Compile Data Set for Download or QSAR

Found 4352 hits with Last Name = 'evans' and Initial = 'dm'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Plasma kallikrein (Homo sapiens (Human))	BDBM528106 (N-{[5-methoxy-2-(1,2,3,4-tetrazol-1-yl)phenyl]meth...) Show SMILES COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(OC)ccc1-n1cnnn1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 18...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MG7SP5
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM528123 (N-{[5-chloro-2-(1,2,3,4-tetrazol-1-yl)phenyl]methy...) Show SMILES COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(Cl)ccc1-n1cnnn1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 18...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MG7SP5
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM455297 (US10730874, Compound TABLE II.2 | US11180484, Exam...) Show SMILES COCc1nn(Cc2ccc(nc2)N2CCCC2)cc1C(=O)NCc1c(F)c(OC)ccc1-n1cnnn1 Show InChI InChI=1S/C25H28FN9O3/c1-37-15-20-19(14-34(30-20)13-17-5-8-23(27-11-17)33-9-3-4-10-33)25(36)28-12-18-21(35-16-29-31-32-35)6-7-22(38-2)24(18)26/h5-8,11,14,16H,3-4,9-10,12-13,15H2,1-2H3,(H,28,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 18...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MG7SP5
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM528127 (US11180484, Example 79 | US11180484, Reference Exa...) Show SMILES COCc1nn(Cc2cnc(nc2)N2CCCC2)cc1C(=O)NCc1c(F)c(OC)ccc1-n1cnnn1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 18...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MG7SP5
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM528105 (N-{[2-fluoro-3-methoxy-6-(1,2,3,4-tetrazol-1-yl)ph...) Show SMILES COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1c(F)c(OC)ccc1-n1cnnn1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 18...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MG7SP5
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM528131 (1-{[2-(3,3-Difluoropyrrolidin-1-yl)pyrimidin-5-yl]...) Show SMILES COCc1nn(Cc2cnc(nc2)N2CCC(F)(F)C2)cc1C(=O)NCc1c(F)c(OC)ccc1-n1cnnn1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 18...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MG7SP5
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM528119 (N-{[2-fluoro-3-methoxy-6-(1,2,3,4-tetrazol-1-yl)ph...) Show SMILES COCc1nn(Cc2ccc(Cn3cc(C)cn3)cc2)cc1C(=O)NCc1c(F)c(OC)ccc1-n1cnnn1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 18...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MG7SP5
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50068972 ((S)-3-(2-{3-[(Naphthalene-2-carbonyl)-amino]-2-oxo...) Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CNCCc1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C33H34N4O6/c1-2-28(32(42)36-27(20-30(39)40)29(38)21-34-17-16-22-9-4-3-5-10-22)37-18-8-13-26(33(37)43)35-31(41)25-15-14-23-11-6-7-12-24(23)19-25/h3-15,18-19,27-28,34H,2,16-17,20-21H2,1H3,(H,35,41)(H,36,42)(H,39,40)/t27-,28?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ferring Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant IL-1 beta converting enzyme				Bioorg Med Chem Lett 8: 959-64 (1999) BindingDB Entry DOI: 10.7270/Q2ZP458C
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM528127 (US11180484, Example 79 | US11180484, Reference Exa...) Show SMILES COCc1nn(Cc2cnc(nc2)N2CCCC2)cc1C(=O)NCc1c(F)c(OC)ccc1-n1cnnn1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 18...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MG7SP5
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM528074 (N-{[2-Fluoro-6-(1,2,3,4-tetrazol-1-yl)phenyl]methy...) Show SMILES COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1c(F)cccc1-n1cnnn1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 18...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MG7SP5
