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 51027269 CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NO InChI=1S/C24H32N4O4/c1-16(2)13-20(26-22(29)19(25)14-17-9-5-3-6-10-17)23(30)27-21(24(31)28-32)15-18-11-7-4-8-12-18/h3-12,16,19-21,32H,13-15,25H2,1-2H3,(H,26,29)(H,27,30)(H,28,31)/t19-,20-,21-/m0/s1 PDCBRTORNXRNSI-ACRUOGEOSA-N 50420343 CHEMBL2089170 Snake venom metalloproteinase BaP1 500 ChEMBL 10.1021/ml300068r 10.7270/Q2542PVS 24900507 Villalta-Romero, F; Gortat, A; Herrera, AE; Arguedas, R; Quesada, J; de Melo, RL; Calvete, JJ; Montero, M; Murillo, R; Rucavado, A; Gutiérrez, JM; Pérez-Payá, E TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50420343 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006301&target=Snake+venom+metalloproteinase+BaP1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50420343&enzyme=Snake+venom+metalloproteinase+BaP1&column=ki&startPg=0&Increment=50&submit=Search 70689175 163369367 CHEMBL2089170 ZINC84739744 1 MIEVLLVTICLAVFPYQGSSIILESGNVNDYEVVYPRKVTELPKGAVQPKYEDAMQYEFKVNGEPVVLHLEKNKGLFSEDYSETHYSPDGRKIITYPSFEDHCYYHGRIENDADSTASISACNGLKGHFKLQGETYLIEPLKLSDSEAHAVYKYENVEKEDEAPKMCGVTETNWESYEPIKKASQSNLTPEQQRFSPRYIELAVVADHGIFTKYNSNLNTIRTRVHEMLNTVNGFYRSVDVHAPLANLEVWSKQDLIKVQKDSSKTLKSFGEWRERDLLPRISHDHAQLLTAVVFDGNTIGRAYTGGMCDPRHSVGVVRDHSKNNLWVAVTMAHELGHNLGIHHDTGSCSCGAKSCIMASVLSKVLSYEFSDCSQNQYETYLTNHNPQCILNKPLLTVSGNELLEAGE 2W12,2W13,2W14,2W15 Snake venom metalloproteinase BaP1 VM1B1_BOTAS P83512 Q072L4 51027270 CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO InChI=1S/C23H31N3O4S2/c1-15(2)12-17(18(22(28)26-30)14-32-20-10-7-11-31-20)21(27)25-19(23(29)24-3)13-16-8-5-4-6-9-16/h4-11,15,17-19,30H,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t17-,18+,19+/m1/s1 XFILPEOLDIKJHX-QYZOEREBSA-N 50063918 (2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methylcarbamoyl-2-phenyl-ethyl)-3-(thiophen-2-ylsulfanylmethyl)-succinamide::4-(N-HYDROXYAMINO)-2R-ISOBUTYL-2S-(2-THIENYLTHIOMETHYL)SUCCINYL-L-PHENYLALANINE-N-METHYLAMIDE::4-Methyl-2-[1-methyl-2-(thiophen-2-ylsulfanyl)-ethyl]-pentanoic acid (1-methylcarbamoyl-2-phenyl-ethyl)-amide::BATIMASTAT::BB-94::CHEMBL279786::N*4*-Hydroxy-2-isobutyl-N*1*-(1-methylcarbamoyl-2-phenyl-ethyl)-3-(thiophen-2-ylsulfanylmethyl)-succinamide Snake venom metalloproteinase BaP1 1200 ChEMBL 10.1021/ml300068r 10.7270/Q2542PVS 24900507 Villalta-Romero, F; Gortat, A; Herrera, AE; Arguedas, R; Quesada, J; de Melo, RL; Calvete, JJ; Montero, M; Murillo, R; Rucavado, A; Gutiérrez, JM; Pérez-Payá, E TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50063918 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006301&target=Snake+venom+metalloproteinase+BaP1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50063918&enzyme=Snake+venom+metalloproteinase+BaP1&column=ki&startPg=0&Increment=50&submit=Search BAT 1JK3,7W6X,7W6Y,7W6Z,1RM8,4DD8,2J83,2RJQ,1DTH,1MMB 5362422 103959090 CHEMBL279786 DB03880 5145 ZINC03789788 1 MIEVLLVTICLAVFPYQGSSIILESGNVNDYEVVYPRKVTELPKGAVQPKYEDAMQYEFKVNGEPVVLHLEKNKGLFSEDYSETHYSPDGRKIITYPSFEDHCYYHGRIENDADSTASISACNGLKGHFKLQGETYLIEPLKLSDSEAHAVYKYENVEKEDEAPKMCGVTETNWESYEPIKKASQSNLTPEQQRFSPRYIELAVVADHGIFTKYNSNLNTIRTRVHEMLNTVNGFYRSVDVHAPLANLEVWSKQDLIKVQKDSSKTLKSFGEWRERDLLPRISHDHAQLLTAVVFDGNTIGRAYTGGMCDPRHSVGVVRDHSKNNLWVAVTMAHELGHNLGIHHDTGSCSCGAKSCIMASVLSKVLSYEFSDCSQNQYETYLTNHNPQCILNKPLLTVSGNELLEAGE 2W12,2W13,2W14,2W15 Snake venom metalloproteinase BaP1 VM1B1_BOTAS P83512 Q072L4 51027271 CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NO InChI=1S/C21H35N7O4/c1-13(2)11-17(27-18(29)15(22)12-14-7-4-3-5-8-14)19(30)26-16(20(31)28-32)9-6-10-25-21(23)24/h3-5,7-8,13,15-17,32H,6,9-12,22H2,1-2H3,(H,26,30)(H,27,29)(H,28,31)(H4,23,24,25)/t15-,16-,17-/m0/s1 DRLJMSOIEJVVCY-ULQDDVLXSA-N 50420344 CHEMBL2089172 Snake