BindingDB Reactant_set_id Ligand SMILES Ligand InChI Ligand InChI Key BindingDB MonomerID BindingDB Ligand Name Target Name Target Source Organism According to Curator or DataSource Ki (nM) IC50 (nM) Kd (nM) EC50 (nM) kon (M-1-s-1) koff (s-1) pH Temp (C) Curation/DataSource Article DOI BindingDB Entry DOI PMID PubChem AID Patent Number Authors Institution Link to Ligand in BindingDB Link to Target in BindingDB Link to Ligand-Target Pair in BindingDB Ligand HET ID in PDB PDB ID(s) for Ligand-Target Complex PubChem CID of Ligand PubChem SID of Ligand ChEBI ID of Ligand ChEMBL ID of Ligand DrugBank ID of Ligand IUPHAR_GRAC ID of Ligand KEGG ID of Ligand ZINC ID of Ligand Number of Protein Chains in Target (>1 implies a multichain complex) BindingDB Target Chain Sequence PDB ID(s) of Target Chain UniProt (SwissProt) Recommended Name of Target Chain UniProt (SwissProt) Entry Name of Target Chain UniProt (SwissProt) Primary ID of Target Chain UniProt (SwissProt) Secondary ID(s) of Target Chain UniProt (SwissProt) Alternative ID(s) of Target Chain UniProt (TrEMBL) Submitted Name of Target Chain UniProt (TrEMBL) Entry Name of Target Chain UniProt (TrEMBL) Primary ID of Target Chain UniProt (TrEMBL) Secondary ID(s) of Target Chain UniProt (TrEMBL) Alternative ID(s) of Target Chain 46475 O=C(Nc1ccccc1)Nc1ccccc1 InChI=1S/C13H12N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16) GWEHVDNNLFDJLR-UHFFFAOYSA-N 25725 1,3-diphenylurea::Urea-based compound, 7 Epoxide hydrolase B Mycobacterium tuberculosis 19 7 30.00 C Curated from the literature by BindingDB 10.1016/j.jmb.2008.06.030 10.7270/Q2D50K94 18585390 aid1798579 Biswal, BK; Morisseau, C; Garen, G; Cherney, MM; Garen, C; Niu, C; Hammock, BD; James, MN University of Alberta http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25725 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2887&target=Epoxide+hydrolase+B&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25725&enzyme=Epoxide+hydrolase+B&column=ki&startPg=0&Increment=50&submit=Search BSU 5AI5,3E85,5CW2,2ZJF 7595 56413013 41320 DB07496 ZINC12416741 1 MSQVHRILNCRGTRIHAVADSPPDQQGPLVVLLHGFPESWYSWRHQIPALAGAGYRVVAIDQRGYGRSSKYRVQKAYRIKELVGDVVGVLDSYGAEQAFVVGHDWGAPVAWTFAWLHPDRCAGVVGISVPFAGRGVIGLPGSPFGERRPSDYHLELAGPGRVWYQDYFAVQDGIITEIEEDLRGWLLGLTYTVSGEGMMAATKAAVDAGVDLESMDPIDVIRAGPLCMAEGARLKDAFVYPETMPAWFTEADLDFYTGEFERSGFGGPLSFYHNIDNDWHDLADQQGKPLTPPALFIGGQYDVGTIWGAQAIERAHEVMPNYRGTHMIADVGHWIQQEAPEETNRLLLDFLGGLRP Epoxide hydrolase B EPHB_MYCTO P95276 F2GGS7 Q7D7R2 46476 COc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 InChI=1S/C14H12Cl2N2O2/c1-20-11-5-2-9(3-6-11)17-14(19)18-10-4-7-12(15)13(16)8-10/h2-8H,1H3,(H2,17,18,19) VMXUECFVYARUGP-UHFFFAOYSA-N 25727 3-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)urea::Urea-based compound, 8 Epoxide hydrolase B Mycobacterium tuberculosis 460 7 30.00 C Curated from the literature by BindingDB 10.1016/j.jmb.2008.06.030 10.7270/Q2D50K94 18585390 aid1798579 Biswal, BK; Morisseau, C; Garen, G; Cherney, MM; Garen, C; Niu, C; Hammock, BD; James, MN University of Alberta http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25727 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2887&target=Epoxide+hydrolase+B&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25727&enzyme=Epoxide+hydrolase+B&column=ki&startPg=0&Increment=50&submit=Search 853588 56413015 ZINC00392858 1 MSQVHRILNCRGTRIHAVADSPPDQQGPLVVLLHGFPESWYSWRHQIPALAGAGYRVVAIDQRGYGRSSKYRVQKAYRIKELVGDVVGVLDSYGAEQAFVVGHDWGAPVAWTFAWLHPDRCAGVVGISVPFAGRGVIGLPGSPFGERRPSDYHLELAGPGRVWYQDYFAVQDGIITEIEEDLRGWLLGLTYTVSGEGMMAATKAAVDAGVDLESMDPIDVIRAGPLCMAEGARLKDAFVYPETMPAWFTEADLDFYTGEFERSGFGGPLSFYHNIDNDWHDLADQQGKPLTPPALFIGGQYDVGTIWGAQAIERAHEVMPNYRGTHMIADVGHWIQQEAPEETNRLLLDFLGGLRP Epoxide hydrolase B EPHB_MYCTO P95276 F2GGS7 Q7D7R2 46477 Clc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 InChI=1S/C13H10Cl2N2O/c14-9-1-5-11(6-2-9)16-13(18)17-12-7-3-10(15)4-8-12/h1-8H,(H2,16,17,18) ZNQCSLYENQIUMJ-UHFFFAOYSA-N 25728 1,3-bis(4-chlorophenyl)urea::Urea-based compound, 9 Epoxide hydrolase B Mycobacterium tuberculosis 170 7 30.00 C Curated from the literature by BindingDB 10.1016/j.jmb.2008.06.030 10.7270/Q2D50K94 