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM528130 (N-{[2-fluoro-3-methoxy-6-(1,2,3,4-tetrazol-1-yl)ph...) Show SMILES COc1ccc(c(CNC(=O)c2cn(Cc3ccc(nc3)N3CCCC3)nc2C(F)(F)F)c1F)-n1cnnn1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 18...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MG7SP5
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50068954 ((S)-5-Butylamino-3-(2-{3-[(naphthalene-2-carbonyl)...) Show SMILES CCCCNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C29H34N4O6/c1-3-5-14-30-18-25(34)23(17-26(35)36)32-28(38)24(4-2)33-15-8-11-22(29(33)39)31-27(37)21-13-12-19-9-6-7-10-20(19)16-21/h6-13,15-16,23-24,30H,3-5,14,17-18H2,1-2H3,(H,31,37)(H,32,38)(H,35,36)/t23-,24?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ferring Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant IL-1 beta converting enzyme				Bioorg Med Chem Lett 8: 959-64 (1999) BindingDB Entry DOI: 10.7270/Q2ZP458C
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50068949 ((S)-5-Hexylamino-3-(2-{3-[(naphthalene-2-carbonyl)...) Show SMILES CCCCCCNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C31H38N4O6/c1-3-5-6-9-16-32-20-27(36)25(19-28(37)38)34-30(40)26(4-2)35-17-10-13-24(31(35)41)33-29(39)23-15-14-21-11-7-8-12-22(21)18-23/h7-8,10-15,17-18,25-26,32H,3-6,9,16,19-20H2,1-2H3,(H,33,39)(H,34,40)(H,37,38)/t25-,26?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ferring Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant IL-1 beta converting enzyme				Bioorg Med Chem Lett 8: 959-64 (1999) BindingDB Entry DOI: 10.7270/Q2ZP458C
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50068950 ((S)-3-(2-{3-[(Naphthalene-2-carbonyl)-amino]-2-oxo...) Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CNCCCc1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C34H36N4O6/c1-2-29(33(43)37-28(21-31(40)41)30(39)22-35-18-8-12-23-10-4-3-5-11-23)38-19-9-15-27(34(38)44)36-32(42)26-17-16-24-13-6-7-14-25(24)20-26/h3-7,9-11,13-17,19-20,28-29,35H,2,8,12,18,21-22H2,1H3,(H,36,42)(H,37,43)(H,40,41)/t28-,29?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ferring Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant IL-1 beta converting enzyme				Bioorg Med Chem Lett 8: 959-64 (1999) BindingDB Entry DOI: 10.7270/Q2ZP458C
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50068945 ((S)-5-(Hexyl-methyl-amino)-3-(2-{3-[(naphthalene-2...) Show SMILES CCCCCCN(C)CC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C32H40N4O6/c1-4-6-7-10-17-35(3)21-28(37)26(20-29(38)39)34-31(41)27(5-2)36-18-11-14-25(32(36)42)33-30(40)24-16-15-22-12-8-9-13-23(22)19-24/h8-9,11-16,18-19,26-27H,4-7,10,17,20-21H2,1-3H3,(H,33,40)(H,34,41)(H,38,39)/t26-,27?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ferring Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant IL-1 beta converting enzyme				Bioorg Med Chem Lett 8: 959-64 (1999) BindingDB Entry DOI: 10.7270/Q2ZP458C
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM528094 (N-[(4-methoxy-3-methylpyridin-2-yl)methyl]-3-(meth...) Show SMILES COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1nccc(OC)c1C Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 18...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MG7SP5
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50068953 ((S)-5-(Butyl-ethyl-amino)-3-(2-{3-[(naphthalene-2-...) Show SMILES CCCCN(CC)CC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C31H38N4O6/c1-4-7-16-34(6-3)20-27(36)25(19-28(37)38)33-30(40)26(5-2)35-17-10-13-24(31(35)41)32-29(39)23-15-14-21-11-8-9-12-22(21)18-23/h8-15,17-18,25-26H,4-7,16,19-20H2,1-3H3,(H,32,39)(H,33,40)(H,37,38)/t25-,26?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ferring Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant IL-1 beta converting enzyme				Bioorg Med Chem Lett 8: 959-64 (1999) BindingDB Entry DOI: 10.7270/Q2ZP458C