venom metalloproteinase BaP1 4600 ChEMBL 10.1021/ml300068r 10.7270/Q2542PVS 24900507 Villalta-Romero, F; Gortat, A; Herrera, AE; Arguedas, R; Quesada, J; de Melo, RL; Calvete, JJ; Montero, M; Murillo, R; Rucavado, A; Gutiérrez, JM; Pérez-Payá, E TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50420344 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006301&target=Snake+venom+metalloproteinase+BaP1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50420344&enzyme=Snake+venom+metalloproteinase+BaP1&column=ki&startPg=0&Increment=50&submit=Search 70689176 163369368 CHEMBL2089172 ZINC84731082 1 MIEVLLVTICLAVFPYQGSSIILESGNVNDYEVVYPRKVTELPKGAVQPKYEDAMQYEFKVNGEPVVLHLEKNKGLFSEDYSETHYSPDGRKIITYPSFEDHCYYHGRIENDADSTASISACNGLKGHFKLQGETYLIEPLKLSDSEAHAVYKYENVEKEDEAPKMCGVTETNWESYEPIKKASQSNLTPEQQRFSPRYIELAVVADHGIFTKYNSNLNTIRTRVHEMLNTVNGFYRSVDVHAPLANLEVWSKQDLIKVQKDSSKTLKSFGEWRERDLLPRISHDHAQLLTAVVFDGNTIGRAYTGGMCDPRHSVGVVRDHSKNNLWVAVTMAHELGHNLGIHHDTGSCSCGAKSCIMASVLSKVLSYEFSDCSQNQYETYLTNHNPQCILNKPLLTVSGNELLEAGE 2W12,2W13,2W14,2W15 Snake venom metalloproteinase BaP1 VM1B1_BOTAS P83512 Q072L4 51027272 CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NO InChI=1S/C24H32N4O5/c1-15(2)12-20(26-22(30)19(25)13-16-6-4-3-5-7-16)23(31)27-21(24(32)28-33)14-17-8-10-18(29)11-9-17/h3-11,15,19-21,29,33H,12-14,25H2,1-2H3,(H,26,30)(H,27,31)(H,28,32)/t19-,20-,21-/m0/s1 NMHCQKUAHBPADP-ACRUOGEOSA-N 50420345 CHEMBL2089171 Snake venom metalloproteinase BaP1 30900 ChEMBL 10.1021/ml300068r 10.7270/Q2542PVS 24900507 Villalta-Romero, F; Gortat, A; Herrera, AE; Arguedas, R; Quesada, J; de Melo, RL; Calvete, JJ; Montero, M; Murillo, R; Rucavado, A; Gutiérrez, JM; Pérez-Payá, E TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50420345 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006301&target=Snake+venom+metalloproteinase+BaP1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50420345&enzyme=Snake+venom+metalloproteinase+BaP1&column=ki&startPg=0&Increment=50&submit=Search 70697493 163369369 CHEMBL2089171 ZINC84739747 1 MIEVLLVTICLAVFPYQGSSIILESGNVNDYEVVYPRKVTELPKGAVQPKYEDAMQYEFKVNGEPVVLHLEKNKGLFSEDYSETHYSPDGRKIITYPSFEDHCYYHGRIENDADSTASISACNGLKGHFKLQGETYLIEPLKLSDSEAHAVYKYENVEKEDEAPKMCGVTETNWESYEPIKKASQSNLTPEQQRFSPRYIELAVVADHGIFTKYNSNLNTIRTRVHEMLNTVNGFYRSVDVHAPLANLEVWSKQDLIKVQKDSSKTLKSFGEWRERDLLPRISHDHAQLLTAVVFDGNTIGRAYTGGMCDPRHSVGVVRDHSKNNLWVAVTMAHELGHNLGIHHDTGSCSCGAKSCIMASVLSKVLSYEFSDCSQNQYETYLTNHNPQCILNKPLLTVSGNELLEAGE 2W12,2W13,2W14,2W15 Snake venom metalloproteinase BaP1 VM1B1_BOTAS P83512 Q072L4 51027273 CC(C)C[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NO InChI=1S/C26H33N5O4/c1-16(2)12-22(25(33)30-23(26(34)31-35)13-17-8-4-3-5-9-17)29-24(32)20(27)14-18-15-28-21-11-7-6-10-19(18)21/h3-11,15-16,20,22-23,28,35H,12-14,27H2,1-2H3,(H,29,32)(H,30,33)(H,31,34)/t20-,22-,23-/m0/s1 VADJYDCOPHYGLE-PMVMPFDFSA-N 50420346 CHEMBL2089166 Snake venom metalloproteinase BaP1 34200 ChEMBL 10.1021/ml300068r 10.7270/Q2542PVS 24900507 Villalta-Romero, F; Gortat, A; Herrera, AE; Arguedas, R; Quesada, J; de Melo, RL; Calvete, JJ; Montero, M; Murillo, R; Rucavado, A; Gutiérrez, JM; Pérez-Payá, E TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50420346 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006301&target=Snake+venom+metalloproteinase+BaP1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50420346&enzyme=Snake+venom+metalloproteinase+BaP1&column=ki&startPg=0&Increment=50&submit=Search 70684933 163369370 CHEMBL2089166 ZINC84739356 1 MIEVLLVTICLAVFPYQGSSIILESGNVNDYEVVYPRKVTELPKGAVQPKYEDAMQYEFKVNGEPVVLHLEKNKGLFSEDYSETHYSPDGRKIITYPSFEDHCYYHGRIENDADSTASISACNGLKGHFKLQGETYLIEPLKLSDSEAHAVYKYENVEKEDEAPKMCGVTETNWESYEPIKKASQSNLTPEQQRFSPRYIELAVVADHGIFTKYNSNLNTIRTRVHEMLNTVNGFYRSVDVHAPLANLEVWSKQDLIKVQKDSSKTLKSFGEWRERDLLPRISHDHAQLLTAVVFDGNTIGRAYTGGMCDPRHSVGVVRDHSKNNLWVAVTMAHELGHNLGIHHDTGSCSCGAKSCIMASVLSKVLSYEFSDCSQNQYETYLTNHNPQCILNKPLLTVSGNELLEAGE 