18585390 aid1798579 Biswal, BK; Morisseau, C; Garen, G; Cherney, MM; Garen, C; Niu, C; Hammock, BD; James, MN University of Alberta http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25728 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2887&target=Epoxide+hydrolase+B&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25728&enzyme=Epoxide+hydrolase+B&column=ki&startPg=0&Increment=50&submit=Search 94996 56413016 ZINC00084701 1 MSQVHRILNCRGTRIHAVADSPPDQQGPLVVLLHGFPESWYSWRHQIPALAGAGYRVVAIDQRGYGRSSKYRVQKAYRIKELVGDVVGVLDSYGAEQAFVVGHDWGAPVAWTFAWLHPDRCAGVVGISVPFAGRGVIGLPGSPFGERRPSDYHLELAGPGRVWYQDYFAVQDGIITEIEEDLRGWLLGLTYTVSGEGMMAATKAAVDAGVDLESMDPIDVIRAGPLCMAEGARLKDAFVYPETMPAWFTEADLDFYTGEFERSGFGGPLSFYHNIDNDWHDLADQQGKPLTPPALFIGGQYDVGTIWGAQAIERAHEVMPNYRGTHMIADVGHWIQQEAPEETNRLLLDFLGGLRP Epoxide hydrolase B EPHB_MYCTO P95276 F2GGS7 Q7D7R2 46478 Clc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1Cl InChI=1S/C13H8Cl4N2O/c14-9-3-1-7(5-11(9)16)18-13(20)19-8-2-4-10(15)12(17)6-8/h1-6H,(H2,18,19,20) ZDPIZPXVHVYTOK-UHFFFAOYSA-N 25729 1,3-bis(3,4-dichlorophenyl)urea::CHEMBL10835::US8815951, 299::Urea-based compound, 10 Epoxide hydrolase B Mycobacterium tuberculosis 480 7 30.00 C Curated from the literature by BindingDB 10.1016/j.jmb.2008.06.030 10.7270/Q2D50K94 18585390 aid1798579 Biswal, BK; Morisseau, C; Garen, G; Cherney, MM; Garen, C; Niu, C; Hammock, BD; James, MN University of Alberta http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25729 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2887&target=Epoxide+hydrolase+B&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25729&enzyme=Epoxide+hydrolase+B&column=ki&startPg=0&Increment=50&submit=Search 95783 56413017 CHEMBL10835 ZINC00582127 1 MSQVHRILNCRGTRIHAVADSPPDQQGPLVVLLHGFPESWYSWRHQIPALAGAGYRVVAIDQRGYGRSSKYRVQKAYRIKELVGDVVGVLDSYGAEQAFVVGHDWGAPVAWTFAWLHPDRCAGVVGISVPFAGRGVIGLPGSPFGERRPSDYHLELAGPGRVWYQDYFAVQDGIITEIEEDLRGWLLGLTYTVSGEGMMAATKAAVDAGVDLESMDPIDVIRAGPLCMAEGARLKDAFVYPETMPAWFTEADLDFYTGEFERSGFGGPLSFYHNIDNDWHDLADQQGKPLTPPALFIGGQYDVGTIWGAQAIERAHEVMPNYRGTHMIADVGHWIQQEAPEETNRLLLDFLGGLRP Epoxide hydrolase B EPHB_MYCTO P95276 F2GGS7 Q7D7R2 46479 Clc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 InChI=1S/C13H9Cl3N2O/c14-8-1-3-9(4-2-8)17-13(19)18-10-5-6-11(15)12(16)7-10/h1-7H,(H2,17,18,19) ICUTUKXCWQYESQ-UHFFFAOYSA-N 25730 3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)urea::US10383835, Compound 295::US8815951, 3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)urea::Urea-based compound, 11::cid_7547 Epoxide hydrolase B Mycobacterium tuberculosis 220 7 30.00 C Curated from the literature by BindingDB 10.1016/j.jmb.2008.06.030 10.7270/Q2D50K94 18585390 aid1798579 Biswal, BK; Morisseau, C; Garen, G; Cherney, MM; Garen, C; Niu, C; Hammock, BD; James, MN University of Alberta http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25730 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2887&target=Epoxide+hydrolase+B&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25730&enzyme=Epoxide+hydrolase+B&column=ki&startPg=0&Increment=50&submit=Search 9EG 5VL2,5VM6,5VM0 7547 56413018 48347 ZINC00121480 1 MSQVHRILNCRGTRIHAVADSPPDQQGPLVVLLHGFPESWYSWRHQIPALAGAGYRVVAIDQRGYGRSSKYRVQKAYRIKELVGDVVGVLDSYGAEQAFVVGHDWGAPVAWTFAWLHPDRCAGVVGISVPFAGRGVIGLPGSPFGERRPSDYHLELAGPGRVWYQDYFAVQDGIITEIEEDLRGWLLGLTYTVSGEGMMAATKAAVDAGVDLESMDPIDVIRAGPLCMAEGARLKDAFVYPETMPAWFTEADLDFYTGEFERSGFGGPLSFYHNIDNDWHDLADQQGKPLTPPALFIGGQYDVGTIWGAQAIERAHEVMPNYRGTHMIADVGHWIQQEAPEETNRLLLDFLGGLRP Epoxide hydrolase B EPHB_MYCTO P95276 F2GGS7 Q7D7R2 46480 O=C(NC1CCCCC1)NC1CCCCC1 InChI=1S/C13H24N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16) ADFXKUOMJKEIND-UHFFFAOYSA-N 25731 1,3-dicyclohexylurea::CHEMBL1458::US8815951, 1,3-dicyclohexylurea::Urea-based compound, 12 Epoxide hydrolase B Mycobacterium tuberculosis 290 7 30.00 C Curated from the literature by BindingDB 10.1016/j.jmb.2008.06.030 10.7270/Q2D50K94 18585390 aid1798579 Biswal, BK; Morisseau, C; Garen, G; Cherney, MM; Garen, C; Niu, C; Hammock, BD; James, MN University of Alberta http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25731 