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50068951 ((S)-5-Dihexylamino-3-(2-{3-[(naphthalene-2-carbony...) Show SMILES CCCCCCN(CCCCCC)CC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C37H50N4O6/c1-4-7-9-13-21-40(22-14-10-8-5-2)26-33(42)31(25-34(43)44)39-36(46)32(6-3)41-23-15-18-30(37(41)47)38-35(45)29-20-19-27-16-11-12-17-28(27)24-29/h11-12,15-20,23-24,31-32H,4-10,13-14,21-22,25-26H2,1-3H3,(H,38,45)(H,39,46)(H,43,44)/t31-,32?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ferring Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant IL-1 beta converting enzyme				Bioorg Med Chem Lett 8: 959-64 (1999) BindingDB Entry DOI: 10.7270/Q2ZP458C
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM528129 (N-{[5-methoxy-2-(1,2,3,4-tetrazol-1-yl)phenyl]meth...) Show SMILES COCc1nn(Cc2cnc(nc2)N2CCCC2)cc1C(=O)NCc1cc(OC)ccc1-n1cnnn1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 18...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MG7SP5
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM528133 (1-{[2-(3,3-difluoropyrrolidin-1-yl)pyrimidin-5-yl]...) Show SMILES COCc1nn(Cc2cnc(nc2)N2CCC(F)(F)C2)cc1C(=O)NCc1cc(OC)ccc1-n1cnnn1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 18...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MG7SP5
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM408717 ( N-[(3-fluoro-4-methoxypyridin-2-yl)methyl]-3-(met...) Show SMILES COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1nccc(OC)c1F Show InChI InChI=1S/C26H26FN5O4/c1-35-17-22-20(26(34)29-13-21-25(27)23(36-2)10-11-28-21)16-32(30-22)15-19-8-6-18(7-9-19)14-31-12-4-3-5-24(31)33/h3-12,16H,13-15,17H2,1-2H3,(H,29,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00921 BindingDB Entry DOI: 10.7270/Q2HT2TBQ
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50068962 ((S)-5-(Butyl-methyl-amino)-3-(2-{3-[(naphthalene-2...) Show SMILES CCCCN(C)CC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C30H36N4O6/c1-4-6-15-33(3)19-26(35)24(18-27(36)37)32-29(39)25(5-2)34-16-9-12-23(30(34)40)31-28(38)22-14-13-20-10-7-8-11-21(20)17-22/h7-14,16-17,24-25H,4-6,15,18-19H2,1-3H3,(H,31,38)(H,32,39)(H,36,37)/t24-,25?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ferring Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant IL-1 beta converting enzyme				Bioorg Med Chem Lett 8: 959-64 (1999) BindingDB Entry DOI: 10.7270/Q2ZP458C
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50068957 ((S)-5-Benzylamino-3-(2-{3-[(naphthalene-2-carbonyl...) Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CNCc1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C32H32N4O6/c1-2-27(31(41)35-26(18-29(38)39)28(37)20-33-19-21-9-4-3-5-10-21)36-16-8-13-25(32(36)42)34-30(40)24-15-14-22-11-6-7-12-23(22)17-24/h3-17,26-27,33H,2,18-20H2,1H3,(H,34,40)(H,35,41)(H,38,39)/t26-,27?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ferring Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant IL-1 beta converting enzyme				Bioorg Med Chem Lett 8: 959-64 (1999) BindingDB Entry DOI: 10.7270/Q2ZP458C
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50068967 (3-(2-{3-[(Naphthalene-2-carbonyl)-amino]-2-oxo-2H-...) Show SMILES CCC(C(=O)NC(CC(O)=O)C(=O)CN1CCCCC1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C30H34N4O6/c1-2-25(29(39)32-24(18-27(36)37)26(35)19-33-14-6-3-7-15-33)34-16-8-11-23(30(34)40)31-28(38)22-13-12-20-9-4-5-10-21(20)17-22/h4-5,8-13,16-17,24-25H,2-3,6-7,14-15,18-19H2,1H3,(H,31,38)(H,32,39)(H,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ferring Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant IL-1 beta converting enzyme				Bioorg Med Chem Lett 8: 959-64 (1999) BindingDB Entry DOI: 10.7270/Q2ZP458C
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50068966 ((S)-5-(Methyl-phenethyl-amino)-3-(2-{3-[(naphthale...) Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CN(C)CCc1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C34H36N4O6/c1-3-29(33(43)36-28(21-31(40)41)30(39)22-37(2)19-17-23-10-5-4-6-11-23)38-18-9-14-27(34(38)44)35-32(42)26-16-15-24-12-7-8-13-25(24)20-26/h4-16,18,20,28-29H,3,17,19,21-22H2,1-2H3,(H,35,42)(H,36,43)(H,40,41)/t28-,29?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ferring Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant IL-1 beta converting enzyme				Bioorg Med Chem Lett 8: 959-64 (1999) BindingDB Entry DOI: 10.7270/Q2ZP458C