2W12,2W13,2W14,2W15 Snake venom metalloproteinase BaP1 VM1B1_BOTAS P83512 Q072L4 51027274 CC(C)C[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NO InChI=1S/C26H33N5O5/c1-15(2)11-22(25(34)30-23(26(35)31-36)12-16-7-9-18(32)10-8-16)29-24(33)20(27)13-17-14-28-21-6-4-3-5-19(17)21/h3-10,14-15,20,22-23,28,32,36H,11-13,27H2,1-2H3,(H,29,33)(H,30,34)(H,31,35)/t20-,22-,23-/m0/s1 DZWQLLAUWXWUFB-PMVMPFDFSA-N 50420347 CHEMBL2089168 Snake venom metalloproteinase BaP1 46200 ChEMBL 10.1021/ml300068r 10.7270/Q2542PVS 24900507 Villalta-Romero, F; Gortat, A; Herrera, AE; Arguedas, R; Quesada, J; de Melo, RL; Calvete, JJ; Montero, M; Murillo, R; Rucavado, A; Gutiérrez, JM; Pérez-Payá, E TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50420347 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006301&target=Snake+venom+metalloproteinase+BaP1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50420347&enzyme=Snake+venom+metalloproteinase+BaP1&column=ki&startPg=0&Increment=50&submit=Search 70697492 163369371 CHEMBL2089168 ZINC84739365 1 MIEVLLVTICLAVFPYQGSSIILESGNVNDYEVVYPRKVTELPKGAVQPKYEDAMQYEFKVNGEPVVLHLEKNKGLFSEDYSETHYSPDGRKIITYPSFEDHCYYHGRIENDADSTASISACNGLKGHFKLQGETYLIEPLKLSDSEAHAVYKYENVEKEDEAPKMCGVTETNWESYEPIKKASQSNLTPEQQRFSPRYIELAVVADHGIFTKYNSNLNTIRTRVHEMLNTVNGFYRSVDVHAPLANLEVWSKQDLIKVQKDSSKTLKSFGEWRERDLLPRISHDHAQLLTAVVFDGNTIGRAYTGGMCDPRHSVGVVRDHSKNNLWVAVTMAHELGHNLGIHHDTGSCSCGAKSCIMASVLSKVLSYEFSDCSQNQYETYLTNHNPQCILNKPLLTVSGNELLEAGE 2W12,2W13,2W14,2W15 Snake venom metalloproteinase BaP1 VM1B1_BOTAS P83512 Q072L4 51027275 CC(C)C[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NO InChI=1S/C23H31N7O4/c1-13(2)7-19(22(32)29-20(23(33)30-34)9-15-11-25-12-27-15)28-21(31)17(24)8-14-10-26-18-6-4-3-5-16(14)18/h3-6,10-13,17,19-20,26,34H,7-9,24H2,1-2H3,(H,25,27)(H,28,31)(H,29,32)(H,30,33)/t17-,19-,20-/m0/s1 UOKONXVVADNCNQ-IHPCNDPISA-N 50420348 CHEMBL2089167 Snake venom metalloproteinase BaP1 58400 ChEMBL 10.1021/ml300068r 10.7270/Q2542PVS 24900507 Villalta-Romero, F; Gortat, A; Herrera, AE; Arguedas, R; Quesada, J; de Melo, RL; Calvete, JJ; Montero, M; Murillo, R; Rucavado, A; Gutiérrez, JM; Pérez-Payá, E TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50420348 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006301&target=Snake+venom+metalloproteinase+BaP1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50420348&enzyme=Snake+venom+metalloproteinase+BaP1&column=ki&startPg=0&Increment=50&submit=Search 70695478 163369372 CHEMBL2089167 ZINC84739362 1 MIEVLLVTICLAVFPYQGSSIILESGNVNDYEVVYPRKVTELPKGAVQPKYEDAMQYEFKVNGEPVVLHLEKNKGLFSEDYSETHYSPDGRKIITYPSFEDHCYYHGRIENDADSTASISACNGLKGHFKLQGETYLIEPLKLSDSEAHAVYKYENVEKEDEAPKMCGVTETNWESYEPIKKASQSNLTPEQQRFSPRYIELAVVADHGIFTKYNSNLNTIRTRVHEMLNTVNGFYRSVDVHAPLANLEVWSKQDLIKVQKDSSKTLKSFGEWRERDLLPRISHDHAQLLTAVVFDGNTIGRAYTGGMCDPRHSVGVVRDHSKNNLWVAVTMAHELGHNLGIHHDTGSCSCGAKSCIMASVLSKVLSYEFSDCSQNQYETYLTNHNPQCILNKPLLTVSGNELLEAGE 2W12,2W13,2W14,2W15 Snake venom metalloproteinase BaP1 VM1B1_BOTAS P83512 Q072L4 51027276 COc1ccc2c3CCN=C(C)c3[nH]c2c1 InChI=1S/C13H14N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-4,7,15H,5-6H2,1-2H3 RERZNCLIYCABFS-UHFFFAOYSA-N 50029799 7-Methoxy-1-methyl-2,9-dihydro-1H-beta-carboline::7-Methoxy-1-methyl-4,9-dihydro-3H-beta-carboline::7-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole::CHEMBL2089157::CHEMBL340807::HARMALINE Snake venom metalloproteinase BaP1 70400 ChEMBL 10.1021/ml300068r 10.7270/Q2542PVS 24900507 Villalta-Romero, F; Gortat, A; Herrera, AE; Arguedas, R; Quesada, J; de Melo, RL; Calvete, JJ; Montero, M; Murillo, R; Rucavado, A; Gutiérrez, JM; Pérez-Payá, E TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50029799 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006301&target=Snake+venom+metalloproteinase+BaP1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50029799&enzyme=Snake+venom+metalloproteinase+BaP1&column=ki&startPg=0&Increment=50&submit=Search 5280951 103938819 28172 CHEMBL2089157CHEMBL340807 C06536 ZINC12496083 1 MIEVLLVTICLAVFPYQGSSIILESGNVNDYEVVYPRKVTELPKGAVQPKYEDAMQYEFKVNGEPVVLHLEKNKGLFSEDYSETHYSPDGRKIITYPSFEDHCYYHGRIENDADSTASISACNGLKGHFKLQGETYLIEPLKLSDSEAHAVYKYENVEKEDEAPKMCGVTETNWESYEPIKKASQSNLTPEQQRFSPRYIELAVVADHGIFTKYNSNLNTIRTRVHEMLNTVNGFYRSVDVHAPLANLEVWSKQDLIKVQKDSSKTLKSFGEWRERDLLPRISHDHAQLLTAVVFDGNTIGRAYTGGMCDPRHSVGVVRDHSKNNLWVAVTMAHELGHNLGIHHDTGSCSCGAKSCIMASVLSKVLSYEFSDCSQNQYETYLTNHNPQCILNKPLLTVSGNELLEAGE 2W12,2W13,2W14,2W15 Snake venom metalloproteinase BaP1 VM1B1_BOTAS P83512 Q072L4 51027277 NC(=O)NN=Cc1ccc(o1)[N+]([O-])=O InChI=1S/C6H6N4O4/c7-6(11)9-8-3-4-1-2-5(14-4)10(12)13/h1-3H,(H3,7,9,11) IAIWVQXQOWNYOU-UHFFFAOYSA-N 50420350 Actin-N::Furacilin::Furacin::Furazone::NITROFURAZONE::Nitrofural Snake venom metalloproteinase BaP1 88100 ChEMBL 10.1021/ml300068r 10.7270/Q2542PVS 24900507 Villalta-Romero, F; Gortat, A; Herrera, AE; Arguedas, R; Quesada, J; de Melo, RL; Calvete, JJ; Montero, M; Murillo, R; Rucavado, A; Gutiérrez, JM; Pérez-Payá, E TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50420350 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006301&target=Snake+venom+metalloproteinase+BaP1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50420350&enzyme=Snake+venom+metalloproteinase+BaP1&column=ki&startPg=0&Increment=50&submit=Search NFZ 1YKI,3R6W 5447130 163369374 ZINC00897369 1 MIEVLLVTICLAVFPYQGSSIILESGNVNDYEVVYPRKVTELPKGAVQPKYEDAMQYEFKVNGEPVVLHLEKNKGLFSEDYSETHYSPDGRKIITYPSFEDHCYYHGRIENDADSTASISACNGLKGHFKLQGETYLIEPLKLSDSEAHAVYKYENVEKEDEAPKMCGVTETNWESYEPIKKASQSNLTPEQQRFSPRYIELAVVADHGIFTKYNSNLNTIRTRVHEMLNTVNGFYRSVDVHAPLANLEVWSKQDLIKVQKDSSKTLKSFGEWRERDLLPRISHDHAQLLTAVVFDGNTIGRAYTGGMCDPRHSVGVVRDHSKNNLWVAVTMAHELGHNLGIHHDTGSCSCGAKSCIMASVLSKVLSYEFSDCSQNQYETYLTNHNPQCILNKPLLTVSGNELLEAGE 2W12,2W13,2W14,2W15 Snake venom metalloproteinase BaP1 VM1B1_BOTAS P83512 Q072L4 51027278 COc1cc2CC[n+]3cc4c(OC)c(OC)ccc4cc3-c2cc1OC InChI=1S/C21H22NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,9-12H,7-8H2,1-4H3/q+1 QUCQEUCGKKTEBI-UHFFFAOYSA-N 50292332 2,3,9,10-Tetramethoxy-5,6-dihydro-isoquino[3,2-a]isoquinolinylium; chloride::2,3,9,10-tetramethoxy-5,6-dihydro-isoquino[3,2-a]isoquinolinylium::CHEMBL1270849::CHEMBL2163795::CHEMBL274189::GNF-Pf-4086::PALMATINE Snake venom metalloproteinase BaP1 93300 ChEMBL 10.1021/ml300068r 10.7270/Q2542PVS 24900507 Villalta-Romero, F; Gortat, A; Herrera, AE; Arguedas, R; Quesada, J; de Melo, RL; Calvete, JJ; Montero, M; Murillo, R; Rucavado, A; Gutiérrez, JM; Pérez-Payá, E TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50292332 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006301&target=Snake+venom+metalloproteinase+BaP1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50292332&enzyme=Snake+venom+metalloproteinase+BaP1&column=ki&startPg=0&Increment=50&submit=Search 19009 104133883 16096 CHEMBL2163795CHEMBL274189CHEMBL1270849 C05315 ZINC00608233 1 MIEVLLVTICLAVFPYQGSSIILESGNVNDYEVVYPRKVTELPKGAVQPKYEDAMQYEFKVNGEPVVLHLEKNKGLFSEDYSETHYSPDGRKIITYPSFEDHCYYHGRIENDADSTASISACNGLKGHFKLQGETYLIEPLKLSDSEAHAVYKYENVEKEDEAPKMCGVTETNWESYEPIKKASQSNLTPEQQRFSPRYIELAVVADHGIFTKYNSNLNTIRTRVHEMLNTVNGFYRSVDVHAPLANLEVWSKQDLIKVQKDSSKTLKSFGEWRERDLLPRISHDHAQLLTAVVFDGNTIGRAYTGGMCDPRHSVGVVRDHSKNNLWVAVTMAHELGHNLGIHHDTGSCSCGAKSCIMASVLSKVLSYEFSDCSQNQYETYLTNHNPQCILNKPLLTVSGNELLEAGE 2W12,2W13,2W14,2W15 Snake venom metalloproteinase BaP1 VM1B1_BOTAS P83512 Q072L4 51027279 CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NO