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2887&target=Epoxide+hydrolase+B&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25731&enzyme=Epoxide+hydrolase+B&column=ki&startPg=0&Increment=50&submit=Search DCW 1E79,2XQT,3AOU,4RI3,2DYS,3U32,2DB4 4277 56413019 CHEMBL1458 ZINC00157375 1 MSQVHRILNCRGTRIHAVADSPPDQQGPLVVLLHGFPESWYSWRHQIPALAGAGYRVVAIDQRGYGRSSKYRVQKAYRIKELVGDVVGVLDSYGAEQAFVVGHDWGAPVAWTFAWLHPDRCAGVVGISVPFAGRGVIGLPGSPFGERRPSDYHLELAGPGRVWYQDYFAVQDGIITEIEEDLRGWLLGLTYTVSGEGMMAATKAAVDAGVDLESMDPIDVIRAGPLCMAEGARLKDAFVYPETMPAWFTEADLDFYTGEFERSGFGGPLSFYHNIDNDWHDLADQQGKPLTPPALFIGGQYDVGTIWGAQAIERAHEVMPNYRGTHMIADVGHWIQQEAPEETNRLLLDFLGGLRP Epoxide hydrolase B EPHB_MYCTO P95276 F2GGS7 Q7D7R2 46481 O=C(NC1CCCCC1)NC12CC3CC(CC(C3)C1)C2 InChI=1S/C17H28N2O/c20-16(18-15-4-2-1-3-5-15)19-17-9-12-6-13(10-17)8-14(7-12)11-17/h12-15H,1-11H2,(H2,18,19,20) VESXWSWSGQONHC-UHFFFAOYSA-N 25732 3-adamantan-1-yl-1-cyclohexylurea::CHEMBL242255::US8815951, 192::Urea-based compound, 13 Epoxide hydrolase B Mycobacterium tuberculosis 130 7 30.00 C Curated from the literature by BindingDB 10.1016/j.jmb.2008.06.030 10.7270/Q2D50K94 18585390 aid1798579 Biswal, BK; Morisseau, C; Garen, G; Cherney, MM; Garen, C; Niu, C; Hammock, BD; James, MN University of Alberta http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25732 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2887&target=Epoxide+hydrolase+B&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25732&enzyme=Epoxide+hydrolase+B&column=ki&startPg=0&Increment=50&submit=Search 5029871 56413020 CHEMBL242255 ZINC03895072 1 MSQVHRILNCRGTRIHAVADSPPDQQGPLVVLLHGFPESWYSWRHQIPALAGAGYRVVAIDQRGYGRSSKYRVQKAYRIKELVGDVVGVLDSYGAEQAFVVGHDWGAPVAWTFAWLHPDRCAGVVGISVPFAGRGVIGLPGSPFGERRPSDYHLELAGPGRVWYQDYFAVQDGIITEIEEDLRGWLLGLTYTVSGEGMMAATKAAVDAGVDLESMDPIDVIRAGPLCMAEGARLKDAFVYPETMPAWFTEADLDFYTGEFERSGFGGPLSFYHNIDNDWHDLADQQGKPLTPPALFIGGQYDVGTIWGAQAIERAHEVMPNYRGTHMIADVGHWIQQEAPEETNRLLLDFLGGLRP Epoxide hydrolase B EPHB_MYCTO P95276 F2GGS7 Q7D7R2 46482 COC(=O)c1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1O InChI=1S/C19H24N2O4/c1-25-17(23)15-3-2-14(7-16(15)22)20-18(24)21-19-8-11-4-12(9-19)6-13(5-11)10-19/h2-3,7,11-13,22H,4-6,8-10H2,1H3,(H2,20,21,24) PXJSHQUWAKRZPH-UHFFFAOYSA-N 25733 CHEMBL476614::Urea-based compound, 14::methyl 4-[(adamantan-1-ylcarbamoyl)amino]-2-hydroxybenzoate Epoxide hydrolase B Mycobacterium tuberculosis 30 7 30.00 C Curated from the literature by BindingDB 10.1016/j.jmb.2008.06.030 10.7270/Q2D50K94 18585390 aid1798579 Biswal, BK; Morisseau, C; Garen, G; Cherney, MM; Garen, C; Niu, C; Hammock, BD; James, MN University of Alberta http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25733 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2887&target=Epoxide+hydrolase+B&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25733&enzyme=Epoxide+hydrolase+B&column=ki&startPg=0&Increment=50&submit=Search 25093348 56413021 CHEMBL476614 ZINC40403252 1 MSQVHRILNCRGTRIHAVADSPPDQQGPLVVLLHGFPESWYSWRHQIPALAGAGYRVVAIDQRGYGRSSKYRVQKAYRIKELVGDVVGVLDSYGAEQAFVVGHDWGAPVAWTFAWLHPDRCAGVVGISVPFAGRGVIGLPGSPFGERRPSDYHLELAGPGRVWYQDYFAVQDGIITEIEEDLRGWLLGLTYTVSGEGMMAATKAAVDAGVDLESMDPIDVIRAGPLCMAEGARLKDAFVYPETMPAWFTEADLDFYTGEFERSGFGGPLSFYHNIDNDWHDLADQQGKPLTPPALFIGGQYDVGTIWGAQAIERAHEVMPNYRGTHMIADVGHWIQQEAPEETNRLLLDFLGGLRP Epoxide hydrolase B EPHB_MYCTO P95276 F2GGS7 Q7D7R2 46483 OC(=O)CCCNC(=O)NC12CC3CC(CC(C3)C1)C2 InChI=1S/C15H24N2O3/c18-13(19)2-1-3-16-14(20)17-15-7-10-4-11(8-15)6-12(5-10)9-15/h10-12H,1-9H2,(H,18,19)(H2,16,17,20) NJUKVGCFDZUOHB-UHFFFAOYSA-N 25734 4-[(adamantan-1-ylcarbamoyl)amino]butanoic acid::CHEMBL419810::Urea-based compound, 15 Epoxide hydrolase B Mycobacterium tuberculosis 18500 7 30.00 C Curated from the literature by BindingDB 10.1016/j.jmb.2008.06.030 10.7270/Q2D50K94 18585390 aid1798579 Biswal, BK; Morisseau, C; Garen, G; Cherney, MM; Garen, C; Niu, C; Hammock, BD; James, MN University of Alberta http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25734 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2887&target=Epoxide+hydrolase+B&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25734&enzyme=Epoxide+hydrolase+B&column=ki&startPg=0&Increment=50&submit=Search 11425995 