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM408666 (3-Amino-1-[4-(2-oxo-2H-pyridin-1-ylmethyl)-benzyl]...) Show SMILES COc1cccc(CNC(=O)c2cn(Cc3ccc(Cn4ccccc4=O)cc3)nc2N)c1F Show InChI InChI=1S/C25H24FN5O3/c1-34-21-6-4-5-19(23(21)26)13-28-25(33)20-16-31(29-24(20)27)15-18-10-8-17(9-11-18)14-30-12-3-2-7-22(30)32/h2-12,16H,13-15H2,1H3,(H2,27,29)(H,28,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 18...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MG7SP5
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50068965 (3-(2-{3-[(Naphthalene-2-carbonyl)-amino]-2-oxo-2H-...) Show SMILES CCC(C(=O)NC(CC(O)=O)C(=O)CN1CCCC1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C29H32N4O6/c1-2-24(28(38)31-23(17-26(35)36)25(34)18-32-13-5-6-14-32)33-15-7-10-22(29(33)39)30-27(37)21-12-11-19-8-3-4-9-20(19)16-21/h3-4,7-12,15-16,23-24H,2,5-6,13-14,17-18H2,1H3,(H,30,37)(H,31,38)(H,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ferring Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant IL-1 beta converting enzyme				Bioorg Med Chem Lett 8: 959-64 (1999) BindingDB Entry DOI: 10.7270/Q2ZP458C
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50068952 (1-[4-Carboxy-3-(2-{3-[(naphthalene-2-carbonyl)-ami...) Show SMILES CCOC(=O)C1CCN(CC(=O)C(CC(O)=O)NC(=O)C(CC)n2cccc(NC(=O)c3ccc4ccccc4c3)c2=O)CC1 Show InChI InChI=1S/C33H38N4O8/c1-3-27(31(42)35-26(19-29(39)40)28(38)20-36-16-13-22(14-17-36)33(44)45-4-2)37-15-7-10-25(32(37)43)34-30(41)24-12-11-21-8-5-6-9-23(21)18-24/h5-12,15,18,22,26-27H,3-4,13-14,16-17,19-20H2,1-2H3,(H,34,41)(H,35,42)(H,39,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ferring Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant IL-1 beta converting enzyme				Bioorg Med Chem Lett 8: 959-64 (1999) BindingDB Entry DOI: 10.7270/Q2ZP458C
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50068955 (3-(2-{3-[(Naphthalene-2-carbonyl)-amino]-2-oxo-2H-...) Show SMILES CCC(C(=O)NC(CC(O)=O)C(=O)CN1CCSCC1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C29H32N4O6S/c1-2-24(28(38)31-23(17-26(35)36)25(34)18-32-12-14-40-15-13-32)33-11-5-8-22(29(33)39)30-27(37)21-10-9-19-6-3-4-7-20(19)16-21/h3-11,16,23-24H,2,12-15,17-18H2,1H3,(H,30,37)(H,31,38)(H,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ferring Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant IL-1 beta converting enzyme				Bioorg Med Chem Lett 8: 959-64 (1999) BindingDB Entry DOI: 10.7270/Q2ZP458C
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50068971 (5-(4-Carbamoyl-piperidin-1-yl)-3-(2-{3-[(naphthale...) Show SMILES CCC(C(=O)NC(CC(O)=O)C(=O)CN1CCC(CC1)C(N)=O)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C31H35N5O7/c1-2-25(30(42)34-24(17-27(38)39)26(37)18-35-14-11-20(12-15-35)28(32)40)36-13-5-8-23(31(36)43)33-29(41)22-10-9-19-6-3-4-7-21(19)16-22/h3-10,13,16,20,24-25H,2,11-12,14-15,17-18H2,1H3,(H2,32,40)(H,33,41)(H,34,42)(H,38,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ferring Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant IL-1 beta converting enzyme				Bioorg Med Chem Lett 8: 959-64 (1999) BindingDB Entry DOI: 10.7270/Q2ZP458C
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50068970 ((S)-5-Dimethylamino-3-(2-{3-[(naphthalene-2-carbon...) Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CN(C)C)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C27H30N4O6/c1-4-22(26(36)29-21(15-24(33)34)23(32)16-30(2)3)31-13-7-10-20(27(31)37)28-25(35)19-12-11-17-8-5-6-9-18(17)14-19/h5-14,21-22H,4,15-16H2,1-3H3,(H,28,35)(H,29,36)(H,33,34)/t21-,22?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ferring Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant IL-1 beta converting enzyme				Bioorg Med Chem Lett 8: 959-64 (1999) BindingDB Entry DOI: 10.7270/Q2ZP458C