InChI=1S/C21H30N6O4/c1-13(2)8-17(25-19(28)16(22)9-14-6-4-3-5-7-14)20(29)26-18(21(30)27-31)10-15-11-23-12-24-15/h3-7,11-13,16-18,31H,8-10,22H2,1-2H3,(H,23,24)(H,25,28)(H,26,29)(H,27,30)/t16-,17-,18-/m0/s1 ODMOSMMJOUTWGM-BZSNNMDCSA-N 50420351 CHEMBL2089173 Snake venom metalloproteinase BaP1 107600 ChEMBL 10.1021/ml300068r 10.7270/Q2542PVS 24900507 Villalta-Romero, F; Gortat, A; Herrera, AE; Arguedas, R; Quesada, J; de Melo, RL; Calvete, JJ; Montero, M; Murillo, R; Rucavado, A; Gutiérrez, JM; Pérez-Payá, E TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50420351 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006301&target=Snake+venom+metalloproteinase+BaP1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50420351&enzyme=Snake+venom+metalloproteinase+BaP1&column=ki&startPg=0&Increment=50&submit=Search 70697494 163369375 CHEMBL2089173 ZINC84671692 1 MIEVLLVTICLAVFPYQGSSIILESGNVNDYEVVYPRKVTELPKGAVQPKYEDAMQYEFKVNGEPVVLHLEKNKGLFSEDYSETHYSPDGRKIITYPSFEDHCYYHGRIENDADSTASISACNGLKGHFKLQGETYLIEPLKLSDSEAHAVYKYENVEKEDEAPKMCGVTETNWESYEPIKKASQSNLTPEQQRFSPRYIELAVVADHGIFTKYNSNLNTIRTRVHEMLNTVNGFYRSVDVHAPLANLEVWSKQDLIKVQKDSSKTLKSFGEWRERDLLPRISHDHAQLLTAVVFDGNTIGRAYTGGMCDPRHSVGVVRDHSKNNLWVAVTMAHELGHNLGIHHDTGSCSCGAKSCIMASVLSKVLSYEFSDCSQNQYETYLTNHNPQCILNKPLLTVSGNELLEAGE 2W12,2W13,2W14,2W15 Snake venom metalloproteinase BaP1 VM1B1_BOTAS P83512 Q072L4 51027280 CC(C)C[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NO InChI=1S/C23H36N8O4/c1-13(2)10-19(21(33)29-18(22(34)31-35)8-5-9-27-23(25)26)30-20(32)16(24)11-14-12-28-17-7-4-3-6-15(14)17/h3-4,6-7,12-13,16,18-19,28,35H,5,8-11,24H2,1-2H3,(H,29,33)(H,30,32)(H,31,34)(H4,25,26,27)/t16-,18-,19-/m0/s1 PFASZPZCMQWWJC-WDSOQIARSA-N 50420352 CHEMBL2089169 Snake venom metalloproteinase BaP1 216600 ChEMBL 10.1021/ml300068r 10.7270/Q2542PVS 24900507 Villalta-Romero, F; Gortat, A; Herrera, AE; Arguedas, R; Quesada, J; de Melo, RL; Calvete, JJ; Montero, M; Murillo, R; Rucavado, A; Gutiérrez, JM; Pérez-Payá, E TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50420352 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006301&target=Snake+venom+metalloproteinase+BaP1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50420352&enzyme=Snake+venom+metalloproteinase+BaP1&column=ki&startPg=0&Increment=50&submit=Search 70693377 163369376 CHEMBL2089169 ZINC84739742 1 MIEVLLVTICLAVFPYQGSSIILESGNVNDYEVVYPRKVTELPKGAVQPKYEDAMQYEFKVNGEPVVLHLEKNKGLFSEDYSETHYSPDGRKIITYPSFEDHCYYHGRIENDADSTASISACNGLKGHFKLQGETYLIEPLKLSDSEAHAVYKYENVEKEDEAPKMCGVTETNWESYEPIKKASQSNLTPEQQRFSPRYIELAVVADHGIFTKYNSNLNTIRTRVHEMLNTVNGFYRSVDVHAPLANLEVWSKQDLIKVQKDSSKTLKSFGEWRERDLLPRISHDHAQLLTAVVFDGNTIGRAYTGGMCDPRHSVGVVRDHSKNNLWVAVTMAHELGHNLGIHHDTGSCSCGAKSCIMASVLSKVLSYEFSDCSQNQYETYLTNHNPQCILNKPLLTVSGNELLEAGE 2W12,2W13,2W14,2W15 Snake venom metalloproteinase BaP1 VM1B1_BOTAS P83512 Q072L4 51027281 CC(C)C[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O InChI=1S/C26H33N5O4/c1-15(2)11-23(26(35)30-22(24(28)33)12-16-7-9-18(32)10-8-16)31-25(34)20(27)13-17-14-29-21-6-4-3-5-19(17)21/h3-10,14-15,20,22-23,29,32H,11-13,27H2,1-2H3,(H2,28,33)(H,30,35)(H,31,34)/t20-,22-,23-/m0/s1 GGFDLHMXTGWZKG-PMVMPFDFSA-N 50420353 CHEMBL2089159 Snake venom metalloproteinase BaP1 402000 ChEMBL 10.1021/ml300068r 10.7270/Q2542PVS 24900507 Villalta-Romero, F; Gortat, A; Herrera, AE; Arguedas, R; Quesada, J; de Melo, RL; Calvete, JJ; Montero, M; Murillo, R; Rucavado, A; Gutiérrez, JM; Pérez-Payá, E TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50420353 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006301&target=Snake+venom+metalloproteinase+BaP1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50420353&enzyme=Snake+venom+metalloproteinase+BaP1&column=ki&startPg=0&Increment=50&submit=Search 70693376 163369377 CHEMBL2089159 ZINC84731686 1 MIEVLLVTICLAVFPYQGSSIILESGNVNDYEVVYPRKVTELPKGAVQPKYEDAMQYEFKVNGEPVVLHLEKNKGLFSEDYSETHYSPDGRKIITYPSFEDHCYYHGRIENDADSTASISACNGLKGHFKLQGETYLIEPLKLSDSEAHAVYKYENVEKEDEAPKMCGVTETNWESYEPIKKASQSNLTPEQQRFSPRYIELAVVADHGIFTKYNSNLNTIRTRVHEMLNTVNGFYRSVDVHAPLANLEVWSKQDLIKVQKDSSKTLKSFGEWRERDLLPRISHDHAQLLTAVVFDGNTIGRAYTGGMCDPRHSVGVVRDHSKNNLWVAVTMAHELGHNLGIHHDTGSCSCGAKSCIMASVLSKVLSYEFSDCSQNQYETYLTNHNPQCILNKPLLTVSGNELLEAGE 2W12,2W13,2W14,2W15 Snake venom metalloproteinase BaP1 VM1B1_BOTAS P83512 Q072L4 51027282 CC(C)C[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O InChI=1S/C26H33N5O3/c1-16(2)12-23(26(34)30-22(24(28)32)13-17-8-4-3-5-9-17)31-25(33)20(27)14-18-15-29-21-11-7-6-10-19(18)21/h3-11,15-16,20,22-23,29H,12-14,27H2,1-2H3,(H2,28,32)(H,30,34)(H,31,33)/t20-,22-,23-/m0/s1 OPQDGNWZNQPAHR-PMVMPFDFSA-N 50420354 CHEMBL2089158 Snake venom metalloproteinase BaP1 >1000000 ChEMBL 10.1021/ml300068r 10.7270/Q2542PVS 24900507 Villalta-Romero, F; Gortat, A; Herrera, AE; Arguedas, R; Quesada, J; de Melo, RL; Calvete, JJ; Montero, M; Murillo, R; Rucavado, A; Gutiérrez, JM; Pérez-Payá, E TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50420354 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006301&target=Snake+venom+metalloproteinase+BaP1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50420354&enzyme=Snake+venom+metalloproteinase+BaP1&column=ki&startPg=0&Increment=50&submit=Search 70695475 163369378 CHEMBL2089158 ZINC84731685 1 MIEVLLVTICLAVFPYQGSSIILESGNVNDYEVVYPRKVTELPKGAVQPKYEDAMQYEFKVNGEPVVLHLEKNKGLFSEDYSETHYSPDGRKIITYPSFEDHCYYHGRIENDADSTASISACNGLKGHFKLQGETYLIEPLKLSDSEAHAVYKYENVEKEDEAPKMCGVTETNWESYEPIKKASQSNLTPEQQRFSPRYIELAVVADHGIFTKYNSNLNTIRTRVHEMLNTVNGFYRSVDVHAPLANLEVWSKQDLIKVQKDSSKTLKSFGEWRERDLLPRISHDHAQLLTAVVFDGNTIGRAYTGGMCDPRHSVGVVRDHSKNNLWVAVTMAHELGHNLGIHHDTGSCSCGAKSCIMASVLSKVLSYEFSDCSQNQYETYLTNHNPQCILNKPLLTVSGNELLEAGE 2W12,2W13,2W14,2W15 Snake venom metalloproteinase BaP1 VM1B1_BOTAS P83512 Q072L4 51027283 CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O InChI=1S/C24H32N4O4/c1-15(2)12-21(28-23(31)19(25)13-16-6-4-3-5-7-16)24(32)27-20(22(26)30)14-17-8-10-18(29)11-9-17/h3-11,15,19-21,29H,12-14,25H2,1-2H3,(H2,26,30)(H,27,32)(H,28,31)/t19-,20-,21-/m0/s1 SPAOJPLBVAYAEK-ACRUOGEOSA-N 50420355 CHEMBL2089163 Snake venom metalloproteinase BaP1 >1000000 ChEMBL 10.1021/ml300068r 10.7270/Q2542PVS 24900507 Villalta-Romero, F; Gortat, A; Herrera, AE; Arguedas, R; Quesada, J; de Melo, RL; Calvete, JJ; Montero, M; Murillo, R; Rucavado, A; Gutiérrez, JM; Pérez-Payá, E TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50420355 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006301&target=Snake+venom+metalloproteinase+BaP1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50420355&enzyme=Snake+venom+metalloproteinase+BaP1&column=ki&startPg=0&Increment=50&submit=Search 70682861 163369379 CHEMBL2089163 ZINC84738732 1 MIEVLLVTICLAVFPYQGSSIILESGNVNDYEVVYPRKVTELPKGAVQPKYEDAMQYEFKVNGEPVVLHLEKNKGLFSEDYSETHYSPDGRKIITYPSFEDHCYYHGRIENDADSTASISACNGLKGHFKLQGETYLIEPLKLSDSEAHAVYKYENVEKEDEAPKMCGVTETNWESYEPIKKASQSNLTPEQQRFSPRYIELAVVADHGIFTKYNSNLNTIRTRVHEMLNTVNGFYRSVDVHAPLANLEVWSKQDLIKVQKDSSKTLKSFGEWRERDLLPRISHDHAQLLTAVVFDGNTIGRAYTGGMCDPRHSVGVVRDHSKNNLWVAVTMAHELGHNLGIHHDTGSCSCGAKSCIMASVLSKVLSYEFSDCSQNQYETYLTNHNPQCILNKPLLTVSGNELLEAGE 2W12,2W13,2W14,2W15 Snake venom metalloproteinase BaP1 VM1B1_BOTAS P83512 Q072L4 51027284 Nc1ccc(\N=N\c2ccccc2)c(N)n1 InChI=1S/C11H11N5/c12-10-7-6-9(11(13)14-10)16-15-8-4-2-1-3-5-8/h1-7H,(H4,12,13,14)/b16-15+ QPFYXYFORQJZEC-FOCLMDBBSA-N 50420356 NC 150::PHENAZOPYRIDINE HYDROCHLORIDE Snake venom metalloproteinase BaP1 54300 ChEMBL 10.1021/ml300068r 10.7270/Q2542PVS 24900507 Villalta-Romero, F; Gortat, A; Herrera, AE; Arguedas, R; Quesada, J; de