Compile Data Set for Download or QSAR

Found 3732 hits with Last Name = 'peterson' and Initial = 'e'   

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
Caspase-3 (Homo sapiens (Human))	BDBM10246 ((4S)-4-{[(1S)-1-{[(2S)-1-carboxy-3-oxopropan-2-yl]...) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C20H30N4O11/c1-9(2)17(20(35)22-11(8-25)6-15(29)30)24-18(33)12(4-5-14(27)28)23-19(34)13(7-16(31)32)21-10(3)26/h8-9,11-13,17H,4-7H2,1-3H3,(H,21,26)(H,22,35)(H,23,34)(H,24,33)(H,27,28)(H,29,30)(H,31,32)/t11-,12-,13-,17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.230	-55.0	n/a	n/a	n/a	n/a	n/a	7.5	25
Merck Research Laboratories					Assay Description The effectiveness of compounds against the activity of human recombinant caspase-1-8 was measured using fluorometric assays. Assays were carried out ...				J Biol Chem 273: 32608-13 (1998) Article DOI: 10.1074/jbc.273.49.32608 BindingDB Entry DOI: 10.7270/Q26D5R5V
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50282978 (3-{(S)-2-[(S)-3-Methyl-2-(3-phenyl-propionylamino)...) Show SMILES CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)NC(CC(O)=O)C(=O)COC(=O)CCc1ccccc1 Show InChI InChI=1S/C31H39N3O8/c1-20(2)29(34-26(36)16-14-22-10-6-4-7-11-22)31(41)32-21(3)30(40)33-24(18-27(37)38)25(35)19-42-28(39)17-15-23-12-8-5-9-13-23/h4-13,20-21,24,29H,14-19H2,1-3H3,(H,32,41)(H,33,40)(H,34,36)(H,37,38)/t21-,24?,29-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for inhibition of cysteine proteinase IL-1 beta converting enzyme (ICE)				Bioorg Med Chem Lett 4: 1965-1968 (1994) Article DOI: 10.1016/S0960-894X(01)80544-8 BindingDB Entry DOI: 10.7270/Q24M94GD
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50282981 (3-{(S)-2-[(S)-3-Methyl-2-(3-phenyl-propionylamino)...) Show SMILES CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)NC(CC(O)=O)C(=O)CNCCc1ccccc1 Show InChI InChI=1S/C30H40N4O6/c1-20(2)28(34-26(36)15-14-22-10-6-4-7-11-22)30(40)32-21(3)29(39)33-24(18-27(37)38)25(35)19-31-17-16-23-12-8-5-9-13-23/h4-13,20-21,24,28,31H,14-19H2,1-3H3,(H,32,40)(H,33,39)(H,34,36)(H,37,38)/t21-,24?,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	Article	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for inhibition of cysteine proteinase IL-1 beta converting enzyme (ICE)				Bioorg Med Chem Lett 4: 1965-1968 (1994) Article DOI: 10.1016/S0960-894X(01)80544-8 BindingDB Entry DOI: 10.7270/Q24M94GD
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50388914 (CHEMBL2063274 | US10357546, p-OH SB-3CT) Show SMILES Oc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1 Show InChI InChI=1S/C15H14O4S2/c16-11-1-3-12(4-2-11)19-13-5-7-15(8-6-13)21(17,18)10-14-9-20-14/h1-8,14,16H,9-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Notre Dame Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP2 expressed in human HeLa cells				J Med Chem 61: 8825-8837 (2018) Article DOI: 10.1021/acs.jmedchem.8b01005 BindingDB Entry DOI: 10.7270/Q2BZ68PX
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50282984 (3-{(S)-2-[(S)-3-Methyl-2-(3-phenyl-propionylamino)...) Show SMILES CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)NC(CC(O)=O)C(=O)CSCCCc1ccccc1 Show InChI InChI=1S/C31H41N3O6S/c1-21(2)29(34-27(36)17-16-24-13-8-5-9-14-24)31(40)32-22(3)30(39)33-25(19-28(37)38)26(35)20-41-18-10-15-23-11-6-4-7-12-23/h4-9,11-14,21-22,25,29H,10,15-20H2,1-3H3,(H,32,40)(H,33,39)(H,34,36)(H,37,38)/t22-,25?,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	Article	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for inhibition of cysteine proteinase IL-1 beta converting enzyme (ICE)				Bioorg Med Chem Lett 4: 1965-1968 (1994) Article DOI: 10.1016/S0960-894X(01)80544-8 BindingDB Entry DOI: 10.7270/Q24M94GD
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM10246 ((4S)-4-{[(1S)-1-{[(2S)-1-carboxy-3-oxopropan-2-yl]...) Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C=O |r| Show InChI InChI=1S/C20H30N4O11/c1-9(2)17(20(35)22-11(8-25)6-15(29)30)24-18(33)12(4-5-14(27)28)23-19(34)13(7-16(31)32)21-10(3)26/h8-9,11-13,17H,4-7H2,1-3H3,(H,21,26)(H,22,35)(H,23,34)(H,24,33)(H,27,28)(H,29,30)(H,31,32)/t11-,12-,13-,17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	18	-44.2	n/a	n/a	n/a	n/a	n/a	7.5	25