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50068969 ((S)-5-((R)-1-Carbamoyl-2-phenyl-ethylamino)-3-(2-{...) Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CN[C@H](Cc1ccccc1)C(N)=O)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C34H35N5O7/c1-2-28(39-16-8-13-25(34(39)46)37-32(44)24-15-14-22-11-6-7-12-23(22)18-24)33(45)38-26(19-30(41)42)29(40)20-36-27(31(35)43)17-21-9-4-3-5-10-21/h3-16,18,26-28,36H,2,17,19-20H2,1H3,(H2,35,43)(H,37,44)(H,38,45)(H,41,42)/t26-,27+,28?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ferring Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant IL-1 beta converting enzyme				Bioorg Med Chem Lett 8: 959-64 (1999) BindingDB Entry DOI: 10.7270/Q2ZP458C
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50068973 (5-Hexanoylamino-3-(2-{3-[(naphthalene-2-carbonyl)-...) Show SMILES CCCCCC(=O)NCC(=O)C(CC(O)=O)NC(=O)C(CC)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C31H36N4O7/c1-3-5-6-13-27(37)32-19-26(36)24(18-28(38)39)34-30(41)25(4-2)35-16-9-12-23(31(35)42)33-29(40)22-15-14-20-10-7-8-11-21(20)17-22/h7-12,14-17,24-25H,3-6,13,18-19H2,1-2H3,(H,32,37)(H,33,40)(H,34,41)(H,38,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ferring Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant IL-1 beta converting enzyme				Bioorg Med Chem Lett 8: 959-64 (1999) BindingDB Entry DOI: 10.7270/Q2ZP458C
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50068947 ((S)-5-[(3-Carbamoyl-propyl)-methyl-amino]-3-(2-{3-...) Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CN(C)CCCC(N)=O)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C30H35N5O7/c1-3-24(29(41)33-23(17-27(38)39)25(36)18-34(2)14-7-11-26(31)37)35-15-6-10-22(30(35)42)32-28(40)21-13-12-19-8-4-5-9-20(19)16-21/h4-6,8-10,12-13,15-16,23-24H,3,7,11,14,17-18H2,1-2H3,(H2,31,37)(H,32,40)(H,33,41)(H,38,39)/t23-,24?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ferring Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant IL-1 beta converting enzyme				Bioorg Med Chem Lett 8: 959-64 (1999) BindingDB Entry DOI: 10.7270/Q2ZP458C
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50068944 (5-Morpholin-4-yl-3-(2-{3-[(naphthalene-2-carbonyl)...) Show SMILES CCC(C(=O)NC(CC(O)=O)C(=O)CN1CCOCC1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C29H32N4O7/c1-2-24(28(38)31-23(17-26(35)36)25(34)18-32-12-14-40-15-13-32)33-11-5-8-22(29(33)39)30-27(37)21-10-9-19-6-3-4-7-20(19)16-21/h3-11,16,23-24H,2,12-15,17-18H2,1H3,(H,30,37)(H,31,38)(H,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ferring Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant IL-1 beta converting enzyme				Bioorg Med Chem Lett 8: 959-64 (1999) BindingDB Entry DOI: 10.7270/Q2ZP458C
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50068968 (5-Benzoylamino-3-(2-{3-[(naphthalene-2-carbonyl)-a...) Show SMILES CCC(C(=O)NC(CC(O)=O)C(=O)CNC(=O)c1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C32H30N4O7/c1-2-26(31(42)35-25(18-28(38)39)27(37)19-33-29(40)21-10-4-3-5-11-21)36-16-8-13-24(32(36)43)34-30(41)23-15-14-20-9-6-7-12-22(20)17-23/h3-17,25-26H,2,18-19H2,1H3,(H,33,40)(H,34,41)(H,35,42)(H,38,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ferring Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant IL-1 beta converting enzyme				Bioorg Med Chem Lett 8: 959-64 (1999) BindingDB Entry DOI: 10.7270/Q2ZP458C
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50068946 ((S)-5-(Benzyl-methyl-amino)-3-(2-{3-[(naphthalene-...) Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CN(C)Cc1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C33H34N4O6/c1-3-28(32(42)35-27(19-30(39)40)29(38)21-36(2)20-22-10-5-4-6-11-22)37-17-9-14-26(33(37)43)34-31(41)25-16-15-23-12-7-8-13-24(23)18-25/h4-18,27-28H,3,19-21H2,1-2H3,(H,34,41)(H,35,42)(H,39,40)/t27-,28?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ferring Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant IL-1 beta converting enzyme				Bioorg Med Chem Lett 8: 959-64 (1999) BindingDB Entry DOI: 10.7270/Q2ZP458C