Melo, RL; Calvete, JJ; Montero, M; Murillo, R; Rucavado, A; Gutiérrez, JM; Pérez-Payá, E TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50420356 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006301&target=Snake+venom+metalloproteinase+BaP1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50420356&enzyme=Snake+venom+metalloproteinase+BaP1&column=ki&startPg=0&Increment=50&submit=Search 4756 163369380 71419 DB01438 C07429 ZINC95483532 1 MIEVLLVTICLAVFPYQGSSIILESGNVNDYEVVYPRKVTELPKGAVQPKYEDAMQYEFKVNGEPVVLHLEKNKGLFSEDYSETHYSPDGRKIITYPSFEDHCYYHGRIENDADSTASISACNGLKGHFKLQGETYLIEPLKLSDSEAHAVYKYENVEKEDEAPKMCGVTETNWESYEPIKKASQSNLTPEQQRFSPRYIELAVVADHGIFTKYNSNLNTIRTRVHEMLNTVNGFYRSVDVHAPLANLEVWSKQDLIKVQKDSSKTLKSFGEWRERDLLPRISHDHAQLLTAVVFDGNTIGRAYTGGMCDPRHSVGVVRDHSKNNLWVAVTMAHELGHNLGIHHDTGSCSCGAKSCIMASVLSKVLSYEFSDCSQNQYETYLTNHNPQCILNKPLLTVSGNELLEAGE 2W12,2W13,2W14,2W15 Snake venom metalloproteinase BaP1 VM1B1_BOTAS P83512 Q072L4 51027285 CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O InChI=1S/C24H32N4O3/c1-16(2)13-21(28-23(30)19(25)14-17-9-5-3-6-10-17)24(31)27-20(22(26)29)15-18-11-7-4-8-12-18/h3-12,16,19-21H,13-15,25H2,1-2H3,(H2,26,29)(H,27,31)(H,28,30)/t19-,20-,21-/m0/s1 LNBMHPAPBYXBCM-ACRUOGEOSA-N 50420357 CHEMBL2089162 Snake venom metalloproteinase BaP1 825000 ChEMBL 10.1021/ml300068r 10.7270/Q2542PVS 24900507 Villalta-Romero, F; Gortat, A; Herrera, AE; Arguedas, R; Quesada, J; de Melo, RL; Calvete, JJ; Montero, M; Murillo, R; Rucavado, A; Gutiérrez, JM; Pérez-Payá, E TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50420357 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006301&target=Snake+venom+metalloproteinase+BaP1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50420357&enzyme=Snake+venom+metalloproteinase+BaP1&column=ki&startPg=0&Increment=50&submit=Search 70684932 163369381 CHEMBL2089162 ZINC67848205 1 MIEVLLVTICLAVFPYQGSSIILESGNVNDYEVVYPRKVTELPKGAVQPKYEDAMQYEFKVNGEPVVLHLEKNKGLFSEDYSETHYSPDGRKIITYPSFEDHCYYHGRIENDADSTASISACNGLKGHFKLQGETYLIEPLKLSDSEAHAVYKYENVEKEDEAPKMCGVTETNWESYEPIKKASQSNLTPEQQRFSPRYIELAVVADHGIFTKYNSNLNTIRTRVHEMLNTVNGFYRSVDVHAPLANLEVWSKQDLIKVQKDSSKTLKSFGEWRERDLLPRISHDHAQLLTAVVFDGNTIGRAYTGGMCDPRHSVGVVRDHSKNNLWVAVTMAHELGHNLGIHHDTGSCSCGAKSCIMASVLSKVLSYEFSDCSQNQYETYLTNHNPQCILNKPLLTVSGNELLEAGE 2W12,2W13,2W14,2W15 Snake venom metalloproteinase BaP1 VM1B1_BOTAS P83512 Q072L4 50748761 CC(C)c1ccc(OCC(=O)N\N=C2/C(=O)NC(=O)N=C2O)cc1 InChI=1S/C15H16N4O5/c1-8(2)9-3-5-10(6-4-9)24-7-11(20)18-19-12-13(21)16-15(23)17-14(12)22/h3-6,8H,7H2,1-2H3,(H,18,20)(H2,16,17,21,22,23) JIJMIFULGIHRTH-UHFFFAOYSA-N 50239115 CHEMBL4082030 Snake venom metalloproteinase BaP1 34000.00 ChEMBL 10.1016/j.bmcl.2017.03.007 10.7270/Q2X06957 28347665 Villalta-Romero, F; Borro, L; Mandic, B; Escalante, T; Rucavado, A; Gutiérrez, JM; Neshich, G; Tasic, L UNICAMP http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50239115 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006301&target=Snake+venom+metalloproteinase+BaP1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50239115&enzyme=Snake+venom+metalloproteinase+BaP1&column=ki&startPg=0&Increment=50&submit=Search 3561394 386048285 CHEMBL4082030 1 MIEVLLVTICLAVFPYQGSSIILESGNVNDYEVVYPRKVTELPKGAVQPKYEDAMQYEFKVNGEPVVLHLEKNKGLFSEDYSETHYSPDGRKIITYPSFEDHCYYHGRIENDADSTASISACNGLKGHFKLQGETYLIEPLKLSDSEAHAVYKYENVEKEDEAPKMCGVTETNWESYEPIKKASQSNLTPEQQRFSPRYIELAVVADHGIFTKYNSNLNTIRTRVHEMLNTVNGFYRSVDVHAPLANLEVWSKQDLIKVQKDSSKTLKSFGEWRERDLLPRISHDHAQLLTAVVFDGNTIGRAYTGGMCDPRHSVGVVRDHSKNNLWVAVTMAHELGHNLGIHHDTGSCSCGAKSCIMASVLSKVLSYEFSDCSQNQYETYLTNHNPQCILNKPLLTVSGNELLEAGE 2W12,2W13,2W14,2W15 Snake venom metalloproteinase BaP1 VM1B1_BOTAS P83512 Q072L4 50748762 Cc1ccc(OCC(=O)N\N=C2/C(=O)NC(=O)N=C2O)cc1 InChI=1S/C13H12N4O5/c1-7-2-4-8(5-3-7)22-6-9(18)16-17-10-11(19)14-13(21)15-12(10)20/h2-5H,6H2,1H3,(H,16,18)(H2,14,15,19,20,21) ZAJJYUGEVAEERK-UHFFFAOYSA-N 50239116 CHEMBL4098534 Snake venom metalloproteinase BaP1 37000.00 ChEMBL 10.1016/j.bmcl.2017.03.007 10.7270/Q2X06957 28347665 Villalta-Romero, F; Borro, L; Mandic, B; Escalante, T; Rucavado, A; Gutiérrez, JM; Neshich, G; Tasic, L UNICAMP http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50239116 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006301&target=Snake+venom+metalloproteinase+BaP1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50239116&enzyme=Snake+venom+metalloproteinase+BaP1&column=ki&startPg=0&Increment=50&submit=Search 11293438 85714278 CHEMBL4098534 1 MIEVLLVTICLAVFPYQGSSIILESGNVNDYEVVYPRKVTELPKGAVQPKYEDAMQYEFKVNGEPVVLHLEKNKGLFSEDYSETHYSPDGRKIITYPSFEDHCYYHGRIENDADSTASISACNGLKGHFKLQGETYLIEPLKLSDSEAHAVYKYENVEKEDEAPKMCGVTETNWESYEPIKKASQSNLTPEQQRFSPRYIELAVVADHGIFTKYNSNLNTIRTRVHEMLNTVNGFYRSVDVHAPLANLEVWSKQDLIKVQKDSSKTLKSFGEWRERDLLPRISHDHAQLLTAVVFDGNTIGRAYTGGMCDPRHSVGVVRDHSKNNLWVAVTMAHELGHNLGIHHDTGSCSCGAKSCIMASVLSKVLSYEFSDCSQNQYETYLTNHNPQCILNKPLLTVSGNELLEAGE 2W12,2W13,2W14,2W15 Snake venom metalloproteinase BaP1 VM1B1_BOTAS P83512 Q072L4 50748763 CC(C)c1ccc(OCC(=O)N\N=C2/C(=O)NC(=O)N=C2O)cc1 InChI=1S/C15H16N4O5/c1-8(2)9-3-5-10(6-4-9)24-7-11(20)18-19-12-13(21)16-15(23)17-14(12)22/h3-6,8H,7H2,1-2H3,(H,18,20)(H2,16,17,21,22,23) JIJMIFULGIHRTH-UHFFFAOYSA-N 50239115 CHEMBL4082030 Snake venom metalloproteinase BaP1 17000.00 ChEMBL 10.1016/j.bmcl.2017.03.007 10.7270/Q2X06957 28347665 Villalta-Romero, F; Borro, L; Mandic, B; Escalante, T; Rucavado, A; Gutiérrez, JM; Neshich, G; Tasic, L UNICAMP http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50239115 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006301&target=Snake+venom+metalloproteinase+BaP1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50239115&enzyme=Snake+venom+metalloproteinase+BaP1&column=ki&startPg=0&Increment=50&submit=Search 3561394 386048285 CHEMBL4082030 1 MIEVLLVTICLAVFPYQGSSIILESGNVNDYEVVYPRKVTELPKGAVQPKYEDAMQYEFKVNGEPVVLHLEKNKGLFSEDYSETHYSPDGRKIITYPSFEDHCYYHGRIENDADSTASISACNGLKGHFKLQGETYLIEPLKLSDSEAHAVYKYENVEKEDEAPKMCGVTETNWESYEPIKKASQSNLTPEQQRFSPRYIELAVVADHGIFTKYNSNLNTIRTRVHEMLNTVNGFYRSVDVHAPLANLEVWSKQDLIKVQKDSSKTLKSFGEWRERDLLPRISHDHAQLLTAVVFDGNTIGRAYTGGMCDPRHSVGVVRDHSKNNLWVAVTMAHELGHNLGIHHDTGSCSCGAKSCIMASVLSKVLSYEFSDCSQNQYETYLTNHNPQCILNKPLLTVSGNELLEAGE 2W12,2W13,2W14,2W15 Snake venom metalloproteinase BaP1 VM1B1_BOTAS P83512 Q072L4 50748764 Cc1ccc(OCC(=O)N\N=C2/C(=O)NC(=O)N=C2O)cc1 InChI=1S/C13H12N4O5/c1-7-2-4-8(5-3-7)22-6-9(18)16-17-10-11(19)14-13(21)15-12(10)20/h2-5H,6H2,1H3,(H,16,18)(H2,14,15,19,20,21) ZAJJYUGEVAEERK-UHFFFAOYSA-N 50239116 CHEMBL4098534 Snake venom metalloproteinase BaP1 20000.00 ChEMBL 10.1016/j.bmcl.2017.03.007 10.7270/Q2X06957 28347665 Villalta-Romero, F; Borro, L; Mandic, B; Escalante, T; Rucavado, A; Gutiérrez, JM; Neshich, G; Tasic, L UNICAMP http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50239116 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006301&target=Snake+venom+metalloproteinase+BaP1&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50239116&enzyme=Snake+venom+metalloproteinase+BaP1&column=ki&startPg=0&Increment=50&submit=Search 11293438 85714278 CHEMBL4098534 1 MIEVLLVTICLAVFPYQGSSIILESGNVNDYEVVYPRKVTELPKGAVQPKYEDAMQYEFKVNGEPVVLHLEKNKGLFSEDYSETHYSPDGRKIITYPSFEDHCYYHGRIENDADSTASISACNGLKGHFKLQGETYLIEPLKLSDSEAHAVYKYENVEKEDEAPKMCGVTETNWESYEPIKKASQSNLTPEQQRFSPRYIELAVVADHGIFTKYNSNLNTIRTRVHEMLNTVNGFYRSVDVHAPLANLEVWSKQDLIKVQKDSSKTLKSFGEWRERDLLPRISHDHAQLLTAVVFDGNTIGRAYTGGMCDPRHSVGVVRDHSKNNLWVAVTMAHELGHNLGIHHDTGSCSCGAKSCIMASVLSKVLSYEFSDCSQNQYETYLTNHNPQCILNKPLLTVSGNELLEAGE 2W12,2W13,2W14,2W15 Snake venom metalloproteinase BaP1 VM1B1_BOTAS P83512 Q072L4