Merck Research Laboratories					Assay Description The effectiveness of compounds against the activity of human recombinant caspase-1-8 was measured using fluorometric assays. Assays were carried out ...				J Biol Chem 273: 32608-13 (1998) Article DOI: 10.1074/jbc.273.49.32608 BindingDB Entry DOI: 10.7270/Q26D5R5V
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50459505 (CHEMBL4215451) Show SMILES Cl.NCc1ccc(Oc2ccc(cc2)S(=O)(=O)C[C@H]2CS2)cc1 |r| Show InChI InChI=1S/C16H17NO3S2.ClH/c17-9-12-1-3-13(4-2-12)20-14-5-7-16(8-6-14)22(18,19)11-15-10-21-15;/h1-8,15H,9-11,17H2;1H/t15-;/m1./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Notre Dame Curated by ChEMBL					Assay Description Slow binding inhibition of human recombinant MMP9 catalytic domain using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-NH2 substrate				J Med Chem 61: 8825-8837 (2018) Article DOI: 10.1021/acs.jmedchem.8b01005 BindingDB Entry DOI: 10.7270/Q2BZ68PX
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50282979 (3-{(S)-2-[(S)-3-Methyl-2-(3-phenyl-propionylamino)...) Show SMILES CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)NC(CC(O)=O)C(=O)CS(=O)CCCc1ccccc1 Show InChI InChI=1S/C31H41N3O7S/c1-21(2)29(34-27(36)17-16-24-13-8-5-9-14-24)31(40)32-22(3)30(39)33-25(19-28(37)38)26(35)20-42(41)18-10-15-23-11-6-4-7-12-23/h4-9,11-14,21-22,25,29H,10,15-20H2,1-3H3,(H,32,40)(H,33,39)(H,34,36)(H,37,38)/t22-,25?,29-,42?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for inhibition of cysteine proteinase IL-1 beta converting enzyme (ICE)				Bioorg Med Chem Lett 4: 1965-1968 (1994) Article DOI: 10.1016/S0960-894X(01)80544-8 BindingDB Entry DOI: 10.7270/Q24M94GD
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50264809 (2-((4-phenoxyphenylsulfonyl)methyl)thiirane | CHEM...) Show SMILES O=S(=O)(CC1CS1)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C15H14O3S2/c16-20(17,11-14-10-19-14)15-8-6-13(7-9-15)18-12-4-2-1-3-5-12/h1-9,14H,10-11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Notre Dame Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP2				J Med Chem 61: 8825-8837 (2018) Article DOI: 10.1021/acs.jmedchem.8b01005 BindingDB Entry DOI: 10.7270/Q2BZ68PX
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50459506 (CHEMBL4214929) Show SMILES Cl.NCc1ccc(Oc2ccc(cc2)S(=O)(=O)C[C@@H]2CS2)cc1 |r| Show InChI InChI=1S/C16H17NO3S2.ClH/c17-9-12-1-3-13(4-2-12)20-14-5-7-16(8-6-14)22(18,19)11-15-10-21-15;/h1-8,15H,9-11,17H2;1H/t15-;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Notre Dame Curated by ChEMBL					Assay Description Slow binding inhibition of human recombinant MMP2 using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-NH2 substrate				J Med Chem 61: 8825-8837 (2018) Article DOI: 10.1021/acs.jmedchem.8b01005 BindingDB Entry DOI: 10.7270/Q2BZ68PX
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (Homo sapiens (Human))	BDBM50459506 (CHEMBL4214929) Show SMILES Cl.NCc1ccc(Oc2ccc(cc2)S(=O)(=O)C[C@@H]2CS2)cc1 |r| Show InChI InChI=1S/C16H17NO3S2.ClH/c17-9-12-1-3-13(4-2-12)20-14-5-7-16(8-6-14)22(18,19)11-15-10-21-15;/h1-8,15H,9-11,17H2;1H/t15-;/m0./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Notre Dame Curated by ChEMBL					Assay Description Slow binding inhibition of human recombinant MMP14 catalytic domain using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-NH2 substrate				J Med Chem 61: 8825-8837 (2018) Article DOI: 10.1021/acs.jmedchem.8b01005 BindingDB Entry DOI: 10.7270/Q2BZ68PX
