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 50780712 Cc1cc(OCc2ccccc2Br)c(C)c2[C@@H]3OC(=O)C(=C)[C@@H]3CCc12 InChI=1S/C22H21BrO3/c1-12-10-19(25-11-15-6-4-5-7-18(15)23)14(3)20-16(12)8-9-17-13(2)22(24)26-21(17)20/h4-7,10,17,21H,2,8-9,11H2,1,3H3/t17-,21+/m0/s1 IRBNWCSCHCJSLT-LAUBAEHRSA-N 50249751 CHEMBL4080789 Ubiquitin-conjugating enzyme E2 D3 283 ChEMBL 10.1021/acs.jmedchem.6b01829 10.7270/Q2SX6GP3 28696694 Chen, H; Wu, G; Gao, S; Guo, R; Zhao, Z; Yuan, H; Liu, S; Wu, J; Lu, X; Yuan, X; Yu, Z; Zu, X; Xie, N; Yang, N; Hu, Z; Sun, Q; Zhang, W Second Military Medical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249751 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007451&target=Ubiquitin-conjugating+enzyme+E2+D3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249751&enzyme=Ubiquitin-conjugating+enzyme+E2+D3&column=ki&startPg=0&Increment=50&submit=Search 132585258 401961721 1 MALKRINKELSDLARDPPAQCSAGPVGDDMFHWQATIMGPNDSPYQGGVFFLTIHFPTDYPFKPPKVAFTTRIYHPNINSNGSICLDILRSQWSPALTISKVLLSICSLLCDPNPDDPLVPEIARIYKTDRDKYNRISREWTQKYAM 1X23,2FUH,3L1Z,3RPG,4R8P,4S3O,4V3L,5EGG,5IFR,5MNJ,5VZW,7LYB Ubiquitin-conjugating enzyme E2 D3 UB2D3_HUMAN P61077 A6NJ93 A6NJB1 A6NM99 P47986 Q6IB88 Q6NXS4 Q8N924 50780718 C[C@H]1[C@H](CC[C@]2(C)CC[C@@H]3[C@H](OC(=O)C3=C)C12)OC(=O)c1cccc(I)c1 InChI=1S/C22H25IO4/c1-12-16-7-9-22(3)10-8-17(13(2)18(22)19(16)27-20(12)24)26-21(25)14-5-4-6-15(23)11-14/h4-6,11,13,16-19H,1,7-10H2,2-3H3/t13-,16-,17-,18?,19-,22-/m0/s1 JRYWADOKJRTPCP-ZRKBWRQMSA-N 50249752 CHEMBL4098033 Ubiquitin-conjugating enzyme E2 D3 6400 ChEMBL 10.1021/acs.jmedchem.6b01829 10.7270/Q2SX6GP3 28696694 Chen, H; Wu, G; Gao, S; Guo, R; Zhao, Z; Yuan, H; Liu, S; Wu, J; Lu, X; Yuan, X; Yu, Z; Zu, X; Xie, N; Yang, N; Hu, Z; Sun, Q; Zhang, W Second Military Medical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249752 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007451&target=Ubiquitin-conjugating+enzyme+E2+D3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249752&enzyme=Ubiquitin-conjugating+enzyme+E2+D3&column=ki&startPg=0&Increment=50&submit=Search 137661799 401961722 1 MALKRINKELSDLARDPPAQCSAGPVGDDMFHWQATIMGPNDSPYQGGVFFLTIHFPTDYPFKPPKVAFTTRIYHPNINSNGSICLDILRSQWSPALTISKVLLSICSLLCDPNPDDPLVPEIARIYKTDRDKYNRISREWTQKYAM 1X23,2FUH,3L1Z,3RPG,4R8P,4S3O,4V3L,5EGG,5IFR,5MNJ,5VZW,7LYB Ubiquitin-conjugating enzyme E2 D3 UB2D3_HUMAN P61077 A6NJ93 A6NJB1 A6NM99 P47986 Q6IB88 Q6NXS4 Q8N924 50780719 C[C@H]1CC[C@@H](O)[C@]2(C)C[C@H]3OC(=O)C(=C)[C@H]3C=C12 InChI=1S/C15H20O3/c1-8-4-5-13(16)15(3)7-12-10(6-11(8)15)9(2)14(17)18-12/h6,8,10,12-13,16H,2,4-5,7H2,1,3H3/t8-,10+,12+,13+,15+/m0/s1 FRNIMDDQCZHAFA-SCFTVSGOSA-N 50249753 CHEMBL4082171 Ubiquitin-conjugating enzyme E2 D3 2580 ChEMBL 10.1021/acs.jmedchem.6b01829 10.7270/Q2SX6GP3 28696694 Chen, H; Wu, G; Gao, S; Guo, R; Zhao, Z; Yuan, H; Liu, S; Wu, J; Lu, X; Yuan, X; Yu, Z; Zu, X; Xie, N; Yang, N; Hu, Z; Sun, Q; Zhang, W Second Military Medical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249753 