56413022 CHEMBL419810 ZINC13560472 1 MSQVHRILNCRGTRIHAVADSPPDQQGPLVVLLHGFPESWYSWRHQIPALAGAGYRVVAIDQRGYGRSSKYRVQKAYRIKELVGDVVGVLDSYGAEQAFVVGHDWGAPVAWTFAWLHPDRCAGVVGISVPFAGRGVIGLPGSPFGERRPSDYHLELAGPGRVWYQDYFAVQDGIITEIEEDLRGWLLGLTYTVSGEGMMAATKAAVDAGVDLESMDPIDVIRAGPLCMAEGARLKDAFVYPETMPAWFTEADLDFYTGEFERSGFGGPLSFYHNIDNDWHDLADQQGKPLTPPALFIGGQYDVGTIWGAQAIERAHEVMPNYRGTHMIADVGHWIQQEAPEETNRLLLDFLGGLRP Epoxide hydrolase B EPHB_MYCTO P95276 F2GGS7 Q7D7R2 46484 OC(=O)CCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 InChI=1S/C17H28N2O3/c20-15(21)4-2-1-3-5-18-16(22)19-17-9-12-6-13(10-17)8-14(7-12)11-17/h12-14H,1-11H2,(H,20,21)(H2,18,19,22) ZNKUWKKIKBMNHZ-UHFFFAOYSA-N 25735 6-[(adamantan-1-ylcarbamoyl)amino]hexanoic acid::CHEMBL219094::Urea-based compound, 16 Epoxide hydrolase B Mycobacterium tuberculosis 16700 7 30.00 C Curated from the literature by BindingDB 10.1016/j.jmb.2008.06.030 10.7270/Q2D50K94 18585390 aid1798579 Biswal, BK; Morisseau, C; Garen, G; Cherney, MM; Garen, C; Niu, C; Hammock, BD; James, MN University of Alberta http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25735 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2887&target=Epoxide+hydrolase+B&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25735&enzyme=Epoxide+hydrolase+B&column=ki&startPg=0&Increment=50&submit=Search 25093349 56413023 CHEMBL219094 ZINC28604515 1 MSQVHRILNCRGTRIHAVADSPPDQQGPLVVLLHGFPESWYSWRHQIPALAGAGYRVVAIDQRGYGRSSKYRVQKAYRIKELVGDVVGVLDSYGAEQAFVVGHDWGAPVAWTFAWLHPDRCAGVVGISVPFAGRGVIGLPGSPFGERRPSDYHLELAGPGRVWYQDYFAVQDGIITEIEEDLRGWLLGLTYTVSGEGMMAATKAAVDAGVDLESMDPIDVIRAGPLCMAEGARLKDAFVYPETMPAWFTEADLDFYTGEFERSGFGGPLSFYHNIDNDWHDLADQQGKPLTPPALFIGGQYDVGTIWGAQAIERAHEVMPNYRGTHMIADVGHWIQQEAPEETNRLLLDFLGGLRP Epoxide hydrolase B EPHB_MYCTO P95276 F2GGS7 Q7D7R2 46485 OC(=O)CCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 InChI=1S/C19H32N2O3/c22-17(23)6-4-2-1-3-5-7-20-18(24)21-19-11-14-8-15(12-19)10-16(9-14)13-19/h14-16H,1-13H2,(H,22,23)(H2,20,21,24) RYHMJMMGACJODF-UHFFFAOYSA-N 25736 8-[(adamantan-1-ylcarbamoyl)amino]octanoic acid::Urea-based compound, 17 Epoxide hydrolase B Mycobacterium tuberculosis 3530 7 30.00 C Curated from the literature by BindingDB 10.1016/j.jmb.2008.06.030 10.7270/Q2D50K94 18585390 aid1798579 Biswal, BK; Morisseau, C; Garen, G; Cherney, MM; Garen, C; Niu, C; Hammock, BD; James, MN University of Alberta http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25736 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2887&target=Epoxide+hydrolase+B&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25736&enzyme=Epoxide+hydrolase+B&column=ki&startPg=0&Increment=50&submit=Search 25093350 56413024 ZINC62232928 1 MSQVHRILNCRGTRIHAVADSPPDQQGPLVVLLHGFPESWYSWRHQIPALAGAGYRVVAIDQRGYGRSSKYRVQKAYRIKELVGDVVGVLDSYGAEQAFVVGHDWGAPVAWTFAWLHPDRCAGVVGISVPFAGRGVIGLPGSPFGERRPSDYHLELAGPGRVWYQDYFAVQDGIITEIEEDLRGWLLGLTYTVSGEGMMAATKAAVDAGVDLESMDPIDVIRAGPLCMAEGARLKDAFVYPETMPAWFTEADLDFYTGEFERSGFGGPLSFYHNIDNDWHDLADQQGKPLTPPALFIGGQYDVGTIWGAQAIERAHEVMPNYRGTHMIADVGHWIQQEAPEETNRLLLDFLGGLRP Epoxide hydrolase B EPHB_MYCTO P95276 F2GGS7 Q7D7R2 46486 OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 InChI=1S/C23H40N2O3/c26-21(27)10-8-6-4-2-1-3-5-7-9-11-24-22(28)25-23-15-18-12-19(16-23)14-20(13-18)17-23/h18-20H,1-17H2,(H,26,27)(H2,24,25,28) XLGSEOAVLVTJDH-UHFFFAOYSA-N 25737 12-[(adamantan-1-ylcarbamoyl)amino]dodecanoic acid::CHEMBL215387::US10383835, Compound 700::Urea-based compound, 18 Epoxide hydrolase B Mycobacterium tuberculosis 1960 7 30.00 C Curated from the literature by BindingDB 10.1016/j.jmb.2008.06.030 10.7270/Q2D50K94 18585390 aid1798579 Biswal, BK; Morisseau, C; Garen, G; Cherney, MM; Garen, C; Niu, C; Hammock, BD; James, MN University of Alberta http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25737 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2887&target=Epoxide+hydrolase+B&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25737&enzyme=Epoxide+hydrolase+B&column=ki&startPg=0&Increment=50&submit=Search 10069117 56413025 CHEMBL215387 ZINC27645646 1 MSQVHRILNCRGTRIHAVADSPPDQQGPLVVLLHGFPESWYSWRHQIPALAGAGYRVVAIDQRGYGRSSKYRVQKAYRIKELVGDVVGVLDSYGAEQAFVVGHDWGAPVAWTFAWLHPDRCAGVVGISVPFAGRGVIGLPGSPFGERRPSDYHLELAGPGRVWYQDYFAVQDGIITEIEEDLRGWLLGLTYTVSGEGMMAATKAAVDAGVDLESMDPIDVIRAGPLCMAEGARLKDAFVYPETMPAWFTEADLDFYTGEFERSGFGGPLSFYHNIDNDWHDLADQQGKPLTPPALFIGGQYDVGTIWGAQAIERAHEVMPNYRGTHMIADVGHWIQQEAPEETNRLLLDFLGGLRP Epoxide hydrolase B EPHB_MYCTO P95276 F2GGS7 Q7D7R2 46487 CCOCCOCCOCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 InChI=1S/C22H40N2O4/c1-2-26-8-9-28-11-10-27-7-5-3-4-6-23-21(25)24-22-15-18-12-19(16-22)14-20(13-18)17-22/h18-20H,2-17H2,1H3,(H2,23,24,25) NBKGUPAYHLZPHD-UHFFFAOYSA-N 25738 1-adamantan-1-yl-3-{5-[2-(2-ethoxyethoxy)ethoxy]pentyl}urea::CHEMBL242655::US10383835, Compound 950::Urea-based compound, 19 Epoxide hydrolase B Mycobacterium tuberculosis 8200 7 30.00 C Curated from the literature by BindingDB 10.1016/j.jmb.2008.06.030 10.7270/Q2D50K94 18585390 aid1798579 Biswal, BK; Morisseau, C; Garen, G; Cherney, MM; Garen, C; Niu, C; Hammock, BD; James, MN University of Alberta http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25738 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2887&target=Epoxide+hydrolase+B&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25738&enzyme=Epoxide+hydrolase+B&column=ki&startPg=0&Increment=50&submit=Search 11280933 56413026 CHEMBL242655 ZINC28710601 1 MSQVHRILNCRGTRIHAVADSPPDQQGPLVVLLHGFPESWYSWRHQIPALAGAGYRVVAIDQRGYGRSSKYRVQKAYRIKELVGDVVGVLDSYGAEQAFVVGHDWGAPVAWTFAWLHPDRCAGVVGISVPFAGRGVIGLPGSPFGERRPSDYHLELAGPGRVWYQDYFAVQDGIITEIEEDLRGWLLGLTYTVSGEGMMAATKAAVDAGVDLESMDPIDVIRAGPLCMAEGARLKDAFVYPETMPAWFTEADLDFYTGEFERSGFGGPLSFYHNIDNDWHDLADQQGKPLTPPALFIGGQYDVGTIWGAQAIERAHEVMPNYRGTHMIADVGHWIQQEAPEETNRLLLDFLGGLRP Epoxide hydrolase B EPHB_MYCTO P95276 F2GGS7 Q7D7R2 46488 OC(=O)c1ccc(OC2CCC(CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 InChI=1S/C24H32N2O4/c27-22(28)18-1-5-20(6-2-18)30-21-7-3-19(4-8-21)25-23(29)26-24-12-15-9-16(13-24)11-17(10-15)14-24/h1-2,5-6,15-17,19,21H,3-4,7-14H2,(H,27,28)(H2,25,26,29) KNBWKJBQDAQARU-UHFFFAOYSA-N 25739 4-({4-[(adamantan-1-ylcarbamoyl)amino]cyclohexyl}oxy)benzoic acid::US10383835, Compound 1471::Urea-based compound, 20::Urea-based compound, 21 Epoxide hydrolase B Mycobacterium tuberculosis >100000 7 30.00 C Curated from the literature by BindingDB 10.1016/j.jmb.2008.06.030 10.7270/Q2D50K94 18585390 aid1798579 Biswal, BK; Morisseau, C; Garen, G; Cherney, MM; Garen, C; Niu, C; Hammock, BD; James, MN University of Alberta http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25739 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2887&target=Epoxide+hydrolase+B&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25739&enzyme=Epoxide+hydrolase+B&column=ki&startPg=0&Increment=50&submit=Search AUB 5AM3,3WKE,6N5H 16038368 56413027 ZINC28710540 1 MSQVHRILNCRGTRIHAVADSPPDQQGPLVVLLHGFPESWYSWRHQIPALAGAGYRVVAIDQRGYGRSSKYRVQKAYRIKELVGDVVGVLDSYGAEQAFVVGHDWGAPVAWTFAWLHPDRCAGVVGISVPFAGRGVIGLPGSPFGERRPSDYHLELAGPGRVWYQDYFAVQDGIITEIEEDLRGWLLGLTYTVSGEGMMAATKAAVDAGVDLESMDPIDVIRAGPLCMAEGARLKDAFVYPETMPAWFTEADLDFYTGEFERSGFGGPLSFYHNIDNDWHDLADQQGKPLTPPALFIGGQYDVGTIWGAQAIERAHEVMPNYRGTHMIADVGHWIQQEAPEETNRLLLDFLGGLRP Epoxide hydrolase B EPHB_MYCTO P95276 F2GGS7 Q7D7R2 46489 OC(=O)c1ccc(OC2CCC(CC2)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 InChI=1S/C24H32N2O4/c27-22(28)18-1-5-20(6-2-18)30-21-7-3-19(4-8-21)25-23(29)26-24-12-15-9-16(13-24)11-17(10-15)14-24/h1-2,5-6,15-17,19,21H,3-4,7-14H2,(H,27,28)(H2,25,26,29) KNBWKJBQDAQARU-UHFFFAOYSA-N 25739 4-({4-[(adamantan-1-ylcarbamoyl)amino]cyclohexyl}oxy)benzoic acid::US10383835, Compound 1471::Urea-based compound, 20::Urea-based compound, 21 Epoxide hydrolase B Mycobacterium tuberculosis 3400 7 30.00 C Curated from the literature by BindingDB 10.1016/j.jmb.2008.06.030 10.7270/Q2D50K94 18585390 aid1798579 Biswal, BK; Morisseau, C; Garen, G; Cherney, MM; Garen, C; Niu, C; Hammock, BD; James, MN University of Alberta http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25739 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2887&target=Epoxide+hydrolase+B&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25739&enzyme=Epoxide+hydrolase+B&column=ki&startPg=0&Increment=50&submit=Search AUB 5AM3,3WKE,6N5H 16038368 56413027 ZINC28710540 1 MSQVHRILNCRGTRIHAVADSPPDQQGPLVVLLHGFPESWYSWRHQIPALAGAGYRVVAIDQRGYGRSSKYRVQKAYRIKELVGDVVGVLDSYGAEQAFVVGHDWGAPVAWTFAWLHPDRCAGVVGISVPFAGRGVIGLPGSPFGERRPSDYHLELAGPGRVWYQDYFAVQDGIITEIEEDLRGWLLGLTYTVSGEGMMAATKAAVDAGVDLESMDPIDVIRAGPLCMAEGARLKDAFVYPETMPAWFTEADLDFYTGEFERSGFGGPLSFYHNIDNDWHDLADQQGKPLTPPALFIGGQYDVGTIWGAQAIERAHEVMPNYRGTHMIADVGHWIQQEAPEETNRLLLDFLGGLRP Epoxide hydrolase B EPHB_MYCTO P95276 F2GGS7 Q7D7R2 46490 OC(=O)c1ccc(OC2CCC(CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 InChI=1S/C21H21F3N2O5/c22-21(23,24)31-18-11-5-15(6-12-18)26-20(29)25-14-3-9-17(10-4-14)30-16-7-1-13(2-8-16)19(27)28/h1-2,5-8,11-12,14,17H,3-4,9-10H2,(H,27,28)(H2,25,26,29) XDVFKCZZXOGEMN-UHFFFAOYSA-N 25741 4-{[4-({[4-(trifluoromethoxy)phenyl]carbamoyl}amino)cyclohexyl]oxy}benzoic acid::US10383835, Compound 1728::Urea-based compound, 22 Epoxide hydrolase B Mycobacterium tuberculosis 12100 7 30.00 C Curated from the literature by BindingDB 10.1016/j.jmb.2008.06.030 10.7270/Q2D50K94 18585390 aid1798579 Biswal, BK; Morisseau, C; Garen, G; Cherney, MM; Garen, C; Niu, C; Hammock, BD; James, MN University of Alberta http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25741 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2887&target=Epoxide+hydrolase+B&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25741&enzyme=Epoxide+hydrolase+B&column=ki&startPg=0&Increment=50&submit=Search BXV 6AUM 16756850 56413029 ZINC36388978 1 MSQVHRILNCRGTRIHAVADSPPDQQGPLVVLLHGFPESWYSWRHQIPALAGAGYRVVAIDQRGYGRSSKYRVQKAYRIKELVGDVVGVLDSYGAEQAFVVGHDWGAPVAWTFAWLHPDRCAGVVGISVPFAGRGVIGLPGSPFGERRPSDYHLELAGPGRVWYQDYFAVQDGIITEIEEDLRGWLLGLTYTVSGEGMMAATKAAVDAGVDLESMDPIDVIRAGPLCMAEGARLKDAFVYPETMPAWFTEADLDFYTGEFERSGFGGPLSFYHNIDNDWHDLADQQGKPLTPPALFIGGQYDVGTIWGAQAIERAHEVMPNYRGTHMIADVGHWIQQEAPEETNRLLLDFLGGLRP Epoxide hydrolase B EPHB_MYCTO P95276 F2GGS7 Q7D7R2 46491 Fc1ccc(OC2CCC(CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 InChI=1S/C20H20F4N2O3/c21-13-1-7-16(8-2-13)28-17-9-3-14(4-10-17)25-19(27)26-15-5-11-18(12-6-15)29-20(22,23)24/h1-2,5-8,11-12,14,17H,3-4,9-10H2,(H2,25,26,27) GRVHWWSPQFJFDX-UHFFFAOYSA-N 25742 1-[4-(4-fluorophenoxy)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]urea::Urea-based compound, 23 Epoxide hydrolase B Mycobacterium tuberculosis 2060 7 30.00 C Curated from the literature by BindingDB 10.1016/j.jmb.2008.06.030 10.7270/Q2D50K94 18585390 aid1798579 Biswal, BK; Morisseau, C; Garen, G; Cherney, MM; Garen, C; Niu, C; Hammock, BD; James, MN University of Alberta http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25742 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2887&target=Epoxide+hydrolase+B&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25742&enzyme=Epoxide+hydrolase+B&column=ki&startPg=0&Increment=50&submit=Search 25093351 56413030 ZINC36330773 1 MSQVHRILNCRGTRIHAVADSPPDQQGPLVVLLHGFPESWYSWRHQIPALAGAGYRVVAIDQRGYGRSSKYRVQKAYRIKELVGDVVGVLDSYGAEQAFVVGHDWGAPVAWTFAWLHPDRCAGVVGISVPFAGRGVIGLPGSPFGERRPSDYHLELAGPGRVWYQDYFAVQDGIITEIEEDLRGWLLGLTYTVSGEGMMAATKAAVDAGVDLESMDPIDVIRAGPLCMAEGARLKDAFVYPETMPAWFTEADLDFYTGEFERSGFGGPLSFYHNIDNDWHDLADQQGKPLTPPALFIGGQYDVGTIWGAQAIERAHEVMPNYRGTHMIADVGHWIQQEAPEETNRLLLDFLGGLRP Epoxide hydrolase B EPHB_MYCTO P95276 F2GGS7 Q7D7R2 46492 CC(=O)N1CCC(CC1)NC(=O)NC1CCCCCC1 InChI=1S/C15H27N3O2/c1-12(19)18-10-8-14(9-11-18)17-15(20)16-13-6-4-2-3-5-7-13/h13-14H,2-11H2,1H3,(H2,16,17,20) LTDFSPICBQXVRT-UHFFFAOYSA-N 25743 1-cycloheptyl-3-(1-acetylpiperidin-4-yl)urea::US8501783, 1645::Urea-based compound, 24 Epoxide hydrolase B Mycobacterium tuberculosis 34900 7 30.00 C Curated from the literature by BindingDB 10.1016/j.jmb.2008.06.030 10.7270/Q2D50K94 18585390 aid1798579 Biswal, BK; Morisseau, C; Garen, G; Cherney, MM; Garen, C; Niu, C; Hammock, BD; James, MN University of Alberta http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25743 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2887&target=Epoxide+hydrolase+B&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25743&enzyme=Epoxide+hydrolase+B&column=ki&startPg=0&Increment=50&submit=Search 25073288 56413031 ZINC47639227 1 MSQVHRILNCRGTRIHAVADSPPDQQGPLVVLLHGFPESWYSWRHQIPALAGAGYRVVAIDQRGYGRSSKYRVQKAYRIKELVGDVVGVLDSYGAEQAFVVGHDWGAPVAWTFAWLHPDRCAGVVGISVPFAGRGVIGLPGSPFGERRPSDYHLELAGPGRVWYQDYFAVQDGIITEIEEDLRGWLLGLTYTVSGEGMMAATKAAVDAGVDLESMDPIDVIRAGPLCMAEGARLKDAFVYPETMPAWFTEADLDFYTGEFERSGFGGPLSFYHNIDNDWHDLADQQGKPLTPPALFIGGQYDVGTIWGAQAIERAHEVMPNYRGTHMIADVGHWIQQEAPEETNRLLLDFLGGLRP Epoxide hydrolase B EPHB_MYCTO P95276 F2GGS7 Q7D7R2 46493 CC(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1 InChI=1S/C15H18F3N3O3/c1-10(22)21-8-6-12(7-9-21)20-14(23)19-11-2-4-13(5-3-11)24-15(16,17)18/h2-5,12H,6-9H2,1H3,(H2,19,20,23) UAKAZEQUWPXSOS-UHFFFAOYSA-N 25744 3-(1-acetylpiperidin-4-yl)-1-[4-(trifluoromethoxy)phenyl]urea::US10383835, Compound 1555::US8501783, 1555::Urea-based compound, 25 Epoxide hydrolase B Mycobacterium tuberculosis 31600 7 30.00 C Curated from the literature by BindingDB 10.1016/j.jmb.2008.06.030 10.7270/Q2D50K94 18585390 aid1798579 Biswal, BK; Morisseau, C; Garen, G; Cherney, MM; Garen, C; Niu, C; Hammock, BD; James, MN University of Alberta http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25744 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2887&target=Epoxide+hydrolase+B&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25744&enzyme=Epoxide+hydrolase+B&column=ki&startPg=0&Increment=50&submit=Search 25093352 56413032 ZINC40525693 1 MSQVHRILNCRGTRIHAVADSPPDQQGPLVVLLHGFPESWYSWRHQIPALAGAGYRVVAIDQRGYGRSSKYRVQKAYRIKELVGDVVGVLDSYGAEQAFVVGHDWGAPVAWTFAWLHPDRCAGVVGISVPFAGRGVIGLPGSPFGERRPSDYHLELAGPGRVWYQDYFAVQDGIITEIEEDLRGWLLGLTYTVSGEGMMAATKAAVDAGVDLESMDPIDVIRAGPLCMAEGARLKDAFVYPETMPAWFTEADLDFYTGEFERSGFGGPLSFYHNIDNDWHDLADQQGKPLTPPALFIGGQYDVGTIWGAQAIERAHEVMPNYRGTHMIADVGHWIQQEAPEETNRLLLDFLGGLRP Epoxide hydrolase B EPHB_MYCTO P95276 F2GGS7 Q7D7R2 46494 CS(=O)(=O)N1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1 InChI=1S/C14H18F3N3O4S/c1-25(22,23)20-8-6-11(7-9-20)19-13(21)18-10-2-4-12(5-3-10)24-14(15,16)17/h2-5,11H,6-9H2,1H3,(H2,18,19,21) YORLNOBDSZJFQQ-UHFFFAOYSA-N 25745 3-(1-methanesulfonylpiperidin-4-yl)-1-[4-(trifluoromethoxy)phenyl]urea::US10383835, Compound 1709::US9296693, 55::Urea-based compound, 26 Epoxide hydrolase B Mycobacterium tuberculosis 27900 7 30.00 C Curated from the literature by BindingDB 10.1016/j.jmb.2008.06.030 10.7270/Q2D50K94 18585390 aid1798579 Biswal, BK; Morisseau, C; Garen, G; Cherney, MM; Garen, C; Niu, C; Hammock, BD; James, MN University of Alberta http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25745 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2887&target=Epoxide+hydrolase+B&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25745&enzyme=Epoxide+hydrolase+B&column=ki&startPg=0&Increment=50&submit=Search 25093353 56413033 ZINC36388979 1 MSQVHRILNCRGTRIHAVADSPPDQQGPLVVLLHGFPESWYSWRHQIPALAGAGYRVVAIDQRGYGRSSKYRVQKAYRIKELVGDVVGVLDSYGAEQAFVVGHDWGAPVAWTFAWLHPDRCAGVVGISVPFAGRGVIGLPGSPFGERRPSDYHLELAGPGRVWYQDYFAVQDGIITEIEEDLRGWLLGLTYTVSGEGMMAATKAAVDAGVDLESMDPIDVIRAGPLCMAEGARLKDAFVYPETMPAWFTEADLDFYTGEFERSGFGGPLSFYHNIDNDWHDLADQQGKPLTPPALFIGGQYDVGTIWGAQAIERAHEVMPNYRGTHMIADVGHWIQQEAPEETNRLLLDFLGGLRP Epoxide hydrolase B EPHB_MYCTO P95276 F2GGS7 Q7D7R2 50656128 O=C(Nc1ccccc1)Nc1ccccc1 InChI=1S/C13H12N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16) GWEHVDNNLFDJLR-UHFFFAOYSA-N 25725 1,3-diphenylurea::Urea-based compound, 7 Epoxide hydrolase B Mycobacterium tuberculosis 19 ChEMBL 10.1016/j.bmc.2011.07.034 10.7270/Q2V69JZ1 21840723 Brown, JR; North, EJ; Hurdle, JG; Morisseau, C; Scarborough, JS; Sun, D; Kordulakova, J; Scherman, MS; Jones, V; Grzegorzewicz, A; Crew, RM; Jackson, M; McNeil, MR; Lee, RE St. Jude Children's Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25725 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2887&target=Epoxide+hydrolase+B&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25725&enzyme=Epoxide+hydrolase+B&column=ki&startPg=0&Increment=50&submit=Search BSU 5AI5,3E85,5CW2,2ZJF 7595 56413013 41320 DB07496 ZINC12416741 1 MSQVHRILNCRGTRIHAVADSPPDQQGPLVVLLHGFPESWYSWRHQIPALAGAGYRVVAIDQRGYGRSSKYRVQKAYRIKELVGDVVGVLDSYGAEQAFVVGHDWGAPVAWTFAWLHPDRCAGVVGISVPFAGRGVIGLPGSPFGERRPSDYHLELAGPGRVWYQDYFAVQDGIITEIEEDLRGWLLGLTYTVSGEGMMAATKAAVDAGVDLESMDPIDVIRAGPLCMAEGARLKDAFVYPETMPAWFTEADLDFYTGEFERSGFGGPLSFYHNIDNDWHDLADQQGKPLTPPALFIGGQYDVGTIWGAQAIERAHEVMPNYRGTHMIADVGHWIQQEAPEETNRLLLDFLGGLRP