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50282980 (5-(Benzyl-phenethyl-amino)-3-{(S)-2-[(S)-3-methyl-...) Show SMILES CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)NC(CC(O)=O)C(=O)CN(CCc1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C37H46N4O6/c1-26(2)35(40-33(43)20-19-28-13-7-4-8-14-28)37(47)38-27(3)36(46)39-31(23-34(44)45)32(42)25-41(24-30-17-11-6-12-18-30)22-21-29-15-9-5-10-16-29/h4-18,26-27,31,35H,19-25H2,1-3H3,(H,38,47)(H,39,46)(H,40,43)(H,44,45)/t27-,31?,35-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for inhibition of cysteine proteinase IL-1 beta converting enzyme (ICE)				Bioorg Med Chem Lett 4: 1965-1968 (1994) Article DOI: 10.1016/S0960-894X(01)80544-8 BindingDB Entry DOI: 10.7270/Q24M94GD
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM389618 (US10357546, ND-336 | US9951035, ND-336 (5)) Show SMILES NCc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1 Show InChI InChI=1S/C16H17NO3S2/c17-9-12-1-3-13(4-2-12)20-14-5-7-16(8-6-14)22(18,19)11-15-10-21-15/h1-8,15H,9-11,17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Notre Dame Curated by ChEMBL					Assay Description Slow binding inhibition of human recombinant MMP2 using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-NH2 substrate				J Med Chem 61: 8825-8837 (2018) Article DOI: 10.1021/acs.jmedchem.8b01005 BindingDB Entry DOI: 10.7270/Q2BZ68PX
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50284744 (3-Allyloxycarbonylamino-5-[3-(1H-imidazol-2-yl)-na...) Show SMILES OC(=O)C[C@H](NC(=O)OCC=C)C(=O)COc1cc2ccccc2cc1-c1ncc[nH]1 Show InChI InChI=1S/C22H21N3O6/c1-2-9-30-22(29)25-17(12-20(27)28)18(26)13-31-19-11-15-6-4-3-5-14(15)10-16(19)21-23-7-8-24-21/h2-8,10-11,17H,1,9,12-13H2,(H,23,24)(H,25,29)(H,27,28)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of IL-1 beta converting enzyme (ICE) in human blood monocytes expressed as Kon				Bioorg Med Chem Lett 5: 1409-1414 (1995) Article DOI: 10.1016/0960-894X(95)00232-I BindingDB Entry DOI: 10.7270/Q2319VTD
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50282983 (3-{(S)-2-[(S)-3-Methyl-2-(3-phenyl-propionylamino)...) Show SMILES CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)NC(CC(O)=O)C(=O)CCCCc1ccccc1 Show InChI InChI=1S/C31H41N3O6/c1-21(2)29(34-27(36)19-18-24-14-8-5-9-15-24)31(40)32-22(3)30(39)33-25(20-28(37)38)26(35)17-11-10-16-23-12-6-4-7-13-23/h4-9,12-15,21-22,25,29H,10-11,16-20H2,1-3H3,(H,32,40)(H,33,39)(H,34,36)(H,37,38)/t22-,25?,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	Article	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for inhibition of cysteine proteinase IL-1 beta converting enzyme (ICE)				Bioorg Med Chem Lett 4: 1965-1968 (1994) Article DOI: 10.1016/S0960-894X(01)80544-8 BindingDB Entry DOI: 10.7270/Q24M94GD
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50282977 (3-{(S)-2-[(S)-3-Methyl-2-(3-phenyl-propionylamino)...) Show SMILES CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)NC(CC(O)=O)C(=O)CS(=O)(=O)CCCc1ccccc1 Show InChI InChI=1S/C31H41N3O8S/c1-21(2)29(34-27(36)17-16-24-13-8-5-9-14-24)31(40)32-22(3)30(39)33-25(19-28(37)38)26(35)20-43(41,42)18-10-15-23-11-6-4-7-12-23/h4-9,11-14,21-22,25,29H,10,15-20H2,1-3H3,(H,32,40)(H,33,39)(H,34,36)(H,37,38)/t22-,25?,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	Article	113	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for inhibition of cysteine proteinase IL-1 beta converting enzyme (ICE)				Bioorg Med Chem Lett 4: 1965-1968 (1994) Article DOI: 10.1016/S0960-894X(01)80544-8 BindingDB Entry DOI: 10.7270/Q24M94GD
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (Homo sapiens (Human))	BDBM50459505 (CHEMBL4215451) Show SMILES Cl.NCc1ccc(Oc2ccc(cc2)S(=O)(=O)C[C@H]2CS2)cc1 |r| Show InChI InChI=1S/C16H17NO3S2.ClH/c17-9-12-1-3-13(4-2-12)20-14-5-7-16(8-6-14)22(18,19)11-15-10-21-15;/h1-8,15H,9-11,17H2;1H/t15-;/m1./s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	119	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Notre Dame Curated by ChEMBL					Assay Description Slow binding inhibition of human recombinant MMP14 catalytic domain using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-NH2 substrate				J Med Chem 61: 8825-8837 (2018) Article DOI: 10.1021/acs.jmedchem.8b01005 BindingDB Entry DOI: 10.7270/Q2BZ68PX