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007451&target=Ubiquitin-conjugating+enzyme+E2+D3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249753&enzyme=Ubiquitin-conjugating+enzyme+E2+D3&column=ki&startPg=0&Increment=50&submit=Search BX0 7X68 71573444 401961723 1 MALKRINKELSDLARDPPAQCSAGPVGDDMFHWQATIMGPNDSPYQGGVFFLTIHFPTDYPFKPPKVAFTTRIYHPNINSNGSICLDILRSQWSPALTISKVLLSICSLLCDPNPDDPLVPEIARIYKTDRDKYNRISREWTQKYAM 1X23,2FUH,3L1Z,3RPG,4R8P,4S3O,4V3L,5EGG,5IFR,5MNJ,5VZW,7LYB Ubiquitin-conjugating enzyme E2 D3 UB2D3_HUMAN P61077 A6NJ93 A6NJB1 A6NM99 P47986 Q6IB88 Q6NXS4 Q8N924 50780720 CC(=O)O[C@]1(C)CC[C@@H]2[C@H](OC(=O)C2=C)C2=C(C)[C@H](CC12)OC(=O)c1ccc(Cl)cc1 InChI=1S/C24H25ClO6/c1-12-17-9-10-24(4,31-14(3)26)18-11-19(13(2)20(18)21(17)30-22(12)27)29-23(28)15-5-7-16(25)8-6-15/h5-8,17-19,21H,1,9-11H2,2-4H3/t17-,18?,19-,21-,24+/m0/s1 IZZXTCCQWMFDNQ-PCNUEWBOSA-N 50249760 CHEMBL4100955 Ubiquitin-conjugating enzyme E2 D3 3640 ChEMBL 10.1021/acs.jmedchem.6b01829 10.7270/Q2SX6GP3 28696694 Chen, H; Wu, G; Gao, S; Guo, R; Zhao, Z; Yuan, H; Liu, S; Wu, J; Lu, X; Yuan, X; Yu, Z; Zu, X; Xie, N; Yang, N; Hu, Z; Sun, Q; Zhang, W Second Military Medical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249760 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007451&target=Ubiquitin-conjugating+enzyme+E2+D3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249760&enzyme=Ubiquitin-conjugating+enzyme+E2+D3&column=ki&startPg=0&Increment=50&submit=Search 137659134 401961724 1 MALKRINKELSDLARDPPAQCSAGPVGDDMFHWQATIMGPNDSPYQGGVFFLTIHFPTDYPFKPPKVAFTTRIYHPNINSNGSICLDILRSQWSPALTISKVLLSICSLLCDPNPDDPLVPEIARIYKTDRDKYNRISREWTQKYAM 1X23,2FUH,3L1Z,3RPG,4R8P,4S3O,4V3L,5EGG,5IFR,5MNJ,5VZW,7LYB Ubiquitin-conjugating enzyme E2 D3 UB2D3_HUMAN P61077 A6NJ93 A6NJB1 A6NM99 P47986 Q6IB88 Q6NXS4 Q8N924 50780723 C[C@H]1[C@H](CC[C@]2(C)CC[C@@H]3[C@H](OC(=O)C3=C)C12)OC(=O)c1ccc(I)cc1 InChI=1S/C22H25IO4/c1-12-16-8-10-22(3)11-9-17(13(2)18(22)19(16)27-20(12)24)26-21(25)14-4-6-15(23)7-5-14/h4-7,13,16-19H,1,8-11H2,2-3H3/t13-,16-,17-,18?,19-,22-/m0/s1 WIDZLEJKGJJVCL-ZRKBWRQMSA-N 50249761 CHEMBL4071335 Ubiquitin-conjugating enzyme E2 D3 353 ChEMBL 10.1021/acs.jmedchem.6b01829 10.7270/Q2SX6GP3 28696694 Chen, H; Wu, G; Gao, S; Guo, R; Zhao, Z; Yuan, H; Liu, S; Wu, J; Lu, X; Yuan, X; Yu, Z; Zu, X; Xie, N; Yang, N; Hu, Z; Sun, Q; Zhang, W Second Military Medical University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50249761 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007451&target=Ubiquitin-conjugating+enzyme+E2+D3&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50249761&enzyme=Ubiquitin-conjugating+enzyme+E2+D3&column=ki&startPg=0&Increment=50&submit=Search 137638077 401961725 1 MALKRINKELSDLARDPPAQCSAGPVGDDMFHWQATIMGPNDSPYQGGVFFLTIHFPTDYPFKPPKVAFTTRIYHPNINSNGSICLDILRSQWSPALTISKVLLSICSLLCDPNPDDPLVPEIARIYKTDRDKYNRISREWTQKYAM 1X23,2FUH,3L1Z,3RPG,4R8P,4S3O,4V3L,5EGG,5IFR,5MNJ,5VZW,7LYB Ubiquitin-conjugating enzyme E2 D3 UB2D3_HUMAN P61077 A6NJ93 A6NJB1 A6NM99 P47986 Q6IB88 Q6NXS4 Q8N924