Compile Data Set for Download or QSAR

Found 58 hits of ic50 data for polymerid = 50000919   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Metalloproteinase inhibitor 3 (Rattus norvegicus)	BDBM50225361 (Etisulergine) Show SMILES [H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])C[C@@H](CN2C)NS(=O)(=O)N(CC)CC Show InChI InChI=1S/C19H28N4O2S/c1-4-23(5-2)26(24,25)21-14-10-16-15-7-6-8-17-19(15)13(11-20-17)9-18(16)22(3)12-14/h6-8,11,14,16,18,20-21H,4-5,9-10,12H2,1-3H3/t14-,16+,18+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity was evaluated against,[3H]spiperone rat frontal cortex (SPFC) serotonin receptor				J Med Chem 28: 1540-2 (1985) BindingDB Entry DOI: 10.7270/Q27M0B5C
					More data for this Ligand-Target Pair
Metalloproteinase inhibitor 3 (Rattus norvegicus)	BDBM50225361 (Etisulergine) Show SMILES [H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])C[C@@H](CN2C)NS(=O)(=O)N(CC)CC Show InChI InChI=1S/C19H28N4O2S/c1-4-23(5-2)26(24,25)21-14-10-16-15-7-6-8-17-19(15)13(11-20-17)9-18(16)22(3)12-14/h6-8,11,14,16,18,20-21H,4-5,9-10,12H2,1-3H3/t14-,16+,18+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against serotonin receptor from rat frontal cortex using [3H]spiperone as radioligand				J Med Chem 28: 367-75 (1985) BindingDB Entry DOI: 10.7270/Q22V2J98
					More data for this Ligand-Target Pair
Metalloproteinase inhibitor 3 (Rattus norvegicus)	BDBM50073906 (4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic ac...) Show SMILES CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(OC)cc1 |wU:6.11,14.14,3.2,wD:6.6,(-7.72,-12.8,;-7.72,-11.24,;-6.38,-10.5,;-6.38,-8.96,;-7.7,-8.19,;-7.7,-6.65,;-6.38,-5.88,;-7.72,-5.11,;-7.72,-3.57,;-5.06,-6.65,;-5.06,-8.19,;-5.06,-5.11,;-5.06,-3.57,;-3.71,-5.88,;-2.37,-5.11,;-2.37,-3.57,;-1.63,-2.22,;-2.41,-.91,;-1.67,.44,;-.13,.47,;.67,-.87,;-.09,-2.21,;-1.05,-5.88,;-1.05,-7.42,;.29,-5.11,;1.61,-5.88,;1.6,-7.42,;2.93,-8.19,;4.27,-7.42,;5.61,-8.21,;5.59,-9.75,;4.28,-5.88,;2.95,-5.1,)| Show InChI InChI=1S/C26H34N2O4S/c1-3-32-22-13-15-26(18-33,16-14-22)25(30)28-23(17-19-7-5-4-6-8-19)24(29)27-20-9-11-21(31-2)12-10-20/h4-12,22-23,33H,3,13-18H2,1-2H3,(H,27,29)(H,28,30)/t22-,23-,26+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Biomedical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloproteinase-3				Bioorg Med Chem Lett 9: 195-200 (1999) BindingDB Entry DOI: 10.7270/Q2RX9B7F
					More data for this Ligand-Target Pair
Metalloproteinase inhibitor 3 (Rattus norvegicus)	BDBM50073894 (4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic ac...) Show SMILES CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1cccs1)C(=O)Nc1ccccc1 |wU:6.11,14.14,3.2,wD:6.6,(-6.08,-11.45,;-6.08,-9.91,;-4.77,-9.15,;-4.77,-7.61,;-6.08,-6.84,;-6.08,-5.3,;-4.77,-4.53,;-6.08,-3.76,;-6.08,-2.22,;-3.42,-5.3,;-3.42,-6.84,;-3.42,-3.76,;-3.42,-2.22,;-2.07,-4.53,;-.76,-3.76,;-.76,-2.22,;-.37,-.74,;1.07,-.16,;.97,1.38,;-.53,1.76,;-1.34,.47,;.59,-4.53,;.59,-6.07,;1.9,-3.76,;3.25,-4.53,;4.6,-3.75,;5.91,-4.52,;5.91,-6.06,;4.6,-6.83,;3.25,-6.07,)| Show InChI InChI=1S/C23H30N2O3S2/c1-2-28-18-10-12-23(16-29,13-11-18)22(27)25-20(15-19-9-6-14-30-19)21(26)24-17-7-4-3-5-8-17/h3-9,14,18,20,29H,2,10-13,15-16H2,1H3,(H,24,26)(H,25,27)/t18-,20-,23+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Biomedical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloproteinase-3				Bioorg Med Chem Lett 9: 195-200 (1999) BindingDB Entry DOI: 10.7270/Q2RX9B7F
					More data for this Ligand-Target Pair
Metalloproteinase inhibitor 3 (Rattus norvegicus)	BDBM50073893 (4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic ac...) Show SMILES CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1cccnc1)C(=O)Nc1ccccc1 |wU:6.11,14.14,3.2,wD:6.6,(-10.16,-8.95,;-10.16,-7.41,;-8.82,-6.65,;-8.82,-5.11,;-10.16,-4.34,;-10.16,-2.8,;-8.82,-2.03,;-10.16,-1.26,;-10.16,.28,;-7.47,-2.8,;-7.47,-4.34,;-7.47,-1.26,;-7.47,.28,;-6.15,-2.03,;-4.81,-1.26,;-4.81,.28,;-4.06,1.63,;-4.84,2.94,;-4.11,4.29,;-2.57,4.32,;-1.76,2.98,;-2.52,1.64,;-3.49,-2.03,;-3.49,-3.57,;-2.15,-1.26,;-.82,-2.03,;-.8,-3.57,;.52,-4.33,;1.86,-3.56,;1.86,-2.02,;.52,-1.25,)| Show InChI InChI=1S/C24H31N3O3S/c1-2-30-20-10-12-24(17-31,13-11-20)23(29)27-21(15-18-7-6-14-25-16-18)22(28)26-19-8-4-3-5-9-19/h3-9,14,16,20-21,31H,2,10-13,15,17H2,1H3,(H,26,28)(H,27,29)/t20-,21-,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Biomedical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloproteinase-3				Bioorg Med Chem Lett 9: 195-200 (1999) BindingDB Entry DOI: 10.7270/Q2RX9B7F
					More data for this Ligand-Target Pair
Metalloproteinase inhibitor 3 (Rattus norvegicus)	BDBM50073885 (4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic ac...) Show SMILES CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccccc1 |wU:6.11,14.14,3.2,wD:6.6,(-4.06,-11.34,;-4.06,-9.8,;-2.73,-9.05,;-2.73,-7.51,;-4.04,-6.74,;-4.04,-5.2,;-2.73,-4.43,;-4.06,-3.66,;-4.06,-2.12,;-1.38,-5.2,;-1.38,-6.74,;-1.38,-3.66,;-1.38,-2.12,;-.05,-4.43,;1.28,-3.66,;1.28,-2.12,;2.03,-.77,;1.25,.55,;1.99,1.89,;3.53,1.92,;4.28,3.27,;4.33,.6,;3.57,-.75,;2.61,-4.43,;2.61,-5.97,;3.95,-3.66,;5.27,-4.43,;6.62,-3.64,;7.96,-4.41,;7.96,-5.95,;6.62,-6.72,;5.29,-5.97,)| Show InChI InChI=1S/C25H32N2O4S/c1-2-31-21-12-14-25(17-32,15-13-21)24(30)27-22(16-18-8-10-20(28)11-9-18)23(29)26-19-6-4-3-5-7-19/h3-11,21-22,28,32H,2,12-17H2,1H3,(H,26,29)(H,27,30)/t21-,22-,25+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Biomedical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloproteinase-3				Bioorg Med Chem Lett 9: 195-200 (1999) BindingDB Entry DOI: 10.7270/Q2RX9B7F
					More data for this Ligand-Target Pair
Metalloproteinase inhibitor 3 (Rattus norvegicus)	BDBM50073881 (4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic ac...) Show SMILES CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccc(OC)cc1)C(=O)Nc1ccccc1 |wU:6.11,14.14,3.2,wD:6.6,(-9.58,-8.05,;-9.58,-6.51,;-8.25,-5.75,;-8.25,-4.21,;-9.56,-3.44,;-9.56,-1.9,;-8.25,-1.13,;-9.58,-.36,;-9.58,1.18,;-6.9,-1.9,;-6.9,-3.44,;-6.9,-.36,;-6.9,1.18,;-5.57,-1.13,;-4.23,-.36,;-4.23,1.18,;-3.49,2.52,;-1.95,2.53,;-1.19,3.88,;-1.99,5.22,;-1.24,6.57,;.3,6.58,;-3.53,5.19,;-4.27,3.84,;-2.91,-1.13,;-2.91,-2.67,;-1.57,-.36,;-.25,-1.13,;-.22,-2.67,;1.1,-3.43,;2.44,-2.66,;2.44,-1.12,;1.1,-.35,)| Show InChI InChI=1S/C26H34N2O4S/c1-3-32-22-13-15-26(18-33,16-14-22)25(30)28-23(17-19-9-11-21(31-2)12-10-19)24(29)27-20-7-5-4-6-8-20/h4-12,22-23,33H,3,13-18H2,1-2H3,(H,27,29)(H,28,30)/t22-,23-,26+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Biomedical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloproteinase-3				Bioorg Med Chem Lett 9: 195-200 (1999) BindingDB Entry DOI: 10.7270/Q2RX9B7F
					More data for this Ligand-Target Pair
Metalloproteinase inhibitor 3 (Rattus norvegicus)	BDBM50073886 (4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic ac...) Show SMILES CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccnc1 |wU:6.11,14.14,3.2,wD:6.6,(-8.04,-11.59,;-8.04,-10.05,;-6.73,-9.3,;-6.73,-7.76,;-8.04,-6.99,;-8.04,-5.45,;-6.73,-4.68,;-8.04,-3.91,;-8.04,-2.37,;-5.38,-5.45,;-5.38,-6.99,;-5.38,-3.91,;-5.38,-2.37,;-4.03,-4.68,;-2.72,-3.91,;-2.72,-2.37,;-1.95,-1.03,;-2.75,.29,;-2.01,1.64,;-.47,1.67,;.33,.34,;-.41,-1.01,;-1.37,-4.68,;-1.37,-6.22,;-.05,-3.91,;1.29,-4.68,;2.64,-3.89,;3.96,-4.66,;3.96,-6.2,;2.64,-6.97,;1.29,-6.22,)| Show InChI InChI=1S/C24H31N3O3S/c1-2-30-20-10-12-24(17-31,13-11-20)23(29)27-21(15-18-7-4-3-5-8-18)22(28)26-19-9-6-14-25-16-19/h3-9,14,16,20-21,31H,2,10-13,15,17H2,1H3,(H,26,28)(H,27,29)/t20-,21-,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Biomedical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloproteinase-3				Bioorg Med Chem Lett 9: 195-200 (1999) BindingDB Entry DOI: 10.7270/Q2RX9B7F
					More data for this Ligand-Target Pair
Metalloproteinase inhibitor 3 (Rattus norvegicus)	BDBM50073883 (4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic ac...) Show SMILES CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 |wU:6.11,14.14,3.2,wD:6.6,(-2.44,-13.76,;-2.44,-12.22,;-1.11,-11.46,;-1.11,-9.92,;-2.43,-9.15,;-2.43,-7.61,;-1.11,-6.84,;-2.44,-6.07,;-2.44,-4.53,;.24,-7.61,;.24,-9.15,;.24,-6.07,;.24,-4.53,;1.57,-6.84,;2.9,-6.07,;2.9,-4.53,;3.66,-3.19,;5.2,-3.18,;5.95,-1.83,;5.14,-.49,;3.6,-.52,;2.87,-1.87,;4.23,-6.84,;4.23,-8.38,;5.56,-6.07,;6.9,-6.84,;6.88,-8.38,;8.21,-9.15,;9.54,-8.38,;9.56,-6.84,;8.22,-6.06,)| Show InChI InChI=1S/C25H32N2O3S/c1-2-30-21-13-15-25(18-31,16-14-21)24(29)27-22(17-19-9-5-3-6-10-19)23(28)26-20-11-7-4-8-12-20/h3-12,21-22,31H,2,13-18H2,1H3,(H,26,28)(H,27,29)/t21-,22-,25+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Biomedical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloproteinase-3				Bioorg Med Chem Lett 9: 195-200 (1999) BindingDB Entry DOI: 10.7270/Q2RX9B7F
					More data for this Ligand-Target Pair
Metalloproteinase inhibitor 3 (Rattus norvegicus)	BDBM50073900 (4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic ac...) Show SMILES CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1)N(C)C |wU:6.11,14.14,3.2,wD:6.6,(-5,-12.03,;-5,-10.49,;-3.68,-9.73,;-3.68,-8.19,;-4.99,-7.42,;-4.99,-5.88,;-3.68,-5.11,;-5,-4.34,;-5,-2.8,;-2.33,-5.88,;-2.33,-7.42,;-2.33,-4.34,;-2.33,-2.8,;-.99,-5.11,;.33,-4.34,;.33,-2.8,;1.09,-1.45,;2.63,-1.44,;3.38,-.07,;2.58,1.24,;1.04,1.21,;.3,-.14,;1.67,-5.11,;1.67,-6.65,;2.99,-4.34,;4.33,-5.11,;5.66,-4.33,;6.99,-5.11,;6.97,-6.65,;5.63,-7.42,;4.31,-6.65,;8.32,-7.44,;9.66,-6.67,;8.31,-8.98,)| Show InChI InChI=1S/C27H37N3O3S/c1-4-33-23-14-16-27(19-34,17-15-23)26(32)29-24(18-20-8-6-5-7-9-20)25(31)28-21-10-12-22(13-11-21)30(2)3/h5-13,23-24,34H,4,14-19H2,1-3H3,(H,28,31)(H,29,32)/t23-,24-,27+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Biomedical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloproteinase-3				Bioorg Med Chem Lett 9: 195-200 (1999) BindingDB Entry DOI: 10.7270/Q2RX9B7F
					More data for this Ligand-Target Pair
Metalloproteinase inhibitor 3 (Rattus norvegicus)	BDBM50073905 (4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic ac...) Show SMILES CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(F)cc1 |wU:6.11,14.14,3.2,wD:6.6,(-5.83,-12,;-5.83,-10.44,;-4.51,-9.7,;-4.51,-8.16,;-5.83,-7.39,;-5.83,-5.85,;-4.51,-5.08,;-5.83,-4.31,;-5.83,-2.77,;-3.16,-5.85,;-3.16,-7.39,;-3.16,-4.31,;-3.16,-2.77,;-1.82,-5.08,;-.5,-4.31,;-.5,-2.77,;.27,-1.42,;1.81,-1.41,;2.54,-.06,;1.74,1.27,;.2,1.24,;-.53,-.11,;.84,-5.08,;.84,-6.62,;2.16,-4.31,;3.51,-5.08,;3.47,-6.62,;4.82,-7.39,;6.14,-6.62,;7.48,-7.41,;6.17,-5.08,;4.82,-4.3,)| Show InChI InChI=1S/C25H31FN2O3S/c1-2-31-21-12-14-25(17-32,15-13-21)24(30)28-22(16-18-6-4-3-5-7-18)23(29)27-20-10-8-19(26)9-11-20/h3-11,21-22,32H,2,12-17H2,1H3,(H,27,29)(H,28,30)/t21-,22-,25+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Biomedical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloproteinase-3				Bioorg Med Chem Lett 9: 195-200 (1999) BindingDB Entry DOI: 10.7270/Q2RX9B7F
					More data for this Ligand-Target Pair
Metalloproteinase inhibitor 3 (Rattus norvegicus)	BDBM50073889 (4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic ac...) Show SMILES CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1 |wU:6.11,14.14,3.2,wD:6.6,(-7.03,-11.17,;-7.03,-9.63,;-5.7,-8.9,;-5.7,-7.36,;-7.01,-6.59,;-7.01,-5.05,;-5.7,-4.28,;-7.03,-3.51,;-7.03,-1.97,;-4.35,-5.05,;-4.35,-6.59,;-4.35,-3.51,;-4.35,-1.97,;-3.02,-4.28,;-1.69,-3.51,;-1.69,-1.97,;-.93,-.62,;.61,-.59,;1.36,.76,;.56,2.07,;-.98,2.04,;-1.72,.69,;-.35,-4.28,;-.35,-5.82,;.97,-3.51,;2.31,-4.28,;2.29,-5.82,;3.63,-6.59,;4.95,-5.82,;6.3,-6.59,;4.97,-4.28,;3.64,-3.48,)| Show InChI InChI=1S/C25H31ClN2O3S/c1-2-31-21-12-14-25(17-32,15-13-21)24(30)28-22(16-18-6-4-3-5-7-18)23(29)27-20-10-8-19(26)9-11-20/h3-11,21-22,32H,2,12-17H2,1H3,(H,27,29)(H,28,30)/t21-,22-,25+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	113	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Biomedical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloproteinase-3				Bioorg Med Chem Lett 9: 195-200 (1999) BindingDB Entry DOI: 10.7270/Q2RX9B7F
					More data for this Ligand-Target Pair
Metalloproteinase inhibitor 3 (Rattus norvegicus)	BDBM50073891 (4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic ac...) Show SMILES CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccccc1 |wU:6.11,14.14,3.2,wD:6.6,(-8.88,-8.69,;-8.88,-7.15,;-7.54,-6.4,;-7.54,-4.86,;-8.85,-4.09,;-8.85,-2.55,;-7.54,-1.78,;-8.88,-1.01,;-8.88,.53,;-6.19,-2.55,;-6.19,-4.09,;-6.19,-1.01,;-6.19,.53,;-4.87,-1.78,;-3.53,-1.01,;-3.53,.53,;-2.78,1.88,;-1.24,1.89,;-.48,3.24,;-1.28,4.58,;-.53,5.92,;-2.82,4.54,;-3.56,3.2,;-2.2,-1.78,;-2.2,-3.32,;-.87,-1.01,;.46,-1.78,;1.81,-.99,;3.14,-1.76,;3.14,-3.3,;1.81,-4.07,;.48,-3.32,)| Show InChI InChI=1S/C25H31FN2O3S/c1-2-31-21-12-14-25(17-32,15-13-21)24(30)28-22(16-18-8-10-19(26)11-9-18)23(29)27-20-6-4-3-5-7-20/h3-11,21-22,32H,2,12-17H2,1H3,(H,27,29)(H,28,30)/t21-,22-,25+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	134	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Biomedical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloproteinase-3				Bioorg Med Chem Lett 9: 195-200 (1999) BindingDB Entry DOI: 10.7270/Q2RX9B7F
					More data for this Ligand-Target Pair
Metalloproteinase inhibitor 3 (Rattus norvegicus)	BDBM50073888 (4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic ac...) Show SMILES CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccc(OCC)cc1)C(=O)Nc1ccccc1 |wU:6.11,14.14,3.2,wD:6.6,(-10.54,-12.72,;-10.54,-11.18,;-9.23,-10.43,;-9.23,-8.89,;-10.54,-8.12,;-10.54,-6.58,;-9.23,-5.81,;-10.54,-5.04,;-10.54,-3.5,;-7.88,-6.58,;-7.88,-8.12,;-7.88,-5.04,;-7.88,-3.5,;-6.53,-5.81,;-5.22,-5.04,;-5.22,-3.5,;-4.45,-2.15,;-2.91,-2.13,;-2.17,-.78,;-2.97,.55,;-2.2,1.89,;-.66,1.91,;.08,3.26,;-4.51,.51,;-5.25,-.83,;-3.87,-5.81,;-3.87,-7.35,;-2.56,-5.04,;-1.21,-5.81,;.14,-5.02,;1.45,-5.79,;1.45,-7.33,;.14,-8.1,;-1.21,-7.35,)| Show InChI InChI=1S/C27H36N2O4S/c1-3-32-22-12-10-20(11-13-22)18-24(25(30)28-21-8-6-5-7-9-21)29-26(31)27(19-34)16-14-23(15-17-27)33-4-2/h5-13,23-24,34H,3-4,14-19H2,1-2H3,(H,28,30)(H,29,31)/t23-,24-,27+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	139	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Biomedical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloproteinase-3				Bioorg Med Chem Lett 9: 195-200 (1999) BindingDB Entry DOI: 10.7270/Q2RX9B7F
					More data for this Ligand-Target Pair
Metalloproteinase inhibitor 3 (Rattus norvegicus)	BDBM50017543 ((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...) Show SMILES CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13 |r| Show InChI InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against Dihydrofolate reductase of rat liver				J Med Chem 28: 367-75 (1985) BindingDB Entry DOI: 10.7270/Q22V2J98
					More data for this Ligand-Target Pair
Metalloproteinase inhibitor 3 (Rattus norvegicus)	BDBM50073899 (4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic ac...) Show SMILES CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 |wU:6.11,14.14,3.2,wD:6.6,(-2.65,-6.45,;-2.65,-4.91,;-1.32,-4.15,;-1.32,-2.61,;-2.63,-1.84,;-2.63,-.3,;-1.32,.47,;-2.65,1.24,;-2.65,2.78,;.03,-.3,;.03,-1.84,;.03,1.24,;.03,2.78,;1.36,.47,;2.69,1.24,;2.69,2.78,;3.44,4.13,;4.98,4.14,;5.74,5.51,;4.94,6.82,;3.4,6.79,;2.66,5.44,;4.02,.47,;4.02,-1.07,;5.36,1.24,;6.68,.47,;8.02,1.25,;9.35,.47,;9.34,-1.07,;10.68,-1.86,;10.66,-3.4,;12,-4.17,;9.34,-4.15,;11.77,-2.31,;8,-1.84,;6.67,-1.07,)| Show InChI InChI=1S/C26H31F3N2O4S/c1-2-34-20-12-14-25(17-36,15-13-20)24(33)31-22(16-18-6-4-3-5-7-18)23(32)30-19-8-10-21(11-9-19)35-26(27,28)29/h3-11,20,22,36H,2,12-17H2,1H3,(H,30,32)(H,31,33)/t20-,22-,25+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	175	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Biomedical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloproteinase-3				Bioorg Med Chem Lett 9: 195-200 (1999) BindingDB Entry DOI: 10.7270/Q2RX9B7F
					More data for this Ligand-Target Pair
Metalloproteinase inhibitor 3 (Rattus norvegicus)	BDBM50073898 (1-Mercaptomethyl-4-propoxy-cyclohexanecarboxylic a...) Show SMILES CCCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC |wU:7.12,15.15,4.3,wD:7.7,(-9.2,-11.82,;-7.86,-11.05,;-7.86,-9.51,;-6.53,-8.76,;-6.53,-7.22,;-7.85,-6.45,;-7.85,-4.91,;-6.53,-4.14,;-7.86,-3.37,;-7.86,-1.83,;-5.19,-4.91,;-5.19,-6.45,;-5.19,-3.37,;-5.19,-1.83,;-3.85,-4.14,;-2.52,-3.37,;-2.52,-1.83,;-1.76,-.48,;-.22,-.46,;.52,.89,;-.28,2.21,;-1.82,2.18,;-2.56,.83,;-1.19,-4.14,;-1.19,-5.68,;.14,-3.37,;.14,-1.83,)| Show InChI InChI=1S/C21H32N2O3S/c1-3-13-26-17-9-11-21(15-27,12-10-17)20(25)23-18(19(24)22-2)14-16-7-5-4-6-8-16/h4-8,17-18,27H,3,9-15H2,1-2H3,(H,22,24)(H,23,25)/t17-,18-,21+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	187	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Biomedical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloproteinase-3				Bioorg Med Chem Lett 9: 195-200 (1999) BindingDB Entry DOI: 10.7270/Q2RX9B7F
					More data for this Ligand-Target Pair
Metalloproteinase inhibitor 3 (Rattus norvegicus)	BDBM50073895 (4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic ac...) Show SMILES CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 |wU:6.11,14.14,3.2,wD:6.6,(-2.81,-9.19,;-2.81,-7.65,;-1.5,-6.91,;-1.5,-5.37,;-2.81,-4.6,;-2.81,-3.06,;-1.5,-2.29,;-2.81,-1.52,;-2.81,.02,;-.15,-3.06,;-.15,-4.6,;-.15,-1.52,;-.15,.02,;1.2,-2.29,;2.51,-1.52,;2.51,.02,;3.28,1.37,;2.48,2.68,;3.22,4.03,;4.76,4.06,;5.56,2.75,;4.82,1.4,;3.86,-2.29,;3.86,-3.83,;5.18,-1.52,;6.52,-2.29,;6.52,-3.83,;5.18,-4.57,;5.18,-6.11,;6.52,-6.88,;7.84,-6.11,;7.84,-4.57,)| Show InChI InChI=1S/C26H34N2O3S/c1-2-31-22-13-15-26(19-32,16-14-22)25(30)28-23(17-20-9-5-3-6-10-20)24(29)27-18-21-11-7-4-8-12-21/h3-12,22-23,32H,2,13-19H2,1H3,(H,27,29)(H,28,30)/t22-,23-,26+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	207	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Biomedical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloproteinase-3				Bioorg Med Chem Lett 9: 195-200 (1999) BindingDB Entry DOI: 10.7270/Q2RX9B7F
					More data for this Ligand-Target Pair
Metalloproteinase inhibitor 3 (Rattus norvegicus)	BDBM50073887 (4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic ac...) Show SMILES CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)Nc1ccccc1 |wU:6.11,14.14,3.2,wD:6.6,(-5.19,-7.57,;-5.19,-6.03,;-3.85,-5.27,;-3.85,-3.73,;-5.17,-2.96,;-5.17,-1.42,;-3.85,-.65,;-5.19,.12,;-5.19,1.66,;-2.5,-1.42,;-2.5,-2.96,;-2.5,.12,;-2.5,1.66,;-1.18,-.65,;.16,.12,;.16,1.66,;.91,3,;2.45,3.02,;3.21,4.36,;2.41,5.7,;3.15,7.05,;.87,5.67,;.13,4.32,;1.49,-.65,;1.49,-2.19,;2.82,.12,;4.15,-.65,;5.5,.13,;6.83,-.64,;6.83,-2.18,;5.5,-2.95,;4.17,-2.19,)| Show InChI InChI=1S/C25H31ClN2O3S/c1-2-31-21-12-14-25(17-32,15-13-21)24(30)28-22(16-18-8-10-19(26)11-9-18)23(29)27-20-6-4-3-5-7-20/h3-11,21-22,32H,2,12-17H2,1H3,(H,27,29)(H,28,30)/t21-,22-,25+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	223	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Biomedical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloproteinase-3				Bioorg Med Chem Lett 9: 195-200 (1999) BindingDB Entry DOI: 10.7270/Q2RX9B7F
					More data for this Ligand-Target Pair
Metalloproteinase inhibitor 3 (Rattus norvegicus)	BDBM50017543 ((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...) Show SMILES CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13 |r| Show InChI InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	385	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against serotonin receptor from whole rat brain using [3H]5-HT as radioligand				J Med Chem 28: 367-75 (1985) BindingDB Entry DOI: 10.7270/Q22V2J98
					More data for this Ligand-Target Pair
Metalloproteinase inhibitor 3 (Rattus norvegicus)	BDBM50291447 ((S)-2-(2-Mercapto-acetylamino)-4-methyl-pentanoic ...) Show SMILES CNC(=O)[C@H](Cc1cscn1)NC(=O)[C@H](CC(C)C)NC(=O)CS Show InChI InChI=1S/C15H24N4O3S2/c1-9(2)4-11(18-13(20)6-23)15(22)19-12(14(21)16-3)5-10-7-24-8-17-10/h7-9,11-12,23H,4-6H2,1-3H3,(H,16,21)(H,18,20)(H,19,22)/t11-,12-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its inhibitory activity against Matrix metalloproteinase-3(MMP-3) in adjuvant arthritic rat model of rheumatoid arthritis				Bioorg Med Chem Lett 7: 897-902 (1997) Article DOI: 10.1016/S0960-894X(97)00125-X BindingDB Entry DOI: 10.7270/Q2PC32CH
					More data for this Ligand-Target Pair
Metalloproteinase inhibitor 3 (Rattus norvegicus)	BDBM50291445 ((S)-2-(2-Mercapto-acetylamino)-4-methyl-pentanoic ...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)CS Show InChI InChI=1S/C20H28N4O3S/c1-12(2)8-16(23-18(25)11-28)20(27)24-17(19(26)21-3)9-13-10-22-15-7-5-4-6-14(13)15/h4-7,10,12,16-17,22,28H,8-9,11H2,1-3H3,(H,21,26)(H,23,25)(H,24,27)/t16-,17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its inhibitory activity against Matrix metalloproteinase-3(MMP-3) in adjuvant arthritic rat model of rheumatoid arthritis				Bioorg Med Chem Lett 7: 897-902 (1997) Article DOI: 10.1016/S0960-894X(97)00125-X BindingDB Entry DOI: 10.7270/Q2PC32CH
					More data for this Ligand-Target Pair
Metalloproteinase inhibitor 3 (Rattus norvegicus)	BDBM50073902 (4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic ac...) Show SMILES CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccn1 |wU:6.11,14.14,3.2,wD:6.6,(-5.67,-8.22,;-5.67,-6.68,;-4.33,-5.95,;-4.33,-4.41,;-5.65,-3.64,;-5.65,-2.1,;-4.33,-1.33,;-5.67,-.56,;-5.67,.98,;-2.98,-2.1,;-2.98,-3.64,;-2.98,-.56,;-2.98,.98,;-1.66,-1.33,;-.32,-.56,;-.32,.98,;.43,2.33,;-.35,3.65,;.38,4.99,;1.92,5.03,;2.73,3.71,;1.97,2.36,;1.01,-1.33,;1.01,-2.87,;2.34,-.56,;3.67,-1.33,;5,-.56,;6.35,-1.33,;6.33,-2.87,;5,-3.64,;3.67,-2.87,)| Show InChI InChI=1S/C24H31N3O3S/c1-2-30-19-11-13-24(17-31,14-12-19)23(29)26-20(16-18-8-4-3-5-9-18)22(28)27-21-10-6-7-15-25-21/h3-10,15,19-20,31H,2,11-14,16-17H2,1H3,(H,26,29)(H,25,27,28)/t19-,20-,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	449	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Biomedical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloproteinase-3				Bioorg Med Chem Lett 9: 195-200 (1999) BindingDB Entry DOI: 10.7270/Q2RX9B7F
					More data for this Ligand-Target Pair
Metalloproteinase inhibitor 3 (Rattus norvegicus)	BDBM50073904 (4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic ac...) Show SMILES CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C)C |wU:6.11,14.14,3.2,wD:6.6,(-5.96,-14.57,;-5.96,-13.03,;-4.62,-12.27,;-4.62,-10.73,;-5.94,-9.96,;-5.94,-8.42,;-4.62,-7.65,;-5.96,-6.88,;-5.96,-5.34,;-3.27,-8.42,;-3.27,-9.96,;-3.27,-6.88,;-3.27,-5.34,;-1.95,-7.65,;-.61,-6.88,;-.61,-5.34,;.14,-3.99,;1.68,-3.98,;2.44,-2.63,;1.64,-1.29,;.1,-1.33,;-.64,-2.67,;.72,-7.65,;.72,-9.19,;2.05,-6.88,;3.38,-7.65,;3.38,-9.19,;4.72,-6.88,)| Show InChI InChI=1S/C22H34N2O3S/c1-4-27-18-10-12-22(15-28,13-11-18)21(26)24-19(20(25)23-16(2)3)14-17-8-6-5-7-9-17/h5-9,16,18-19,28H,4,10-15H2,1-3H3,(H,23,25)(H,24,26)/t18-,19-,22+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	568	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Biomedical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloproteinase-3				Bioorg Med Chem Lett 9: 195-200 (1999) BindingDB Entry DOI: 10.7270/Q2RX9B7F
					More data for this Ligand-Target Pair
Metalloproteinase inhibitor 3 (Rattus norvegicus)	BDBM50073882 (4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic ac...) Show SMILES CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1 |wU:6.11,14.14,3.2,wD:6.6,(-4.93,-12.8,;-4.93,-11.24,;-3.59,-10.5,;-3.59,-8.96,;-4.91,-8.19,;-4.91,-6.65,;-3.59,-5.88,;-4.93,-5.11,;-4.93,-3.57,;-2.25,-6.65,;-2.25,-8.19,;-2.25,-5.11,;-2.25,-3.57,;-.92,-5.88,;.42,-5.11,;.42,-3.57,;1.17,-2.22,;2.71,-2.21,;3.46,-.87,;2.66,.47,;1.12,.44,;.38,-.91,;1.74,-5.88,;1.74,-7.42,;3.08,-5.11,;4.41,-5.88,;5.74,-5.1,;7.07,-5.88,;7.06,-7.42,;5.72,-8.19,;4.4,-7.42,)| Show InChI InChI=1S/C25H38N2O3S/c1-2-30-21-13-15-25(18-31,16-14-21)24(29)27-22(17-19-9-5-3-6-10-19)23(28)26-20-11-7-4-8-12-20/h3,5-6,9-10,20-22,31H,2,4,7-8,11-18H2,1H3,(H,26,28)(H,27,29)/t21-,22-,25+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	617	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Biomedical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloproteinase-3				Bioorg Med Chem Lett 9: 195-200 (1999) BindingDB Entry DOI: 10.7270/Q2RX9B7F
					More data for this Ligand-Target Pair
Metalloproteinase inhibitor 3 (Rattus norvegicus)	BDBM50073892 (4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic ac...) Show SMILES CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC |wU:6.11,14.14,3.2,wD:6.6,(-5.92,-8.71,;-5.92,-7.17,;-4.61,-6.43,;-4.61,-4.89,;-5.92,-4.12,;-5.92,-2.58,;-4.61,-1.81,;-5.92,-1.04,;-5.92,.5,;-3.26,-2.58,;-3.26,-4.12,;-3.26,-1.04,;-3.26,.5,;-1.91,-1.81,;-.6,-1.04,;-.6,.5,;.17,1.85,;-.63,3.17,;.11,4.51,;1.65,4.54,;2.45,3.23,;1.71,1.88,;.75,-1.81,;.75,-3.35,;2.06,-1.04,;2.06,.5,)| Show InChI InChI=1S/C20H30N2O3S/c1-3-25-16-9-11-20(14-26,12-10-16)19(24)22-17(18(23)21-2)13-15-7-5-4-6-8-15/h4-8,16-17,26H,3,9-14H2,1-2H3,(H,21,23)(H,22,24)/t16-,17-,20+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Biomedical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloproteinase-3				Bioorg Med Chem Lett 9: 195-200 (1999) BindingDB Entry DOI: 10.7270/Q2RX9B7F
					More data for this Ligand-Target Pair
Metalloproteinase inhibitor 3 (Rattus norvegicus)	BDBM50291446 ((R)-2-(2-Mercapto-acetylamino)-N-((S)-1-methylcarb...) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSC)NC(=O)CS Show InChI InChI=1S/C16H23N3O3S2/c1-17-15(21)12(8-11-6-4-3-5-7-11)19-16(22)13(10-24-2)18-14(20)9-23/h3-7,12-13,23H,8-10H2,1-2H3,(H,17,21)(H,18,20)(H,19,22)/t12-,13-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its inhibitory activity against Matrix metalloproteinase-3 (MMP-3) in adjuvant arthritic rat model of rheumatoid arthritis				Bioorg Med Chem Lett 7: 897-902 (1997) Article DOI: 10.1016/S0960-894X(97)00125-X BindingDB Entry DOI: 10.7270/Q2PC32CH
					More data for this Ligand-Target Pair
Metalloproteinase inhibitor 3 (Rattus norvegicus)	BDBM50073890 (4-Ethoxy-1-mercaptomethyl-cyclohexanecarboxylic ac...) Show SMILES CCO[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 |wU:6.11,14.14,3.2,wD:6.6,(-4.81,-11.04,;-4.81,-9.5,;-3.49,-8.74,;-3.49,-7.2,;-4.8,-6.43,;-4.8,-4.89,;-3.49,-4.12,;-4.81,-3.35,;-4.81,-1.81,;-2.14,-4.89,;-2.14,-6.43,;-2.14,-3.35,;-2.14,-1.81,;-.8,-4.12,;.52,-3.35,;.52,-1.81,;1.28,-.46,;2.82,-.45,;3.57,.9,;2.77,2.23,;1.23,2.2,;.49,.86,;1.86,-4.12,;1.86,-5.66,;3.19,-3.35,;4.52,-4.12,;5.94,-3.48,;6.96,-4.62,;6.19,-5.97,;4.68,-5.65,)| Show InChI InChI=1S/C24H36N2O3S/c1-2-29-20-12-14-24(17-30,15-13-20)23(28)26-21(16-18-8-4-3-5-9-18)22(27)25-19-10-6-7-11-19/h3-5,8-9,19-21,30H,2,6-7,10-17H2,1H3,(H,25,27)(H,26,28)/t20-,21-,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	666	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Biomedical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloproteinase-3				Bioorg Med Chem Lett 9: 195-200 (1999) BindingDB Entry DOI: 10.7270/Q2RX9B7F
					More data for this Ligand-Target Pair
Metalloproteinase inhibitor 3 (Rattus norvegicus)	BDBM50225476 (CHEMBL330849) Show SMILES [H][C@]12C[C@H](CSC)CN(CCC)[C@]1([H])Cc1cccc(O)c1C2 Show InChI InChI=1S/C18H27NOS/c1-3-7-19-11-13(12-21-2)8-15-9-16-14(10-17(15)19)5-4-6-18(16)20/h4-6,13,15,17,20H,3,7-12H2,1-2H3/t13-,15+,17+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	720	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against Dihydrofolate reductase of rat liver				J Med Chem 28: 367-75 (1985) BindingDB Entry DOI: 10.7270/Q22V2J98
					More data for this Ligand-Target Pair
Metalloproteinase inhibitor 3 (Rattus norvegicus)	BDBM50291444 ((R)-N-[(S)-2-(1H-Indol-3-yl)-1-methylcarbamoyl-eth...) Show SMILES CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CSC)NC(=O)CS Show InChI InChI=1S/C18H24N4O3S2/c1-19-17(24)14(7-11-8-20-13-6-4-3-5-12(11)13)22-18(25)15(10-27-2)21-16(23)9-26/h3-6,8,14-15,20,26H,7,9-10H2,1-2H3,(H,19,24)(H,21,23)(H,22,25)/t14-,15-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its inhibitory activity against Matrix metalloproteinase-3(MMP-3) in adjuvant arthritic rat model of rheumatoid arthritis				Bioorg Med Chem Lett 7: 897-902 (1997) Article DOI: 10.1016/S0960-894X(97)00125-X BindingDB Entry DOI: 10.7270/Q2PC32CH
					More data for this Ligand-Target Pair
Metalloproteinase inhibitor 3 (Rattus norvegicus)	BDBM50073903 (1-Mercaptomethyl-4-methoxy-cyclohexanecarboxylic a...) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@]1(CS)CC[C@@H](CC1)OC |wU:15.15,4.12,20.24,wD:15.16,(3.19,-.33,;3.19,-1.87,;1.86,-2.64,;1.86,-4.18,;.52,-1.87,;.52,-.33,;1.28,1.02,;2.82,1.03,;3.57,2.37,;2.77,3.71,;1.23,3.68,;.49,2.33,;-.8,-2.64,;-2.14,-1.87,;-2.14,-.33,;-3.49,-2.64,;-4.81,-1.87,;-4.81,-.33,;-4.8,-3.41,;-4.8,-4.95,;-3.49,-5.72,;-2.14,-4.95,;-2.14,-3.41,;-3.49,-7.26,;-4.81,-8.02,)| Show InChI InChI=1S/C19H28N2O3S/c1-20-17(22)16(12-14-6-4-3-5-7-14)21-18(23)19(13-25)10-8-15(24-2)9-11-19/h3-7,15-16,25H,8-13H2,1-2H3,(H,20,22)(H,21,23)/t15-,16-,19+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	926	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Biomedical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloproteinase-3				Bioorg Med Chem Lett 9: 195-200 (1999) BindingDB Entry DOI: 10.7270/Q2RX9B7F
					More data for this Ligand-Target Pair
Metalloproteinase inhibitor 3 (Rattus norvegicus)	BDBM50225476 (CHEMBL330849) Show SMILES [H][C@]12C[C@H](CSC)CN(CCC)[C@]1([H])Cc1cccc(O)c1C2 Show InChI InChI=1S/C18H27NOS/c1-3-7-19-11-13(12-21-2)8-15-9-16-14(10-17(15)19)5-4-6-18(16)20/h4-6,13,15,17,20H,3,7-12H2,1-2H3/t13-,15+,17+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against serotonin receptor from whole rat brain using [3H]5-HT as radioligand				J Med Chem 28: 367-75 (1985) BindingDB Entry DOI: 10.7270/Q22V2J98
					More data for this Ligand-Target Pair
Metalloproteinase inhibitor 3 (Rattus norvegicus)	BDBM50225362 (Norprolac | QUINAGOLIDE) Show SMILES [H][C@]12C[C@@H](CN(CCC)[C@]1([H])Cc1cccc(O)c1C2)NS(=O)(=O)N(CC)CC Show InChI InChI=1S/C20H33N3O3S/c1-4-10-22-14-17(21-27(25,26)23(5-2)6-3)11-16-12-18-15(13-19(16)22)8-7-9-20(18)24/h7-9,16-17,19,21,24H,4-6,10-14H2,1-3H3/t16-,17+,19-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity was evaluated against,[3H]spiperone rat frontal cortex (SPFC) serotonin receptor				J Med Chem 28: 1540-2 (1985) BindingDB Entry DOI: 10.7270/Q27M0B5C
					More data for this Ligand-Target Pair
Metalloproteinase inhibitor 3 (Rattus norvegicus)	BDBM50225362 (Norprolac | QUINAGOLIDE) Show SMILES [H][C@]12C[C@@H](CN(CCC)[C@]1([H])Cc1cccc(O)c1C2)NS(=O)(=O)N(CC)CC Show InChI InChI=1S/C20H33N3O3S/c1-4-10-22-14-17(21-27(25,26)23(5-2)6-3)11-16-12-18-15(13-19(16)22)8-7-9-20(18)24/h7-9,16-17,19,21,24H,4-6,10-14H2,1-3H3/t16-,17+,19-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity was evaluated against,[3H]spiperone rat frontal cortex (SPFC) serotonin receptor				J Med Chem 28: 1540-2 (1985) BindingDB Entry DOI: 10.7270/Q27M0B5C
					More data for this Ligand-Target Pair
Metalloproteinase inhibitor 3 (Rattus norvegicus)	BDBM50290672 ((S)-2-(2-Mercapto-acetylamino)-4-methyl-pentanoic ...) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CS Show InChI InChI=1S/C18H27N3O3S/c1-12(2)9-14(20-16(22)11-25)18(24)21-15(17(23)19-3)10-13-7-5-4-6-8-13/h4-8,12,14-15,25H,9-11H2,1-3H3,(H,19,23)(H,20,22)(H,21,24)/t14-,15-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its inhibitory activity against Matrix metalloproteinase-3 (MMP-3) in adjuvant arthritic rat model of rheumatoid arthritis				Bioorg Med Chem Lett 7: 897-902 (1997) Article DOI: 10.1016/S0960-894X(97)00125-X BindingDB Entry DOI: 10.7270/Q2PC32CH
					More data for this Ligand-Target Pair
Metalloproteinase inhibitor 3 (Rattus norvegicus)	BDBM50225362 (Norprolac | QUINAGOLIDE) Show SMILES [H][C@]12C[C@@H](CN(CCC)[C@]1([H])Cc1cccc(O)c1C2)NS(=O)(=O)N(CC)CC Show InChI InChI=1S/C20H33N3O3S/c1-4-10-22-14-17(21-27(25,26)23(5-2)6-3)11-16-12-18-15(13-19(16)22)8-7-9-20(18)24/h7-9,16-17,19,21,24H,4-6,10-14H2,1-3H3/t16-,17+,19-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity was evaluated against,[3H]serotonin (5-HT) whole rat brain serotonin receptor				J Med Chem 28: 1540-2 (1985) BindingDB Entry DOI: 10.7270/Q27M0B5C
					More data for this Ligand-Target Pair
Metalloproteinase inhibitor 3 (Rattus norvegicus)	BDBM50225362 (Norprolac | QUINAGOLIDE) Show SMILES [H][C@]12C[C@@H](CN(CCC)[C@]1([H])Cc1cccc(O)c1C2)NS(=O)(=O)N(CC)CC Show InChI InChI=1S/C20H33N3O3S/c1-4-10-22-14-17(21-27(25,26)23(5-2)6-3)11-16-12-18-15(13-19(16)22)8-7-9-20(18)24/h7-9,16-17,19,21,24H,4-6,10-14H2,1-3H3/t16-,17+,19-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity was evaluated against,[3H]serotonin (5-HT) whole rat brain serotonin receptor				J Med Chem 28: 1540-2 (1985) BindingDB Entry DOI: 10.7270/Q27M0B5C
					More data for this Ligand-Target Pair
Metalloproteinase inhibitor 3 (Rattus norvegicus)	BDBM50073897 (1-Mercaptomethyl-4-trifluoromethyl-cyclohexanecarb...) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@]1(CS)CC[C@@H](CC1)C(F)(F)F |wU:15.15,20.24,4.12,wD:15.16,(1.67,-7.2,;1.67,-8.74,;.33,-9.51,;.33,-11.05,;-.99,-8.74,;-.99,-7.2,;-.25,-5.85,;1.29,-5.84,;2.05,-4.49,;1.25,-3.15,;-.29,-3.19,;-1.03,-4.53,;-2.33,-9.51,;-3.66,-8.74,;-3.66,-7.2,;-5,-9.51,;-6.34,-8.74,;-6.34,-7.2,;-6.32,-10.28,;-6.32,-11.82,;-5,-12.59,;-3.66,-11.82,;-3.66,-10.28,;-5,-14.13,;-6.34,-14.89,;-3.68,-14.9,;-6.48,-13.73,)| Show InChI InChI=1S/C19H25F3N2O2S/c1-23-16(25)15(11-13-5-3-2-4-6-13)24-17(26)18(12-27)9-7-14(8-10-18)19(20,21)22/h2-6,14-15,27H,7-12H2,1H3,(H,23,25)(H,24,26)/t14-,15-,18+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Biomedical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloproteinase-3				Bioorg Med Chem Lett 9: 195-200 (1999) BindingDB Entry DOI: 10.7270/Q2RX9B7F
					More data for this Ligand-Target Pair
Metalloproteinase inhibitor 3 (Rattus norvegicus)	BDBM50001955 ((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...) Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r| Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity was evaluated against,[3H]spiperone rat frontal cortex (SPFC) serotonin receptor				J Med Chem 28: 1540-2 (1985) BindingDB Entry DOI: 10.7270/Q27M0B5C
					More data for this Ligand-Target Pair
Metalloproteinase inhibitor 3 (Rattus norvegicus)	BDBM50001955 ((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...) Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r| Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against serotonin receptor from rat frontal cortex using [3H]spiperone as radioligand				J Med Chem 28: 367-75 (1985) BindingDB Entry DOI: 10.7270/Q22V2J98
					More data for this Ligand-Target Pair
Metalloproteinase inhibitor 3 (Rattus norvegicus)	BDBM50225362 (Norprolac | QUINAGOLIDE) Show SMILES [H][C@]12C[C@@H](CN(CCC)[C@]1([H])Cc1cccc(O)c1C2)NS(=O)(=O)N(CC)CC Show InChI InChI=1S/C20H33N3O3S/c1-4-10-22-14-17(21-27(25,26)23(5-2)6-3)11-16-12-18-15(13-19(16)22)8-7-9-20(18)24/h7-9,16-17,19,21,24H,4-6,10-14H2,1-3H3/t16-,17+,19-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against serotonin receptor from whole rat brain using [3H]5-HT as radioligand				J Med Chem 28: 367-75 (1985) BindingDB Entry DOI: 10.7270/Q22V2J98
					More data for this Ligand-Target Pair
Metalloproteinase inhibitor 3 (Rattus norvegicus)	BDBM50225361 (Etisulergine) Show SMILES [H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])C[C@@H](CN2C)NS(=O)(=O)N(CC)CC Show InChI InChI=1S/C19H28N4O2S/c1-4-23(5-2)26(24,25)21-14-10-16-15-7-6-8-17-19(15)13(11-20-17)9-18(16)22(3)12-14/h6-8,11,14,16,18,20-21H,4-5,9-10,12H2,1-3H3/t14-,16+,18+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity was evaluated against,[3H]serotonin (5-HT) whole rat brain serotonin receptor				J Med Chem 28: 1540-2 (1985) BindingDB Entry DOI: 10.7270/Q27M0B5C
					More data for this Ligand-Target Pair
Metalloproteinase inhibitor 3 (Rattus norvegicus)	BDBM50225361 (Etisulergine) Show SMILES [H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])C[C@@H](CN2C)NS(=O)(=O)N(CC)CC Show InChI InChI=1S/C19H28N4O2S/c1-4-23(5-2)26(24,25)21-14-10-16-15-7-6-8-17-19(15)13(11-20-17)9-18(16)22(3)12-14/h6-8,11,14,16,18,20-21H,4-5,9-10,12H2,1-3H3/t14-,16+,18+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against Dihydrofolate reductase of rat liver				J Med Chem 28: 367-75 (1985) BindingDB Entry DOI: 10.7270/Q22V2J98
					More data for this Ligand-Target Pair
Metalloproteinase inhibitor 3 (Rattus norvegicus)	BDBM50225362 (Norprolac | QUINAGOLIDE) Show SMILES [H][C@]12C[C@@H](CN(CCC)[C@]1([H])Cc1cccc(O)c1C2)NS(=O)(=O)N(CC)CC Show InChI InChI=1S/C20H33N3O3S/c1-4-10-22-14-17(21-27(25,26)23(5-2)6-3)11-16-12-18-15(13-19(16)22)8-7-9-20(18)24/h7-9,16-17,19,21,24H,4-6,10-14H2,1-3H3/t16-,17+,19-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against Dihydrofolate reductase of rat liver				J Med Chem 28: 367-75 (1985) BindingDB Entry DOI: 10.7270/Q22V2J98
					More data for this Ligand-Target Pair
Metalloproteinase inhibitor 3 (Rattus norvegicus)	BDBM50291443 ((R)-2-(2-Mercapto-acetylamino)-3-methanesulfinyl-N...) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS(C)=O)NC(=O)CS Show InChI InChI=1S/C16H23N3O4S2/c1-17-15(21)12(8-11-6-4-3-5-7-11)19-16(22)13(10-25(2)23)18-14(20)9-24/h3-7,12-13,24H,8-10H2,1-2H3,(H,17,21)(H,18,20)(H,19,22)/t12-,13-,25?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its inhibitory activity against Matrix metalloproteinase-3 (MMP-3) in adjuvant arthritic rat model of rheumatoid arthritis				Bioorg Med Chem Lett 7: 897-902 (1997) Article DOI: 10.1016/S0960-894X(97)00125-X BindingDB Entry DOI: 10.7270/Q2PC32CH
					More data for this Ligand-Target Pair
Metalloproteinase inhibitor 3 (Rattus norvegicus)	BDBM50073884 (1-Mercaptomethyl-cyclohexanecarboxylic acid ((S)-1...) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)C1(CS)CCCCC1 Show InChI InChI=1S/C18H26N2O2S/c1-19-16(21)15(12-14-8-4-2-5-9-14)20-17(22)18(13-23)10-6-3-7-11-18/h2,4-5,8-9,15,23H,3,6-7,10-13H2,1H3,(H,19,21)(H,20,22)/t15-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Biomedical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloproteinase-3				Bioorg Med Chem Lett 9: 195-200 (1999) BindingDB Entry DOI: 10.7270/Q2RX9B7F
					More data for this Ligand-Target Pair
Metalloproteinase inhibitor 3 (Rattus norvegicus)	BDBM50225362 (Norprolac | QUINAGOLIDE) Show SMILES [H][C@]12C[C@@H](CN(CCC)[C@]1([H])Cc1cccc(O)c1C2)NS(=O)(=O)N(CC)CC Show InChI InChI=1S/C20H33N3O3S/c1-4-10-22-14-17(21-27(25,26)23(5-2)6-3)11-16-12-18-15(13-19(16)22)8-7-9-20(18)24/h7-9,16-17,19,21,24H,4-6,10-14H2,1-3H3/t16-,17+,19-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity was evaluated against,[3H]serotonin (5-HT) whole rat brain serotonin receptor				J Med Chem 28: 1540-2 (1985) BindingDB Entry DOI: 10.7270/Q27M0B5C
					More data for this Ligand-Target Pair
Metalloproteinase inhibitor 3 (Rattus norvegicus)	BDBM50001955 ((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...) Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r| Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Noncompetitive Inhibitory activity against rat striatal synaptosomal DHPR enzyme				J Med Chem 28: 367-75 (1985) BindingDB Entry DOI: 10.7270/Q22V2J98
					More data for this Ligand-Target Pair
Metalloproteinase inhibitor 3 (Rattus norvegicus)	BDBM50073896 (1-Mercaptomethyl-4-propyl-cyclohexanecarboxylic ac...) Show SMILES CCC[C@H]1CC[C@](CS)(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC |wU:6.11,14.14,3.2,wD:6.6,(-1.76,-12.48,;-1.76,-10.92,;-.44,-10.18,;-.44,-8.64,;-1.75,-7.87,;-1.75,-6.33,;-.44,-5.56,;-1.76,-4.79,;-1.76,-3.25,;.91,-6.33,;.91,-7.87,;.91,-4.79,;.91,-3.25,;2.25,-5.56,;3.57,-4.79,;3.57,-3.25,;4.33,-1.9,;3.54,-.59,;4.28,.76,;5.82,.79,;6.62,-.55,;5.87,-1.89,;4.91,-5.56,;4.91,-7.1,;6.23,-4.79,;6.23,-3.25,)| Show InChI InChI=1S/C21H32N2O2S/c1-3-7-16-10-12-21(15-26,13-11-16)20(25)23-18(19(24)22-2)14-17-8-5-4-6-9-17/h4-6,8-9,16,18,26H,3,7,10-15H2,1-2H3,(H,22,24)(H,23,25)/t16-,18-,21+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Biomedical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloproteinase-3				Bioorg Med Chem Lett 9: 195-200 (1999) BindingDB Entry DOI: 10.7270/Q2RX9B7F
					More data for this Ligand-Target Pair
Metalloproteinase inhibitor 3 (Rattus norvegicus)	BDBM50073901 ((R)-1-Mercaptomethyl-3-methoxy-cyclohexanecarboxyl...) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@]1(CS)CCCC(C1)OC Show InChI InChI=1S/C19H28N2O3S/c1-20-17(22)16(11-14-7-4-3-5-8-14)21-18(23)19(13-25)10-6-9-15(12-19)24-2/h3-5,7-8,15-16,25H,6,9-13H2,1-2H3,(H,20,22)(H,21,23)/t15?,16-,19-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Biomedical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloproteinase-3				Bioorg Med Chem Lett 9: 195-200 (1999) BindingDB Entry DOI: 10.7270/Q2RX9B7F
					More data for this Ligand-Target Pair

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