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50282982 (5-Benzylcarbamoyloxy-3-{(S)-2-[(S)-3-methyl-2-(3-p...) Show SMILES CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)NC(CC(O)=O)C(=O)COC(=O)NCc1ccccc1 Show InChI InChI=1S/C30H38N4O8/c1-19(2)27(34-25(36)15-14-21-10-6-4-7-11-21)29(40)32-20(3)28(39)33-23(16-26(37)38)24(35)18-42-30(41)31-17-22-12-8-5-9-13-22/h4-13,19-20,23,27H,14-18H2,1-3H3,(H,31,41)(H,32,40)(H,33,39)(H,34,36)(H,37,38)/t20-,23?,27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for inhibition of cysteine proteinase IL-1 beta converting enzyme (ICE)				Bioorg Med Chem Lett 4: 1965-1968 (1994) Article DOI: 10.1016/S0960-894X(01)80544-8 BindingDB Entry DOI: 10.7270/Q24M94GD
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (Homo sapiens (Human))	BDBM389618 (US10357546, ND-336 | US9951035, ND-336 (5)) Show SMILES NCc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1 Show InChI InChI=1S/C16H17NO3S2/c17-9-12-1-3-13(4-2-12)20-14-5-7-16(8-6-14)22(18,19)11-15-10-21-15/h1-8,15H,9-11,17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Notre Dame Curated by ChEMBL					Assay Description Slow binding inhibition of human recombinant MMP14 catalytic domain using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-NH2 substrate				J Med Chem 61: 8825-8837 (2018) Article DOI: 10.1021/acs.jmedchem.8b01005 BindingDB Entry DOI: 10.7270/Q2BZ68PX
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50459505 (CHEMBL4215451) Show SMILES Cl.NCc1ccc(Oc2ccc(cc2)S(=O)(=O)C[C@H]2CS2)cc1 |r| Show InChI InChI=1S/C16H17NO3S2.ClH/c17-9-12-1-3-13(4-2-12)20-14-5-7-16(8-6-14)22(18,19)11-15-10-21-15;/h1-8,15H,9-11,17H2;1H/t15-;/m1./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	127	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Notre Dame Curated by ChEMBL					Assay Description Slow binding inhibition of human recombinant MMP2 using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-NH2 substrate				J Med Chem 61: 8825-8837 (2018) Article DOI: 10.1021/acs.jmedchem.8b01005 BindingDB Entry DOI: 10.7270/Q2BZ68PX
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM389618 (US10357546, ND-336 | US9951035, ND-336 (5)) Show SMILES NCc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1 Show InChI InChI=1S/C16H17NO3S2/c17-9-12-1-3-13(4-2-12)20-14-5-7-16(8-6-14)22(18,19)11-15-10-21-15/h1-8,15H,9-11,17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Notre Dame Curated by ChEMBL					Assay Description Slow binding inhibition of human recombinant MMP9 catalytic domain using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-NH2 substrate				J Med Chem 61: 8825-8837 (2018) Article DOI: 10.1021/acs.jmedchem.8b01005 BindingDB Entry DOI: 10.7270/Q2BZ68PX
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50388914 (CHEMBL2063274 | US10357546, p-OH SB-3CT) Show SMILES Oc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1 Show InChI InChI=1S/C15H14O4S2/c16-11-1-3-12(4-2-11)19-13-5-7-15(8-6-13)21(17,18)10-14-9-20-14/h1-8,14,16H,9-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Notre Dame Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP9 expressed in human HeLa cells				J Med Chem 61: 8825-8837 (2018) Article DOI: 10.1021/acs.jmedchem.8b01005 BindingDB Entry DOI: 10.7270/Q2BZ68PX
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50459506 (CHEMBL4214929) Show SMILES Cl.NCc1ccc(Oc2ccc(cc2)S(=O)(=O)C[C@@H]2CS2)cc1 |r| Show InChI InChI=1S/C16H17NO3S2.ClH/c17-9-12-1-3-13(4-2-12)20-14-5-7-16(8-6-14)22(18,19)11-15-10-21-15;/h1-8,15H,9-11,17H2;1H/t15-;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Notre Dame Curated by ChEMBL					Assay Description Slow binding inhibition of human recombinant MMP9 catalytic domain using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg-NH2 substrate				J Med Chem 61: 8825-8837 (2018) Article DOI: 10.1021/acs.jmedchem.8b01005 BindingDB Entry DOI: 10.7270/Q2BZ68PX
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50284735 (3-Allyloxycarbonylamino-5-(3-carbamoyl-naphthalen-...) Show SMILES NC(=O)c1cc2ccccc2cc1OCC(=O)C(CC(O)=O)NC(=O)OCC=C Show InChI InChI=1S/C20H20N2O7/c1-2-7-28-20(27)22-15(10-18(24)25)16(23)11-29-17-9-13-6-4-3-5-12(13)8-14(17)19(21)26/h2-6,8-9,15H,1,7,10-11H2,(H2,21,26)(H,22,27)(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of IL-1 beta converting enzyme (ICE) in human blood monocytes expressed as Kon				Bioorg Med Chem Lett 5: 1409-1414 (1995) Article DOI: 10.1016/0960-894X(95)00232-I BindingDB Entry DOI: 10.7270/Q2319VTD
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50264809 (2-((4-phenoxyphenylsulfonyl)methyl)thiirane | CHEM...) Show SMILES O=S(=O)(CC1CS1)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C15H14O3S2/c16-20(17,11-14-10-19-14)15-8-6-13(7-9-15)18-12-4-2-1-3-5-12/h1-9,14H,10-11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Notre Dame Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP9				J Med Chem 61: 8825-8837 (2018) Article DOI: 10.1021/acs.jmedchem.8b01005 BindingDB Entry DOI: 10.7270/Q2BZ68PX
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50284734 (3-Allyloxycarbonylamino-4-oxo-5-(3-phenylcarbamoyl...) Show SMILES OC(=O)CC(NC(=O)OCC=C)C(=O)COc1cc2ccccc2cc1C(=O)Nc1ccccc1 Show InChI InChI=1S/C26H24N2O7/c1-2-12-34-26(33)28-21(15-24(30)31)22(29)16-35-23-14-18-9-7-6-8-17(18)13-20(23)25(32)27-19-10-4-3-5-11-19/h2-11,13-14,21H,1,12,15-16H2,(H,27,32)(H,28,33)(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity determined against ETA receptor in porcine aortic smooth muscle membrane				Bioorg Med Chem Lett 5: 1409-1414 (1995) Article DOI: 10.1016/0960-894X(95)00232-I BindingDB Entry DOI: 10.7270/Q2319VTD
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50284733 (3-Allyloxycarbonylamino-5-(3-cyano-naphthalen-2-yl...) Show SMILES OC(=O)CC(NC(=O)OCC=C)C(=O)COc1cc2ccccc2cc1C#N Show InChI InChI=1S/C20H18N2O6/c1-2-7-27-20(26)22-16(10-19(24)25)17(23)12-28-18-9-14-6-4-3-5-13(14)8-15(18)11-21/h2-6,8-9,16H,1,7,10,12H2,(H,22,26)(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound was determined against ETA receptor in porcine aortic smooth muscle membrane				Bioorg Med Chem Lett 5: 1409-1414 (1995) Article DOI: 10.1016/0960-894X(95)00232-I BindingDB Entry DOI: 10.7270/Q2319VTD
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50284740 (3-Allyloxycarbonylamino-5-(3-hydroxymethyl-naphtha...) Show SMILES OCc1cc2ccccc2cc1OCC(=O)C(CC(O)=O)NC(=O)OCC=C Show InChI InChI=1S/C20H21NO7/c1-2-7-27-20(26)21-16(10-19(24)25)17(23)12-28-18-9-14-6-4-3-5-13(14)8-15(18)11-22/h2-6,8-9,16,22H,1,7,10-12H2,(H,21,26)(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of IL-1 beta converting enzyme (ICE) in human blood monocytes expressed as Kon				Bioorg Med Chem Lett 5: 1409-1414 (1995) Article DOI: 10.1016/0960-894X(95)00232-I BindingDB Entry DOI: 10.7270/Q2319VTD
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50213208 (CHEMBL3143890) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)COc1cc2ccccc2cc1C(N)=O |r| Show InChI InChI=1S/C32H36N4O9/c1-18(2)28(36-32(43)45-16-20-9-5-4-6-10-20)31(42)34-19(3)30(41)35-24(15-27(38)39)25(37)17-44-26-14-22-12-8-7-11-21(22)13-23(26)29(33)40/h4-14,18-19,24,28H,15-17H2,1-3H3,(H2,33,40)(H,34,42)(H,35,41)(H,36,43)(H,38,39)/t19-,24-,28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound was determined against ETA receptor in porcine aortic smooth muscle membrane				Bioorg Med Chem Lett 5: 1409-1414 (1995) Article DOI: 10.1016/0960-894X(95)00232-I BindingDB Entry DOI: 10.7270/Q2319VTD
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50284745 (3-Allyloxycarbonylamino-5-(4-carbamoyl-biphenyl-3-...) Show SMILES NC(=O)c1ccc(cc1OCC(=O)C(CC(O)=O)NC(=O)OCC=C)-c1ccccc1 Show InChI InChI=1S/C22H22N2O7/c1-2-10-30-22(29)24-17(12-20(26)27)18(25)13-31-19-11-15(8-9-16(19)21(23)28)14-6-4-3-5-7-14/h2-9,11,17H,1,10,12-13H2,(H2,23,28)(H,24,29)(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of IL-1 beta converting enzyme (ICE) in human blood monocytes expressed as Kon				Bioorg Med Chem Lett 5: 1409-1414 (1995) Article DOI: 10.1016/0960-894X(95)00232-I BindingDB Entry DOI: 10.7270/Q2319VTD
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50264809 (2-((4-phenoxyphenylsulfonyl)methyl)thiirane | CHEM...) Show SMILES O=S(=O)(CC1CS1)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C15H14O3S2/c16-20(17,11-14-10-19-14)15-8-6-13(7-9-15)18-12-4-2-1-3-5-12/h1-9,14H,10-11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Notre Dame Curated by ChEMBL					Assay Description Non-competitive inhibition of MMP8 (unknown origin)				J Med Chem 61: 8825-8837 (2018) Article DOI: 10.1021/acs.jmedchem.8b01005 BindingDB Entry DOI: 10.7270/Q2BZ68PX
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50459506 (CHEMBL4214929) Show SMILES Cl.NCc1ccc(Oc2ccc(cc2)S(=O)(=O)C[C@@H]2CS2)cc1 |r| Show InChI InChI=1S/C16H17NO3S2.ClH/c17-9-12-1-3-13(4-2-12)20-14-5-7-16(8-6-14)22(18,19)11-15-10-21-15;/h1-8,15H,9-11,17H2;1H/t15-;/m0./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Notre Dame Curated by ChEMBL					Assay Description Non-competitive inhibition of human recombinant MMP8 catalytic domain using Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate				J Med Chem 61: 8825-8837 (2018) Article DOI: 10.1021/acs.jmedchem.8b01005 BindingDB Entry DOI: 10.7270/Q2BZ68PX
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50284741 (3-(3-Allyloxycarbonylamino-4-carboxy-2-oxo-butoxy)...) Show SMILES COC(=O)c1cc2ccccc2cc1OCC(=O)C(CC(O)=O)NC(=O)OCC=C Show InChI InChI=1S/C21H21NO8/c1-3-8-29-21(27)22-16(11-19(24)25)17(23)12-30-18-10-14-7-5-4-6-13(14)9-15(18)20(26)28-2/h3-7,9-10,16H,1,8,11-12H2,2H3,(H,22,27)(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of IL-1 beta converting enzyme (ICE) in human blood monocytes expressed as Kon				Bioorg Med Chem Lett 5: 1409-1414 (1995) Article DOI: 10.1016/0960-894X(95)00232-I BindingDB Entry DOI: 10.7270/Q2319VTD
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50284743 (3-Allyloxycarbonylamino-4-oxo-5-phenoxy-pentanoic ...) Show SMILES OC(=O)CC(NC(=O)OCC=C)C(=O)COc1ccccc1 Show InChI InChI=1S/C15H17NO6/c1-2-8-21-15(20)16-12(9-14(18)19)13(17)10-22-11-6-4-3-5-7-11/h2-7,12H,1,8-10H2,(H,16,20)(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of IL-1 beta converting enzyme (ICE) in human blood monocytes expressed as Kon				Bioorg Med Chem Lett 5: 1409-1414 (1995) Article DOI: 10.1016/0960-894X(95)00232-I BindingDB Entry DOI: 10.7270/Q2319VTD
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50284727 (3-Allyloxycarbonylamino-5-(3-cyclohexyl-propionylo...) Show SMILES OC(=O)C[C@H](NC(=O)OCC=C)C(=O)COC(=O)CCC1CCCCC1 Show InChI InChI=1S/C18H27NO7/c1-2-10-25-18(24)19-14(11-16(21)22)15(20)12-26-17(23)9-8-13-6-4-3-5-7-13/h2,13-14H,1,3-12H2,(H,19,24)(H,21,22)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of IL-1 beta converting enzyme (ICE) in human blood monocytes				Bioorg Med Chem Lett 5: 1405-1408 (1995) Article DOI: 10.1016/0960-894X(95)00231-H BindingDB Entry DOI: 10.7270/Q26T0MKT
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50284748 (3-Allyloxycarbonylamino-5-(2-carbamoyl-phenoxy)-4-...) Show SMILES NC(=O)c1ccccc1OCC(=O)C(CC(O)=O)NC(=O)OCC=C Show InChI InChI=1S/C16H18N2O7/c1-2-7-24-16(23)18-11(8-14(20)21)12(19)9-25-13-6-4-3-5-10(13)15(17)22/h2-6,11H,1,7-9H2,(H2,17,22)(H,18,23)(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of IL-1 beta converting enzyme (ICE) in human blood monocytes expressed as Kon				Bioorg Med Chem Lett 5: 1409-1414 (1995) Article DOI: 10.1016/0960-894X(95)00232-I BindingDB Entry DOI: 10.7270/Q2319VTD
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50284749 (3-Allyloxycarbonylamino-5-(naphthalen-2-yloxy)-4-o...) Show SMILES OC(=O)CC(NC(=O)OCC=C)C(=O)COc1ccc2ccccc2c1 Show InChI InChI=1S/C19H19NO6/c1-2-9-25-19(24)20-16(11-18(22)23)17(21)12-26-15-8-7-13-5-3-4-6-14(13)10-15/h2-8,10,16H,1,9,11-12H2,(H,20,24)(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of IL-1 beta converting enzyme (ICE) in human blood monocytes expressed as Kon				Bioorg Med Chem Lett 5: 1409-1414 (1995) Article DOI: 10.1016/0960-894X(95)00232-I BindingDB Entry DOI: 10.7270/Q2319VTD
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50284732 (3-Allyloxycarbonylamino-4-oxo-5-phenethylamino-pen...) Show SMILES OC(=O)C[C@H](NC(=O)OCC=C)C(=O)CNCCc1ccccc1 Show InChI InChI=1S/C17H22N2O5/c1-2-10-24-17(23)19-14(11-16(21)22)15(20)12-18-9-8-13-6-4-3-5-7-13/h2-7,14,18H,1,8-12H2,(H,19,23)(H,21,22)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of IL-1 beta converting enzyme (ICE) in human blood monocytes				Bioorg Med Chem Lett 5: 1405-1408 (1995) Article DOI: 10.1016/0960-894X(95)00231-H BindingDB Entry DOI: 10.7270/Q26T0MKT
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50284739 (3-[2-(2-Benzyloxycarbonylamino-3-methyl-butyrylami...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)COc1ccccc1 |r| Show InChI InChI=1S/C27H33N3O8/c1-17(2)24(30-27(36)38-15-19-10-6-4-7-11-19)26(35)28-18(3)25(34)29-21(14-23(32)33)22(31)16-37-20-12-8-5-9-13-20/h4-13,17-18,21,24H,14-16H2,1-3H3,(H,28,35)(H,29,34)(H,30,36)(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of IL-1 beta converting enzyme (ICE) in human blood monocytes expressed as Kon				Bioorg Med Chem Lett 5: 1409-1414 (1995) Article DOI: 10.1016/0960-894X(95)00232-I BindingDB Entry DOI: 10.7270/Q2319VTD
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM389618 (US10357546, ND-336 | US9951035, ND-336 (5)) Show SMILES NCc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1 Show InChI InChI=1S/C16H17NO3S2/c17-9-12-1-3-13(4-2-12)20-14-5-7-16(8-6-14)22(18,19)11-15-10-21-15/h1-8,15H,9-11,17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Notre Dame Curated by ChEMBL					Assay Description Non-competitive inhibition of human recombinant MMP8 catalytic domain using Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate				J Med Chem 61: 8825-8837 (2018) Article DOI: 10.1021/acs.jmedchem.8b01005 BindingDB Entry DOI: 10.7270/Q2BZ68PX
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50459505 (CHEMBL4215451) Show SMILES Cl.NCc1ccc(Oc2ccc(cc2)S(=O)(=O)C[C@H]2CS2)cc1 |r| Show InChI InChI=1S/C16H17NO3S2.ClH/c17-9-12-1-3-13(4-2-12)20-14-5-7-16(8-6-14)22(18,19)11-15-10-21-15;/h1-8,15H,9-11,17H2;1H/t15-;/m1./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	8.59E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Notre Dame Curated by ChEMBL					Assay Description Non-competitive inhibition of human recombinant MMP8 catalytic domain using Mca-Lys-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate				J Med Chem 61: 8825-8837 (2018) Article DOI: 10.1021/acs.jmedchem.8b01005 BindingDB Entry DOI: 10.7270/Q2BZ68PX
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50284747 (3-Allyloxycarbonylamino-5-(naphthalen-1-yloxy)-4-o...) Show SMILES OC(=O)CC(NC(=O)OCC=C)C(=O)COc1cccc2ccccc12 Show InChI InChI=1S/C19H19NO6/c1-2-10-25-19(24)20-15(11-18(22)23)16(21)12-26-17-9-5-7-13-6-3-4-8-14(13)17/h2-9,15H,1,10-12H2,(H,20,24)(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	9.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of IL-1 beta converting enzyme (ICE) in human blood monocytes expressed as Kon				Bioorg Med Chem Lett 5: 1409-1414 (1995) Article DOI: 10.1016/0960-894X(95)00232-I BindingDB Entry DOI: 10.7270/Q2319VTD
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50284737 (3-Allyloxycarbonylamino-5-(1-carbamoyl-naphthalen-...) Show SMILES NC(=O)c1c(OCC(=O)C(CC(O)=O)NC(=O)OCC=C)ccc2ccccc12 Show InChI InChI=1S/C20H20N2O7/c1-2-9-28-20(27)22-14(10-17(24)25)15(23)11-29-16-8-7-12-5-3-4-6-13(12)18(16)19(21)26/h2-8,14H,1,9-11H2,(H2,21,26)(H,22,27)(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	>1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of IL-1 beta converting enzyme (ICE) in human blood monocytes expressed as Kon				Bioorg Med Chem Lett 5: 1409-1414 (1995) Article DOI: 10.1016/0960-894X(95)00232-I BindingDB Entry DOI: 10.7270/Q2319VTD
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50284724 (3-Allyloxycarbonylamino-4-oxo-5-(3-phenyl-propiony...) Show SMILES OC(=O)C[C@H](NC(=O)OCC=C)C(=O)COC(=O)CCc1ccccc1 Show InChI InChI=1S/C18H21NO7/c1-2-10-25-18(24)19-14(11-16(21)22)15(20)12-26-17(23)9-8-13-6-4-3-5-7-13/h2-7,14H,1,8-12H2,(H,19,24)(H,21,22)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of IL-1 beta converting enzyme (ICE) in human blood monocytes				Bioorg Med Chem Lett 5: 1405-1408 (1995) Article DOI: 10.1016/0960-894X(95)00231-H BindingDB Entry DOI: 10.7270/Q26T0MKT
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50284736 (3-Allyloxycarbonylamino-5-(2-carbamoyl-naphthalen-...) Show SMILES NC(=O)c1ccc2ccccc2c1OCC(=O)C(CC(O)=O)NC(=O)OCC=C Show InChI InChI=1S/C20H20N2O7/c1-2-9-28-20(27)22-15(10-17(24)25)16(23)11-29-18-13-6-4-3-5-12(13)7-8-14(18)19(21)26/h2-8,15H,1,9-11H2,(H2,21,26)(H,22,27)(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	>2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of IL-1 beta converting enzyme (ICE) in human blood monocytes expressed as Kon				Bioorg Med Chem Lett 5: 1409-1414 (1995) Article DOI: 10.1016/0960-894X(95)00232-I BindingDB Entry DOI: 10.7270/Q2319VTD
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50284722 (3-Allyloxycarbonylamino-4-oxo-5-(3-phenoxy-propion...) Show SMILES OC(=O)C[C@H](NC(=O)OCC=C)C(=O)COC(=O)CCOc1ccccc1 Show InChI InChI=1S/C18H21NO8/c1-2-9-26-18(24)19-14(11-16(21)22)15(20)12-27-17(23)8-10-25-13-6-4-3-5-7-13/h2-7,14H,1,8-12H2,(H,19,24)(H,21,22)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of IL-1 beta converting enzyme (ICE) in human blood monocytes				Bioorg Med Chem Lett 5: 1405-1408 (1995) Article DOI: 10.1016/0960-894X(95)00231-H BindingDB Entry DOI: 10.7270/Q26T0MKT
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50284718 (3-Benzyloxycarbonylamino-4-oxo-5-(3-phenyl-propoxy...) Show SMILES OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)COCCCc1ccccc1 Show InChI InChI=1S/C22H25NO6/c24-20(16-28-13-7-12-17-8-3-1-4-9-17)19(14-21(25)26)23-22(27)29-15-18-10-5-2-6-11-18/h1-6,8-11,19H,7,12-16H2,(H,23,27)(H,25,26)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of IL-1 beta converting enzyme (ICE) in human blood monocytes				Bioorg Med Chem Lett 5: 1405-1408 (1995) Article DOI: 10.1016/0960-894X(95)00231-H BindingDB Entry DOI: 10.7270/Q26T0MKT
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50284726 (3-Allyloxycarbonylamino-4-oxo-5-(3-phenyl-propylsu...) Show SMILES OC(=O)C[C@H](NC(=O)OCC=C)C(=O)CSCCCc1ccccc1 Show InChI InChI=1S/C18H23NO5S/c1-2-10-24-18(23)19-15(12-17(21)22)16(20)13-25-11-6-9-14-7-4-3-5-8-14/h2-5,7-8,15H,1,6,9-13H2,(H,19,23)(H,21,22)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of IL-1 beta converting enzyme (ICE) in human blood monocytes				Bioorg Med Chem Lett 5: 1405-1408 (1995) Article DOI: 10.1016/0960-894X(95)00231-H BindingDB Entry DOI: 10.7270/Q26T0MKT
					More data for this Ligand-Target Pair
Caspase-1 (Homo sapiens (Human))	BDBM50284738 (3-Allyloxycarbonylamino-5-(3-dimethylcarbamoyl-nap...) Show SMILES CN(C)C(=O)c1cc2ccccc2cc1OCC(=O)C(CC(O)=O)NC(=O)OCC=C Show InChI InChI=1S/C22H24N2O7/c1-4-9-30-22(29)23-17(12-20(26)27)18(25)13-31-19-11-15-8-6-5-7-14(15)10-16(19)21(28)24(2)3/h4-8,10-11,17H,1,9,12-13H2,2-3H3,(H,23,29)(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	>2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of IL-1 beta converting enzyme (ICE) in human blood monocytes expressed as Kon				Bioorg Med Chem Lett 5: 1409-1414 (1995) Article DOI: 10.1016/0960-894X(95)00232-I BindingDB Entry DOI: 10.7270/Q2319VTD
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50269118 (CHEMBL4100413) Show SMILES FC(F)Oc1cccnc1-c1cccc(c1)C(=O)Nc1cccc(c1-c1cccnc1)C(F)(F)F Show InChI InChI=1S/C25H16F5N3O2/c26-24(27)35-20-10-4-12-32-22(20)15-5-1-6-16(13-15)23(34)33-19-9-2-8-18(25(28,29)30)21(19)17-7-3-11-31-14-17/h1-14,24H,(H,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 27: 3817-3824 (2017) Article DOI: 10.1016/j.bmcl.2017.06.054 BindingDB Entry DOI: 10.7270/Q2RB773S
					More data for this Ligand-Target Pair

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