Epoxide hydrolase B EPHB_MYCTO P95276 F2GGS7 Q7D7R2 50656129 CC(=O)C1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1 InChI=1S/C16H19F3N2O3/c1-10(22)11-2-4-12(5-3-11)20-15(23)21-13-6-8-14(9-7-13)24-16(17,18)19/h6-9,11-12H,2-5H2,1H3,(H2,20,21,23) QLTWMGWHLVAPAS-UHFFFAOYSA-N 50351208 CHEMBL1818421 Epoxide hydrolase B Mycobacterium tuberculosis 31600 ChEMBL 10.1016/j.bmc.2011.07.034 10.7270/Q2V69JZ1 21840723 Brown, JR; North, EJ; Hurdle, JG; Morisseau, C; Scarborough, JS; Sun, D; Kordulakova, J; Scherman, MS; Jones, V; Grzegorzewicz, A; Crew, RM; Jackson, M; McNeil, MR; Lee, RE St. Jude Children's Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50351208 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2887&target=Epoxide+hydrolase+B&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50351208&enzyme=Epoxide+hydrolase+B&column=ki&startPg=0&Increment=50&submit=Search 56659144 136357894 CHEMBL1818421 ZINC72113523 1 MSQVHRILNCRGTRIHAVADSPPDQQGPLVVLLHGFPESWYSWRHQIPALAGAGYRVVAIDQRGYGRSSKYRVQKAYRIKELVGDVVGVLDSYGAEQAFVVGHDWGAPVAWTFAWLHPDRCAGVVGISVPFAGRGVIGLPGSPFGERRPSDYHLELAGPGRVWYQDYFAVQDGIITEIEEDLRGWLLGLTYTVSGEGMMAATKAAVDAGVDLESMDPIDVIRAGPLCMAEGARLKDAFVYPETMPAWFTEADLDFYTGEFERSGFGGPLSFYHNIDNDWHDLADQQGKPLTPPALFIGGQYDVGTIWGAQAIERAHEVMPNYRGTHMIADVGHWIQQEAPEETNRLLLDFLGGLRP Epoxide hydrolase B EPHB_MYCTO P95276 F2GGS7 Q7D7R2 50656130 O=C(NC1CCCCC1)NC12CC3CC(CC(C3)C1)C2 InChI=1S/C17H28N2O/c20-16(18-15-4-2-1-3-5-15)19-17-9-12-6-13(10-17)8-14(7-12)11-17/h12-15H,1-11H2,(H2,18,19,20) VESXWSWSGQONHC-UHFFFAOYSA-N 25732 3-adamantan-1-yl-1-cyclohexylurea::CHEMBL242255::US8815951, 192::Urea-based compound, 13 Epoxide hydrolase B Mycobacterium tuberculosis 130 ChEMBL 10.1016/j.bmc.2011.07.034 10.7270/Q2V69JZ1 21840723 Brown, JR; North, EJ; Hurdle, JG; Morisseau, C; Scarborough, JS; Sun, D; Kordulakova, J; Scherman, MS; Jones, V; Grzegorzewicz, A; Crew, RM; Jackson, M; McNeil, MR; Lee, RE St. Jude Children's Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25732 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2887&target=Epoxide+hydrolase+B&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25732&enzyme=Epoxide+hydrolase+B&column=ki&startPg=0&Increment=50&submit=Search 5029871 56413020 CHEMBL242255 ZINC03895072 1 MSQVHRILNCRGTRIHAVADSPPDQQGPLVVLLHGFPESWYSWRHQIPALAGAGYRVVAIDQRGYGRSSKYRVQKAYRIKELVGDVVGVLDSYGAEQAFVVGHDWGAPVAWTFAWLHPDRCAGVVGISVPFAGRGVIGLPGSPFGERRPSDYHLELAGPGRVWYQDYFAVQDGIITEIEEDLRGWLLGLTYTVSGEGMMAATKAAVDAGVDLESMDPIDVIRAGPLCMAEGARLKDAFVYPETMPAWFTEADLDFYTGEFERSGFGGPLSFYHNIDNDWHDLADQQGKPLTPPALFIGGQYDVGTIWGAQAIERAHEVMPNYRGTHMIADVGHWIQQEAPEETNRLLLDFLGGLRP Epoxide hydrolase B EPHB_MYCTO P95276 F2GGS7 Q7D7R2 50656131 Clc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 InChI=1S/C13H9Cl3N2O/c14-8-1-3-9(4-2-8)17-13(19)18-10-5-6-11(15)12(16)7-10/h1-7H,(H2,17,18,19) ICUTUKXCWQYESQ-UHFFFAOYSA-N 25730 3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)urea::US10383835, Compound 295::US8815951, 3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)urea::Urea-based compound, 11::cid_7547 Epoxide hydrolase B Mycobacterium tuberculosis 220 ChEMBL 10.1016/j.bmc.2011.07.034 10.7270/Q2V69JZ1 21840723 Brown, JR; North, EJ; Hurdle, JG; Morisseau, C; Scarborough, JS; Sun, D; Kordulakova, J; Scherman, MS; Jones, V; Grzegorzewicz, A; Crew, RM; Jackson, M; McNeil, MR; Lee, RE St. Jude Children's Research Hospital http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=25730 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=2887&target=Epoxide+hydrolase+B&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=25730&enzyme=Epoxide+hydrolase+B&column=ki&startPg=0&Increment=50&submit=Search 9EG 5VL2,5VM6,5VM0 7547 56413018 48347 ZINC00121480 1 MSQVHRILNCRGTRIHAVADSPPDQQGPLVVLLHGFPESWYSWRHQIPALAGAGYRVVAIDQRGYGRSSKYRVQKAYRIKELVGDVVGVLDSYGAEQAFVVGHDWGAPVAWTFAWLHPDRCAGVVGISVPFAGRGVIGLPGSPFGERRPSDYHLELAGPGRVWYQDYFAVQDGIITEIEEDLRGWLLGLTYTVSGEGMMAATKAAVDAGVDLESMDPIDVIRAGPLCMAEGARLKDAFVYPETMPAWFTEADLDFYTGEFERSGFGGPLSFYHNIDNDWHDLADQQGKPLTPPALFIGGQYDVGTIWGAQAIERAHEVMPNYRGTHMIADVGHWIQQEAPEETNRLLLDFLGGLRP Epoxide hydrolase B EPHB_MYCTO P95276 F2GGS7 Q7D7R2