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50068958 (5-(4-Methyl-piperazin-1-yl)-3-(2-{3-[(naphthalene-...) Show SMILES CCC(C(=O)NC(CC(O)=O)C(=O)CN1CCN(C)CC1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C30H35N5O6/c1-3-25(29(40)32-24(18-27(37)38)26(36)19-34-15-13-33(2)14-16-34)35-12-6-9-23(30(35)41)31-28(39)22-11-10-20-7-4-5-8-21(20)17-22/h4-12,17,24-25H,3,13-16,18-19H2,1-2H3,(H,31,39)(H,32,40)(H,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ferring Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant IL-1 beta converting enzyme				Bioorg Med Chem Lett 8: 959-64 (1999) BindingDB Entry DOI: 10.7270/Q2ZP458C
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50068960 ((S)-5-((S)-1-Carbamoyl-2-phenyl-ethylamino)-3-(2-{...) Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CN[C@@H](Cc1ccccc1)C(N)=O)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C34H35N5O7/c1-2-28(39-16-8-13-25(34(39)46)37-32(44)24-15-14-22-11-6-7-12-23(22)18-24)33(45)38-26(19-30(41)42)29(40)20-36-27(31(35)43)17-21-9-4-3-5-10-21/h3-16,18,26-28,36H,2,17,19-20H2,1H3,(H2,35,43)(H,37,44)(H,38,45)(H,41,42)/t26-,27-,28?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ferring Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant IL-1 beta converting enzyme				Bioorg Med Chem Lett 8: 959-64 (1999) BindingDB Entry DOI: 10.7270/Q2ZP458C
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50068948 (5-Butyrylamino-3-(2-{3-[(naphthalene-2-carbonyl)-a...) Show SMILES CCCC(=O)NCC(=O)C(CC(O)=O)NC(=O)C(CC)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C29H32N4O7/c1-3-8-25(35)30-17-24(34)22(16-26(36)37)32-28(39)23(4-2)33-14-7-11-21(29(33)40)31-27(38)20-13-12-18-9-5-6-10-19(18)15-20/h5-7,9-15,22-23H,3-4,8,16-17H2,1-2H3,(H,30,35)(H,31,38)(H,32,39)(H,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	81	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ferring Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant IL-1 beta converting enzyme				Bioorg Med Chem Lett 8: 959-64 (1999) BindingDB Entry DOI: 10.7270/Q2ZP458C
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50068963 (5-Acetylamino-3-(2-{3-[(naphthalene-2-carbonyl)-am...) Show SMILES CCC(C(=O)NC(CC(O)=O)C(=O)CNC(C)=O)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C27H28N4O7/c1-3-22(26(37)30-21(14-24(34)35)23(33)15-28-16(2)32)31-12-6-9-20(27(31)38)29-25(36)19-11-10-17-7-4-5-8-18(17)13-19/h4-13,21-22H,3,14-15H2,1-2H3,(H,28,32)(H,29,36)(H,30,37)(H,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	117	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ferring Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant IL-1 beta converting enzyme				Bioorg Med Chem Lett 8: 959-64 (1999) BindingDB Entry DOI: 10.7270/Q2ZP458C
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM528077 (N-i6-chloro-2-fluoro-3-methoxybenzyl)-1 -ii2-methy...) Show SMILES COc1ccc(Cl)c(CNC(=O)c2cn(Cc3ccc4nc(C)ccc4c3)nn2)c1F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	139	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8, 18...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MG7SP5
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50068959 ((S)-5-[((S)-1-Carbamoyl-2-phenyl-ethyl)-methyl-ami...) Show SMILES CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CN(C)[C@@H](Cc1ccccc1)C(N)=O)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C35H37N5O7/c1-3-28(40-17-9-14-26(35(40)47)37-33(45)25-16-15-23-12-7-8-13-24(23)19-25)34(46)38-27(20-31(42)43)30(41)21-39(2)29(32(36)44)18-22-10-5-4-6-11-22/h4-17,19,27-29H,3,18,20-21H2,1-2H3,(H2,36,44)(H,37,45)(H,38,46)(H,42,43)/t27-,28?,29-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	255	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ferring Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant IL-1 beta converting enzyme				Bioorg Med Chem Lett 8: 959-64 (1999) BindingDB Entry DOI: 10.7270/Q2ZP458C
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50068961 (3-(2-{3-[(Naphthalene-2-carbonyl)-amino]-2-oxo-2H-...) Show SMILES CCC(C(=O)NC(CC(O)=O)C(=O)Cn1ccc(=O)cc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C30H28N4O7/c1-2-25(29(40)32-24(17-27(37)38)26(36)18-33-14-11-22(35)12-15-33)34-13-5-8-23(30(34)41)31-28(39)21-10-9-19-6-3-4-7-20(19)16-21/h3-16,24-25H,2,17-18H2,1H3,(H,31,39)(H,32,40)(H,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	395	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ferring Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant IL-1 beta converting enzyme				Bioorg Med Chem Lett 8: 959-64 (1999) BindingDB Entry DOI: 10.7270/Q2ZP458C
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50068964 (3-(2-{3-[(Naphthalene-2-carbonyl)-amino]-2-oxo-2H-...) Show SMILES CCC(C(=O)NC(CC(O)=O)C(=O)CN1CCNCC1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C29H33N5O6/c1-2-24(28(39)32-23(17-26(36)37)25(35)18-33-14-11-30-12-15-33)34-13-5-8-22(29(34)40)31-27(38)21-10-9-19-6-3-4-7-20(19)16-21/h3-10,13,16,23-24,30H,2,11-12,14-15,17-18H2,1H3,(H,31,38)(H,32,39)(H,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ferring Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant IL-1 beta converting enzyme				Bioorg Med Chem Lett 8: 959-64 (1999) BindingDB Entry DOI: 10.7270/Q2ZP458C
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50068956 (3-(2-{3-[(Naphthalene-2-carbonyl)-amino]-2-oxo-2H-...) Show SMILES CCC(C(=O)NC(CC(O)=O)C(=O)Cn1ccccc1=O)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C30H28N4O7/c1-2-24(29(40)32-23(17-27(37)38)25(35)18-33-14-6-5-11-26(33)36)34-15-7-10-22(30(34)41)31-28(39)21-13-12-19-8-3-4-9-20(19)16-21/h3-16,23-24H,2,17-18H2,1H3,(H,31,39)(H,32,40)(H,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.65E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ferring Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant IL-1 beta converting enzyme				Bioorg Med Chem Lett 8: 959-64 (1999) BindingDB Entry DOI: 10.7270/Q2ZP458C
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM528130 (N-{[2-fluoro-3-methoxy-6-(1,2,3,4-tetrazol-1-yl)ph...) Show SMILES COc1ccc(c(CNC(=O)c2cn(Cc3ccc(nc3)N3CCCC3)nc2C(F)(F)F)c1F)-n1cnnn1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MG7SP5
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM528122 (3-amino-N-{[5-chloro-2-(1,2,3,4-tetrazol-1-yl)phen...) Show SMILES Nc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(Cl)ccc1-n1cnnn1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MG7SP5
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM263238 (5-amino-1-(4-pyrazol-1-ylmethyl-benzyl)-1h-pyrazol...) Show SMILES Nc1nn(Cc2ccc(Cn3cccn3)cc2)cc1C(=O)NCc1ccc2c(N)nccc2c1 Show InChI InChI=1S/C25H24N8O/c26-23-21-7-6-19(12-20(21)8-10-28-23)13-29-25(34)22-16-33(31-24(22)27)15-18-4-2-17(3-5-18)14-32-11-1-9-30-32/h1-12,16H,13-15H2,(H2,26,28)(H2,27,31)(H,29,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a	n/a
Kalvista Pharmaceuticals Limited US Patent					Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...				US Patent US9533987 (2017) BindingDB Entry DOI: 10.7270/Q2SX6G78
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM528106 (N-{[5-methoxy-2-(1,2,3,4-tetrazol-1-yl)phenyl]meth...) Show SMILES COCc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCc1cc(OC)ccc1-n1cnnn1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Plasma kallikrein inhibitory activity in vitro was determined using standard published methods (see e.g. Johansen et al., Int. J. Tiss. Reac. 1986, 8...				Citation and Details BindingDB Entry DOI: 10.7270/Q2MG7SP5
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 4352 total )  |  Next  |  Last  >>

Jump to: