Compile Data Set for Download or QSAR

Found 3527 hits with Last Name = 'enz' and Initial = 'a'   

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
Substance-K receptor (Homo sapiens (Human))	BDBM50404016 (CHEMBL2112922) Show SMILES O=C(C1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)CNC1=O)N1CCC(CC1)N1CCCCC1 Show InChI InChI=1S/C44H53N7O5/c52-40-27-36(44(56)51-22-18-34(19-23-51)50-20-10-3-11-21-50)41(53)46-29-33(24-30-12-4-1-5-13-30)47-42(54)38(25-31-14-6-2-7-15-31)49-43(55)39(48-40)26-32-28-45-37-17-9-8-16-35(32)37/h1-2,4-9,12-17,28,33-34,36,38-39,45H,3,10-11,18-27,29H2,(H,46,53)(H,47,54)(H,48,52)(H,49,55)/t33-,36?,38-,39-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche S.p.A. Laboratori di Firenze Curated by ChEMBL					Assay Description In vitro functional activity towards Neurokinin NK2 receptor on isolated rabbit urinary bladder (RUB)				Bioorg Med Chem Lett 12: 693-6 (2002) BindingDB Entry DOI: 10.7270/Q22N53FR
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50331515 (CHEMBL1708 | PAROXETINE | Paroxetine hydrochloride...) Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1 |r| Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from serotonin transporter in Sprague-Dawley rat brain after 1 hr by liquid scintillation counting				Bioorg Med Chem 18: 8356-64 (2010) Article DOI: 10.1016/j.bmc.2010.09.060 BindingDB Entry DOI: 10.7270/Q2CN744P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Substance-K receptor (Homo sapiens (Human))	BDBM50404016 (CHEMBL2112922) Show SMILES O=C(C1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)CNC1=O)N1CCC(CC1)N1CCCCC1 Show InChI InChI=1S/C44H53N7O5/c52-40-27-36(44(56)51-22-18-34(19-23-51)50-20-10-3-11-21-50)41(53)46-29-33(24-30-12-4-1-5-13-30)47-42(54)38(25-31-14-6-2-7-15-31)49-43(55)39(48-40)26-32-28-45-37-17-9-8-16-35(32)37/h1-2,4-9,12-17,28,33-34,36,38-39,45H,3,10-11,18-27,29H2,(H,46,53)(H,47,54)(H,48,52)(H,49,55)/t33-,36?,38-,39-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche S.p.A. Laboratori di Firenze Curated by ChEMBL					Assay Description In vitro functional activity towards Neurokinin NK2 receptor on isolated rabbit urinary bladder (RUB)				Bioorg Med Chem Lett 12: 693-6 (2002) BindingDB Entry DOI: 10.7270/Q22N53FR
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM11889 (N-Hydroxy-2-methyl-2-[(4-phenoxyphenyl)sulfonyl]-p...) Show SMILES CC(C)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C16H17NO5S/c1-16(2,15(18)17-19)23(20,21)14-10-8-13(9-11-14)22-12-6-4-3-5-7-12/h3-11,19H,1-2H3,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM11878 (1-Acetyl-N-hydroxy-4-{[4-(phenoxyphenyl]sulfonyl}-...) Show SMILES CC(=O)N1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C20H22N2O6S/c1-15(23)22-13-11-20(12-14-22,19(24)21-25)29(26,27)18-9-7-17(8-10-18)28-16-5-3-2-4-6-16/h2-10,25H,11-14H2,1H3,(H,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM11876 (1-(Cyclopropylmethyl)-N-hydroxy-4-[(4-phenoxypheny...) Show SMILES ONC(=O)C1(CCN(CC2CC2)CC1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C22H26N2O5S/c25-21(23-26)22(12-14-24(15-13-22)16-17-6-7-17)30(27,28)20-10-8-19(9-11-20)29-18-4-2-1-3-5-18/h1-5,8-11,17,26H,6-7,12-16H2,(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM11874 (N-Hydroxy-1-(2-methoxyethyl)-4-{[4-(phenoxyphenyl]...) Show SMILES COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C21H26N2O6S/c1-28-16-15-23-13-11-21(12-14-23,20(24)22-25)30(26,27)19-9-7-18(8-10-19)29-17-5-3-2-4-6-17/h2-10,25H,11-16H2,1H3,(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM11873 (N-Hydroxy-1-methyl-4-{[4-(phenoxyphenyl]sulfonyl}-...) Show SMILES CN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C19H22N2O5S/c1-21-13-11-19(12-14-21,18(22)20-23)27(24,25)17-9-7-16(8-10-17)26-15-5-3-2-4-6-15/h2-10,23H,11-14H2,1H3,(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM11883 (1-Cyclopropyl-N-hydroxy-4-{[4-(phenylthio)phenyl]-...) Show SMILES ONC(=O)C1(CCN(CC1)C1CC1)S(=O)(=O)c1ccc(Sc2ccccc2)cc1 Show InChI InChI=1S/C21H24N2O4S2/c24-20(22-25)21(12-14-23(15-13-21)16-6-7-16)29(26,27)19-10-8-18(9-11-19)28-17-4-2-1-3-5-17/h1-5,8-11,16,25H,6-7,12-15H2,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM11878 (1-Acetyl-N-hydroxy-4-{[4-(phenoxyphenyl]sulfonyl}-...) Show SMILES CC(=O)N1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C20H22N2O6S/c1-15(23)22-13-11-20(12-14-22,19(24)21-25)29(26,27)18-9-7-17(8-10-18)28-16-5-3-2-4-6-16/h2-10,25H,11-14H2,1H3,(H,21,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM11876 (1-(Cyclopropylmethyl)-N-hydroxy-4-[(4-phenoxypheny...) Show SMILES ONC(=O)C1(CCN(CC2CC2)CC1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C22H26N2O5S/c25-21(23-26)22(12-14-24(15-13-22)16-17-6-7-17)30(27,28)20-10-8-19(9-11-20)29-18-4-2-1-3-5-18/h1-5,8-11,17,26H,6-7,12-16H2,(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM11874 (N-Hydroxy-1-(2-methoxyethyl)-4-{[4-(phenoxyphenyl]...) Show SMILES COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C21H26N2O6S/c1-28-16-15-23-13-11-21(12-14-23,20(24)22-25)30(26,27)19-9-7-18(8-10-19)29-17-5-3-2-4-6-17/h2-10,25H,11-16H2,1H3,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM11873 (N-Hydroxy-1-methyl-4-{[4-(phenoxyphenyl]sulfonyl}-...) Show SMILES CN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C19H22N2O5S/c1-21-13-11-19(12-14-21,18(22)20-23)27(24,25)17-9-7-16(8-10-17)26-15-5-3-2-4-6-15/h2-10,23H,11-14H2,1H3,(H,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM11870 (4-{[4-(4-Chlorophenoxy)phenyl]sulfonyl}-N-hydroxy ...) Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C18H18ClNO6S/c19-13-1-3-14(4-2-13)26-15-5-7-16(8-6-15)27(23,24)18(17(21)20-22)9-11-25-12-10-18/h1-8,22H,9-12H2,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50472916 (CHEMBL223221 | MEN-11690) Show SMILES Clc1ccc(C[C@@H]2CNC(=O)CCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N2)cc1Cl |r| Show InChI InChI=1S/C33H33Cl2N5O4/c34-25-11-10-21(15-26(25)35)14-23-19-37-30(41)12-13-31(42)39-29(17-22-18-36-27-9-5-4-8-24(22)27)33(44)40-28(32(43)38-23)16-20-6-2-1-3-7-20/h1-11,15,18,23,28-29,36H,12-14,16-17,19H2,(H,37,41)(H,38,43)(H,39,42)(H,40,44)/t23-,28+,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche S.p.A. Curated by ChEMBL					Assay Description Binding affinity towards Tachykinin receptor 2				J Med Chem 43: 4041-4 (2000) Article DOI: 10.1021/jm0010217 BindingDB Entry DOI: 10.7270/Q2Z322CV
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50404025 (CHEMBL2112925) Show SMILES O=C(C1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)CNC1=O)N1CCOCC1 Show InChI InChI=1S/C38H42N6O6/c45-34-22-30(38(49)44-15-17-50-18-16-44)35(46)40-24-28(19-25-9-3-1-4-10-25)41-36(47)32(20-26-11-5-2-6-12-26)43-37(48)33(42-34)21-27-23-39-31-14-8-7-13-29(27)31/h1-14,23,28,30,32-33,39H,15-22,24H2,(H,40,46)(H,41,47)(H,42,45)(H,43,48)/t28-,30?,32-,33-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche S.p.A. Laboratori di Firenze Curated by ChEMBL					Assay Description In vitro functional activity towards Neurokinin NK2 receptor on isolated rabbit urinary bladder (RUB)				Bioorg Med Chem Lett 12: 693-6 (2002) BindingDB Entry DOI: 10.7270/Q22N53FR
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM11877 (N-Hydroxy-4-{[4-(phenoxyphenyl]sulfonyl}-1- (2-pro...) Show SMILES ONC(=O)C1(CCN(CC#C)CC1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C21H22N2O5S/c1-2-14-23-15-12-21(13-16-23,20(24)22-25)29(26,27)19-10-8-18(9-11-19)28-17-6-4-3-5-7-17/h1,3-11,25H,12-16H2,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50549891 (CHEMBL4790083) Show SMILES O=C(CCS(=O)(=O)c1cccc2ncsc12)N1CC2CCC(C1)N2c1ccc(cn1)C#N |TLB:1:16:23:19.20| Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]NMS from human recombinant muscarinic receptor M1 expressed in CHO-K1 cell membranes assessed as inhibition constant incubated fo...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00626 BindingDB Entry DOI: 10.7270/Q2445R41
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM11870 (4-{[4-(4-Chlorophenoxy)phenyl]sulfonyl}-N-hydroxy ...) Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C18H18ClNO6S/c19-13-1-3-14(4-2-13)26-15-5-7-16(8-6-15)27(23,24)18(17(21)20-22)9-11-25-12-10-18/h1-8,22H,9-12H2,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM11884 (N-Hydroxy-4-{[4-(phenylthio)phenyl]sulfonyl}-1-(vi...) Show SMILES ONC(=O)C1(CCN(CC=C)CC1)S(=O)(=O)c1ccc(Sc2ccccc2)cc1 Show InChI InChI=1S/C21H24N2O4S2/c1-2-14-23-15-12-21(13-16-23,20(24)22-25)29(26,27)19-10-8-18(9-11-19)28-17-6-4-3-5-7-17/h2-11,25H,1,12-16H2,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50401333 (CHEMBL1230584) Show SMILES COc1c(C)cnc(Cn2cc(C#CCC(C)(C)O)c3c(Cl)nc(N)nc23)c1C Show InChI InChI=1S/C21H24ClN5O2/c1-12-9-24-15(13(2)17(12)29-5)11-27-10-14(7-6-8-21(3,4)28)16-18(22)25-20(23)26-19(16)27/h9-10,28H,8,11H2,1-5H3,(H2,23,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Binding affinity at recombinant Hsp90alpha incubated for 16 hrs by fluorescence polarization competition assay				J Med Chem 55: 7786-95 (2012) Article DOI: 10.1021/jm300810x BindingDB Entry DOI: 10.7270/Q2V125Z3
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM11871 (1-tert-Butyl 4-[(Hydroxyamino)carbonyl]-4-[(4-phen...) Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C23H28N2O7S/c1-22(2,3)32-21(27)25-15-13-23(14-16-25,20(26)24-28)33(29,30)19-11-9-18(10-12-19)31-17-7-5-4-6-8-17/h4-12,28H,13-16H2,1-3H3,(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM11864 (beta-sulfone 7a | tert-Butyl 4-[(Hydroxyamino)carb...) Show SMILES CC(C)(C)OC(=O)N1CCC(CS(=O)(=O)c2ccc(Oc3ccccc3)cc2)(CC1)C(=O)NO Show InChI InChI=1S/C24H30N2O7S/c1-23(2,3)33-22(28)26-15-13-24(14-16-26,21(27)25-29)17-34(30,31)20-11-9-19(10-12-20)32-18-7-5-4-6-8-18/h4-12,29H,13-17H2,1-3H3,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM11864 (beta-sulfone 7a | tert-Butyl 4-[(Hydroxyamino)carb...) Show SMILES CC(C)(C)OC(=O)N1CCC(CS(=O)(=O)c2ccc(Oc3ccccc3)cc2)(CC1)C(=O)NO Show InChI InChI=1S/C24H30N2O7S/c1-23(2,3)33-22(28)26-15-13-24(14-16-26,21(27)25-29)17-34(30,31)20-11-9-19(10-12-20)32-18-7-5-4-6-8-18/h4-12,29H,13-17H2,1-3H3,(H,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM14722 (1-N-[5-Sulfamoyl-1,3,4-thiadiazol-2-yl-(aminosulfo...) Show SMILES Cc1cc(cc(C)[n+]1-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O)-c1ccccc1 Show InChI InChI=1S/C21H20N5O4S3/c1-14-12-17(16-6-4-3-5-7-16)13-15(2)26(14)18-8-10-19(11-9-18)33(29,30)25-20-23-24-21(31-20)32(22,27)28/h3-13H,1-2H3,(H,23,25)(H2,22,27,28)/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Canadian Institutes of Health Research					Assay Description Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...				J Med Chem 47: 2337-47 (2004) Article DOI: 10.1021/jm031079w BindingDB Entry DOI: 10.7270/Q2DV1H4B
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM11866 (N-Hydroxy-1-(3-methoxybenzyl)-4-{[(4-phenoxyphenyl...) Show SMILES COc1cccc(CN2CCC(CS(=O)(=O)c3ccc(Oc4ccccc4)cc3)(CC2)C(=O)NO)c1 Show InChI InChI=1S/C27H30N2O6S/c1-34-24-9-5-6-21(18-24)19-29-16-14-27(15-17-29,26(30)28-31)20-36(32,33)25-12-10-23(11-13-25)35-22-7-3-2-4-8-22/h2-13,18,31H,14-17,19-20H2,1H3,(H,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM11875 (1-Cyclopropyl-N-hydroxy-4-{[4-(phenoxyphenyl]-sulf...) Show SMILES ONC(=O)C1(CCN(CC1)C1CC1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C21H24N2O5S/c24-20(22-25)21(12-14-23(15-13-21)16-6-7-16)29(26,27)19-10-8-18(9-11-19)28-17-4-2-1-3-5-17/h1-5,8-11,16,25H,6-7,12-15H2,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM11883 (1-Cyclopropyl-N-hydroxy-4-{[4-(phenylthio)phenyl]-...) Show SMILES ONC(=O)C1(CCN(CC1)C1CC1)S(=O)(=O)c1ccc(Sc2ccccc2)cc1 Show InChI InChI=1S/C21H24N2O4S2/c24-20(22-25)21(12-14-23(15-13-21)16-6-7-16)29(26,27)19-10-8-18(9-11-19)28-17-4-2-1-3-5-17/h1-5,8-11,16,25H,6-7,12-15H2,(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM14723 (1-N-[5-Sulfamoyl-1,3,4-thiadiazol-2-yl-(aminosulfo...) Show SMILES CCc1cc(cc(CC)[n+]1-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O)-c1ccccc1 Show InChI InChI=1S/C23H24N5O4S3/c1-3-18-14-17(16-8-6-5-7-9-16)15-19(4-2)28(18)20-10-12-21(13-11-20)35(31,32)27-22-25-26-23(33-22)34(24,29)30/h5-15H,3-4H2,1-2H3,(H,25,27)(H2,24,29,30)/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Canadian Institutes of Health Research					Assay Description Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...				J Med Chem 47: 2337-47 (2004) Article DOI: 10.1021/jm031079w BindingDB Entry DOI: 10.7270/Q2DV1H4B
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM11877 (N-Hydroxy-4-{[4-(phenoxyphenyl]sulfonyl}-1- (2-pro...) Show SMILES ONC(=O)C1(CCN(CC#C)CC1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C21H22N2O5S/c1-2-14-23-15-12-21(13-16-23,20(24)22-25)29(26,27)19-10-8-18(9-11-19)28-17-6-4-3-5-7-17/h1,3-11,25H,12-16H2,(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM11872 (1-N-Hydroxy-4-[(4-phenoxyphenyl)sulfonyl]piperidin...) Show SMILES ONC(=O)C1(CCNCC1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C18H20N2O5S/c21-17(20-22)18(10-12-19-13-11-18)26(23,24)16-8-6-15(7-9-16)25-14-4-2-1-3-5-14/h1-9,19,22H,10-13H2,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM11868 (CHEMBL256157 | N-Hydroxy-4-{[(4-phenoxyphenyl)sulf...) Show SMILES ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCN(CC#C)CC1 Show InChI InChI=1S/C22H24N2O5S/c1-2-14-24-15-12-22(13-16-24,21(25)23-26)17-30(27,28)20-10-8-19(9-11-20)29-18-6-4-3-5-7-18/h1,3-11,26H,12-17H2,(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM11889 (N-Hydroxy-2-methyl-2-[(4-phenoxyphenyl)sulfonyl]-p...) Show SMILES CC(C)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C16H17NO5S/c1-16(2,15(18)17-19)23(20,21)14-10-8-13(9-11-14)22-12-6-4-3-5-7-12/h3-11,19H,1-2H3,(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM14718 (1-N-[5-Sulfamoyl-1,3,4-thiadiazol-2-yl-(aminosulfo...) Show SMILES Cc1cc(C)[n+](c(C)c1)-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C16H18N5O4S3/c1-10-8-11(2)21(12(3)9-10)13-4-6-14(7-5-13)28(24,25)20-15-18-19-16(26-15)27(17,22)23/h4-9H,1-3H3,(H,18,20)(H2,17,22,23)/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Canadian Institutes of Health Research					Assay Description Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...				J Med Chem 47: 2337-47 (2004) Article DOI: 10.1021/jm031079w BindingDB Entry DOI: 10.7270/Q2DV1H4B
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM11873 (N-Hydroxy-1-methyl-4-{[4-(phenoxyphenyl]sulfonyl}-...) Show SMILES CN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C19H22N2O5S/c1-21-13-11-19(12-14-21,18(22)20-23)27(24,25)17-9-7-16(8-10-17)26-15-5-3-2-4-6-15/h2-10,23H,11-14H2,1H3,(H,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM11875 (1-Cyclopropyl-N-hydroxy-4-{[4-(phenoxyphenyl]-sulf...) Show SMILES ONC(=O)C1(CCN(CC1)C1CC1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C21H24N2O5S/c24-20(22-25)21(12-14-23(15-13-21)16-6-7-16)29(26,27)19-10-8-18(9-11-19)28-17-4-2-1-3-5-17/h1-5,8-11,16,25H,6-7,12-15H2,(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM11871 (1-tert-Butyl 4-[(Hydroxyamino)carbonyl]-4-[(4-phen...) Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C23H28N2O7S/c1-22(2,3)32-21(27)25-15-13-23(14-16-25,20(26)24-28)33(29,30)19-11-9-18(10-12-19)31-17-7-5-4-6-8-17/h4-12,28H,13-16H2,1-3H3,(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM11870 (4-{[4-(4-Chlorophenoxy)phenyl]sulfonyl}-N-hydroxy ...) Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C18H18ClNO6S/c19-13-1-3-14(4-2-13)26-15-5-7-16(8-6-15)27(23,24)18(17(21)20-22)9-11-25-12-10-18/h1-8,22H,9-12H2,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM11875 (1-Cyclopropyl-N-hydroxy-4-{[4-(phenoxyphenyl]-sulf...) Show SMILES ONC(=O)C1(CCN(CC1)C1CC1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C21H24N2O5S/c24-20(22-25)21(12-14-23(15-13-21)16-6-7-16)29(26,27)19-10-8-18(9-11-19)28-17-4-2-1-3-5-17/h1-5,8-11,16,25H,6-7,12-15H2,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM11874 (N-Hydroxy-1-(2-methoxyethyl)-4-{[4-(phenoxyphenyl]...) Show SMILES COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C21H26N2O6S/c1-28-16-15-23-13-11-21(12-14-23,20(24)22-25)30(26,27)19-9-7-18(8-10-19)29-17-5-3-2-4-6-17/h2-10,25H,11-16H2,1H3,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM14736 (1-N-[5-Sulfamoyl-1,3,4-thiadiazol-2-yl-(aminosulfo...) Show SMILES Cc1cc(C)[n+](c(C)c1C)-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C17H20N5O4S3/c1-10-9-11(2)22(13(4)12(10)3)14-5-7-15(8-6-14)29(25,26)21-16-19-20-17(27-16)28(18,23)24/h5-9H,1-4H3,(H,19,21)(H2,18,23,24)/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Canadian Institutes of Health Research					Assay Description Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...				J Med Chem 47: 2337-47 (2004) Article DOI: 10.1021/jm031079w BindingDB Entry DOI: 10.7270/Q2DV1H4B
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM11882 (N-Hydroxy-1-(2-methoxyethyl)-4-{[4-(phenylthio)-ph...) Show SMILES COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Sc2ccccc2)cc1 Show InChI InChI=1S/C21H26N2O5S2/c1-28-16-15-23-13-11-21(12-14-23,20(24)22-25)30(26,27)19-9-7-18(8-10-19)29-17-5-3-2-4-6-17/h2-10,25H,11-16H2,1H3,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM11879 (N-Hydroxy-1-(methylsulfonyl)-4-{[4-(phenoxyphenyl]...) Show SMILES CS(=O)(=O)N1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C19H22N2O7S2/c1-29(24,25)21-13-11-19(12-14-21,18(22)20-23)30(26,27)17-9-7-16(8-10-17)28-15-5-3-2-4-6-15/h2-10,23H,11-14H2,1H3,(H,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM11884 (N-Hydroxy-4-{[4-(phenylthio)phenyl]sulfonyl}-1-(vi...) Show SMILES ONC(=O)C1(CCN(CC=C)CC1)S(=O)(=O)c1ccc(Sc2ccccc2)cc1 Show InChI InChI=1S/C21H24N2O4S2/c1-2-14-23-15-12-21(13-16-23,20(24)22-25)29(26,27)19-10-8-18(9-11-19)28-17-6-4-3-5-7-17/h2-11,25H,1,12-16H2,(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM10860 (4-(aminomethyl)benzene-1-sulfonamide | CHEMBL419 |...) Show SMILES NCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kochi Medical School Curated by ChEMBL					Assay Description Inhibitory constant against catalytic domain of human carbonic anhydrase XII				Bioorg Med Chem Lett 15: 3828-33 (2005) Article DOI: 10.1016/j.bmcl.2005.06.055 BindingDB Entry DOI: 10.7270/Q2C82B2K
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM11867 (CHEMBL234350 | N-Hydroxy-4-{[(4-phenoxyphenyl)sulf...) Show SMILES ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCN(CCc2ccccc2)CC1 Show InChI InChI=1S/C27H30N2O5S/c30-26(28-31)27(16-19-29(20-17-27)18-15-22-7-3-1-4-8-22)21-35(32,33)25-13-11-24(12-14-25)34-23-9-5-2-6-10-23/h1-14,31H,15-21H2,(H,28,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM11885 (CHEMBL1082381 | N-Hydroxy-4-{[4-(phenylthio)phenyl...) Show SMILES ONC(=O)C1(CCN(CC#C)CC1)S(=O)(=O)c1ccc(Sc2ccccc2)cc1 Show InChI InChI=1S/C21H22N2O4S2/c1-2-14-23-15-12-21(13-16-23,20(24)22-25)29(26,27)19-10-8-18(9-11-19)28-17-6-4-3-5-7-17/h1,3-11,25H,12-16H2,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50369514 (CHEMBL605266) Show SMILES CNC(=O)C[C@H]1OC([C@@H](O)[C@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r| Show InChI InChI=1S/C19H20ClIN6O4/c1-22-12(28)6-11-14(29)15(30)18(31-11)27-8-24-13-16(25-19(20)26-17(13)27)23-7-9-3-2-4-10(21)5-9/h2-5,8,11,14-15,18,29-30H,6-7H2,1H3,(H,22,28)(H,23,25,26)/t11-,14+,15+,18?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Displacement of [125I]AB-MECA from human Adenosine A3 receptor expressed in HEK 293 cells				J Med Chem 42: 1393-400 (1999) Article DOI: 10.1021/jm981090+ BindingDB Entry DOI: 10.7270/Q2SB46DK
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM11872 (1-N-Hydroxy-4-[(4-phenoxyphenyl)sulfonyl]piperidin...) Show SMILES ONC(=O)C1(CCNCC1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C18H20N2O5S/c21-17(20-22)18(10-12-19-13-11-18)26(23,24)16-8-6-15(7-9-16)25-14-4-2-1-3-5-14/h1-9,19,22H,10-13H2,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitors were assayed against purified hMMP-1, hMMP-2, hMMP-3, hMMP-8, hMMP-9, and hMMP-13 using an enzyme assay based on cleavage of the quenched ...				J Med Chem 48: 6713-30 (2005) Article DOI: 10.1021/jm0500875 BindingDB Entry DOI: 10.7270/Q2N58JMZ
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM14719 (1-N-[5-Sulfamoyl-1,3,4-thiadiazol-2-yl-(aminosulfo...) Show SMILES CC(C)c1cc(C)cc(C)[n+]1-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C18H22N5O4S3/c1-11(2)16-10-12(3)9-13(4)23(16)14-5-7-15(8-6-14)30(26,27)22-17-20-21-18(28-17)29(19,24)25/h5-11H,1-4H3,(H,20,22)(H2,19,24,25)/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Canadian Institutes of Health Research					Assay Description Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...				J Med Chem 47: 2337-47 (2004) Article DOI: 10.1021/jm031079w BindingDB Entry DOI: 10.7270/Q2DV1H4B
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 3527 total )  |  Next  |  Last  >>

Jump to: