Compile Data Set for Download or QSAR

Found 122 hits with Last Name = 'rambabu' and Initial = 'g'   

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
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50094551 (3,5-Bis-(4-fluoro-phenyl)-4-aza-tricyclo[5.2.2.0*2...) Show SMILES Fc1ccc(cc1)-c1[nH]c(c2C3CCC(CC3)c12)-c1ccc(F)cc1 |(21.01,-36.41,;22.48,-35.94,;22.8,-34.43,;24.27,-33.96,;25.41,-35,;25.09,-36.5,;23.63,-36.98,;26.88,-34.53,;28.12,-35.45,;29.38,-34.55,;28.9,-33.08,;29.67,-31.77,;28.93,-30.43,;27.39,-30.42,;26.61,-31.74,;27.93,-30.96,;28.33,-32.53,;27.36,-33.07,;30.84,-35.03,;31.15,-36.54,;32.61,-37.02,;33.76,-36,;35.23,-36.48,;33.44,-34.48,;31.98,-34,)| Show InChI InChI=1S/C22H19F2N/c23-17-9-5-15(6-10-17)21-19-13-1-2-14(4-3-13)20(19)22(25-21)16-7-11-18(24)12-8-16/h5-14,25H,1-4H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.601	n/a	n/a	n/a	n/a	n/a	n/a
Dr HS Gour University Curated by ChEMBL					Assay Description Inhibition of mouse macrophage COX2				Eur J Med Chem 43: 1559-69 (2008) Article DOI: 10.1016/j.ejmech.2007.09.028 BindingDB Entry DOI: 10.7270/Q2M909WP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50094542 (1,3-Diphenyl-2,4,5,6-tetrahydro-cyclopenta[c]pyrro...) Show SMILES C1Cc2c(C1)c([nH]c2-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C19H17N/c1-3-8-14(9-4-1)18-16-12-7-13-17(16)19(20-18)15-10-5-2-6-11-15/h1-6,8-11,20H,7,12-13H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.701	n/a	n/a	n/a	n/a	n/a	n/a
Dr HS Gour University Curated by ChEMBL					Assay Description Inhibition of mouse macrophage COX2				Eur J Med Chem 43: 1559-69 (2008) Article DOI: 10.1016/j.ejmech.2007.09.028 BindingDB Entry DOI: 10.7270/Q2M909WP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50094539 (3,5-Bis-(4-fluoro-phenyl)-4-aza-tricyclo[5.2.1.0*2...) Show SMILES Fc1ccc(cc1)-c1[nH]c(c2C3CCC(C3)c12)-c1ccc(F)cc1 Show InChI InChI=1S/C21H17F2N/c22-16-7-3-12(4-8-16)20-18-14-1-2-15(11-14)19(18)21(24-20)13-5-9-17(23)10-6-13/h3-10,14-15,24H,1-2,11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Dr HS Gour University Curated by ChEMBL					Assay Description Inhibition of mouse macrophage COX2				Eur J Med Chem 43: 1559-69 (2008) Article DOI: 10.1016/j.ejmech.2007.09.028 BindingDB Entry DOI: 10.7270/Q2M909WP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50094540 (1,3-diphenyl-4,5,6,7-tetrahydro-2H-isoindole | CHE...) Show SMILES C1CCc2c(C1)c([nH]c2-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C20H19N/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20(21-19)16-11-5-2-6-12-16/h1-6,9-12,21H,7-8,13-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Dr HS Gour University Curated by ChEMBL					Assay Description Inhibition of mouse macrophage COX2				Eur J Med Chem 43: 1559-69 (2008) Article DOI: 10.1016/j.ejmech.2007.09.028 BindingDB Entry DOI: 10.7270/Q2M909WP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50094546 (3,5-Diphenyl-4-aza-tricyclo[5.2.2.0*2,6*]undeca-2,...) Show SMILES C1CC2CCC1c1c([nH]c(c21)-c1ccccc1)-c1ccccc1 |(14.74,-30.53,;13.2,-30.52,;12.42,-31.84,;13.75,-31.06,;14.15,-32.63,;15.49,-31.87,;14.71,-33.19,;15.19,-34.65,;13.94,-35.55,;12.69,-34.64,;13.18,-33.17,;11.23,-35.11,;10.08,-34.06,;8.61,-34.53,;8.28,-36.04,;9.44,-37.08,;10.9,-36.61,;16.65,-35.13,;16.96,-36.64,;18.43,-37.13,;19.58,-36.1,;19.26,-34.58,;17.8,-34.11,)| Show InChI InChI=1S/C22H21N/c1-3-7-17(8-4-1)21-19-15-11-13-16(14-12-15)20(19)22(23-21)18-9-5-2-6-10-18/h1-10,15-16,23H,11-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Dr HS Gour University Curated by ChEMBL					Assay Description Inhibition of mouse macrophage COX2				Eur J Med Chem 43: 1559-69 (2008) Article DOI: 10.1016/j.ejmech.2007.09.028 BindingDB Entry DOI: 10.7270/Q2M909WP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50094534 (1,3-Bis-(4-fluoro-phenyl)-4,5,6,7-tetrahydro-2H-is...) Show SMILES Fc1ccc(cc1)-c1[nH]c(c2CCCCc12)-c1ccc(F)cc1 Show InChI InChI=1S/C20H17F2N/c21-15-9-5-13(6-10-15)19-17-3-1-2-4-18(17)20(23-19)14-7-11-16(22)12-8-14/h5-12,23H,1-4H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Dr HS Gour University Curated by ChEMBL					Assay Description Inhibition of mouse macrophage COX2				Eur J Med Chem 43: 1559-69 (2008) Article DOI: 10.1016/j.ejmech.2007.09.028 BindingDB Entry DOI: 10.7270/Q2M909WP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50094532 (1,3-Diphenyl-4,5,6,7-tetrahydro-isoindol-2-ylamine...) Show SMILES Nn1c(c2CCCCc2c1-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C20H20N2/c21-22-19(15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14,21H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Dr HS Gour University Curated by ChEMBL					Assay Description Inhibition of mouse macrophage COX2				Eur J Med Chem 43: 1559-69 (2008) Article DOI: 10.1016/j.ejmech.2007.09.028 BindingDB Entry DOI: 10.7270/Q2M909WP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50094558 (3,5-Diphenyl-4-aza-tricyclo[5.2.1.0*2,6*]deca-2,5-...) Show SMILES C1CC2CC1c1c([nH]c(c21)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C21H19N/c1-3-7-14(8-4-1)20-18-16-11-12-17(13-16)19(18)21(22-20)15-9-5-2-6-10-15/h1-10,16-17,22H,11-13H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Dr HS Gour University Curated by ChEMBL					Assay Description Inhibition of mouse macrophage COX2				Eur J Med Chem 43: 1559-69 (2008) Article DOI: 10.1016/j.ejmech.2007.09.028 BindingDB Entry DOI: 10.7270/Q2M909WP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50094548 (1,3-Bis-(4-fluoro-phenyl)-2,4,5,6-tetrahydro-cyclo...) Show SMILES Fc1ccc(cc1)-c1[nH]c(c2CCCc12)-c1ccc(F)cc1 Show InChI InChI=1S/C19H15F2N/c20-14-8-4-12(5-9-14)18-16-2-1-3-17(16)19(22-18)13-6-10-15(21)11-7-13/h4-11,22H,1-3H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Dr HS Gour University Curated by ChEMBL					Assay Description Inhibition of mouse macrophage COX2				Eur J Med Chem 43: 1559-69 (2008) Article DOI: 10.1016/j.ejmech.2007.09.028 BindingDB Entry DOI: 10.7270/Q2M909WP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50094528 (5,6-Dimethyl-1,3-diphenyl-4,5,6,7-tetrahydro-2H-is...) Show SMILES CC1Cc2c(CC1C)c([nH]c2-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C22H23N/c1-15-13-19-20(14-16(15)2)22(18-11-7-4-8-12-18)23-21(19)17-9-5-3-6-10-17/h3-12,15-16,23H,13-14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Dr HS Gour University Curated by ChEMBL					Assay Description Inhibition of mouse macrophage COX2				Eur J Med Chem 43: 1559-69 (2008) Article DOI: 10.1016/j.ejmech.2007.09.028 BindingDB Entry DOI: 10.7270/Q2M909WP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50094535 (1,3-diphenyl-4,7-dihydro-2H-isoindole | CHEMBL1408...) Show SMILES C1C=CCc2c1c([nH]c2-c1ccccc1)-c1ccccc1 |c:1| Show InChI InChI=1S/C20H17N/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20(21-19)16-11-5-2-6-12-16/h1-12,21H,13-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Dr HS Gour University Curated by ChEMBL					Assay Description Inhibition of mouse macrophage COX2				Eur J Med Chem 43: 1559-69 (2008) Article DOI: 10.1016/j.ejmech.2007.09.028 BindingDB Entry DOI: 10.7270/Q2M909WP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50094561 (3,5-Bis-(4-fluoro-phenyl)-4-aza-tricyclo[5.2.1.0*2...) Show SMILES Fc1ccc(cc1)-c1[nH]c(c2C3CC(C=C3)c12)-c1ccc(F)cc1 |c:15| Show InChI InChI=1S/C21H15F2N/c22-16-7-3-12(4-8-16)20-18-14-1-2-15(11-14)19(18)21(24-20)13-5-9-17(23)10-6-13/h1-10,14-15,24H,11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.51	n/a	n/a	n/a	n/a	n/a	n/a
Dr HS Gour University Curated by ChEMBL					Assay Description Inhibition of mouse macrophage COX2				Eur J Med Chem 43: 1559-69 (2008) Article DOI: 10.1016/j.ejmech.2007.09.028 BindingDB Entry DOI: 10.7270/Q2M909WP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50094541 (1,3-Bis-(4-chloro-phenyl)-4,5,6,7-tetrahydro-2H-is...) Show SMILES Clc1ccc(cc1)-c1[nH]c(c2CCCCc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C20H17Cl2N/c21-15-9-5-13(6-10-15)19-17-3-1-2-4-18(17)20(23-19)14-7-11-16(22)12-8-14/h5-12,23H,1-4H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Dr HS Gour University Curated by ChEMBL					Assay Description Inhibition of mouse macrophage COX2				Eur J Med Chem 43: 1559-69 (2008) Article DOI: 10.1016/j.ejmech.2007.09.028 BindingDB Entry DOI: 10.7270/Q2M909WP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ZAP-70 (Homo sapiens (Human))	BDBM50300401 (2-(5-bromo-2-(2,3-dihydro-1H-inden-4-ylamino)pyrim...) Show SMILES CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cccc3CCCc23)ncc1Br Show InChI InChI=1S/C20H20BrN5O2S/c1-22-29(27,28)18-11-3-2-9-17(18)24-19-15(21)12-23-20(26-19)25-16-10-5-7-13-6-4-8-14(13)16/h2-3,5,7,9-12,22H,4,6,8H2,1H3,(H2,23,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of human GST-fused ZAP-70 expressed in Sf9 cells				Eur J Med Chem 44: 4793-800 (2009) Article DOI: 10.1016/j.ejmech.2009.07.018 BindingDB Entry DOI: 10.7270/Q25X290Z
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ZAP-70 (Homo sapiens (Human))	BDBM50300382 (4-(4-(5-chloro-4-(2-(propylsulfonyl)phenylamino)py...) Show SMILES CCCS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCN(CC2)C(=O)NC)ncc1Cl Show InChI InChI=1S/C26H32ClN7O4S/c1-4-15-39(36,37)23-8-6-5-7-21(23)30-24-19(27)17-29-25(32-24)31-20-10-9-18(16-22(20)38-3)33-11-13-34(14-12-33)26(35)28-2/h5-10,16-17H,4,11-15H2,1-3H3,(H,28,35)(H2,29,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of human GST-fused ZAP-70 expressed in Sf9 cells				Eur J Med Chem 44: 4793-800 (2009) Article DOI: 10.1016/j.ejmech.2009.07.018 BindingDB Entry DOI: 10.7270/Q25X290Z
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50098287 (3-Benzyloxy-2-(4'-methoxy-biphenyl-4-sulfonylamino...) Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC([C@H](OCc1ccccc1)C#Cc1ccccc1)C(O)=O Show InChI InChI=1S/C31H27NO6S/c1-37-27-17-13-25(14-18-27)26-15-19-28(20-16-26)39(35,36)32-30(31(33)34)29(21-12-23-8-4-2-5-9-23)38-22-24-10-6-3-7-11-24/h2-11,13-20,29-30,32H,22H2,1H3,(H,33,34)/t29-,30?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	14.1	n/a	n/a	n/a	n/a	n/a	n/a
gvk bioSciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human matrix metalloprotease-13				Bioorg Med Chem Lett 12: 2689-93 (2002) BindingDB Entry DOI: 10.7270/Q2C24XK1
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50094555 (5,6-Dimethyl-1,3-diphenyl-4,7-dihydro-2H-isoindole...) Show SMILES CC1=C(C)Cc2c(C1)c([nH]c2-c1ccccc1)-c1ccccc1 |c:1| Show InChI InChI=1S/C22H21N/c1-15-13-19-20(14-16(15)2)22(18-11-7-4-8-12-18)23-21(19)17-9-5-3-6-10-17/h3-12,23H,13-14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14.5	n/a	n/a	n/a	n/a	n/a	n/a
Dr HS Gour University Curated by ChEMBL					Assay Description Inhibition of mouse macrophage COX2				Eur J Med Chem 43: 1559-69 (2008) Article DOI: 10.1016/j.ejmech.2007.09.028 BindingDB Entry DOI: 10.7270/Q2M909WP
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50098275 (2-(4'-Methylsulfanyl-biphenyl-4-sulfonylamino)-5-p...) Show SMILES CSc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(CC#Cc1ccccc1)C(O)=O Show InChI InChI=1S/C24H21NO4S2/c1-30-21-14-10-19(11-15-21)20-12-16-22(17-13-20)31(28,29)25-23(24(26)27)9-5-8-18-6-3-2-4-7-18/h2-4,6-7,10-17,23,25H,9H2,1H3,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	15.8	n/a	n/a	n/a	n/a	n/a	n/a
gvk bioSciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human matrix metalloprotease-13				Bioorg Med Chem Lett 12: 2689-93 (2002) BindingDB Entry DOI: 10.7270/Q2C24XK1
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50094563 (1,3-Di-p-tolyl-4,5,6,7-tetrahydro-2H-isoindole | 1...) Show SMILES Cc1ccc(cc1)-c1[nH]c(c2CCCCc12)-c1ccc(C)cc1 Show InChI InChI=1S/C22H23N/c1-15-7-11-17(12-8-15)21-19-5-3-4-6-20(19)22(23-21)18-13-9-16(2)10-14-18/h7-14,23H,3-6H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16.7	n/a	n/a	n/a	n/a	n/a	n/a
Dr HS Gour University Curated by ChEMBL					Assay Description Inhibition of mouse macrophage COX2				Eur J Med Chem 43: 1559-69 (2008) Article DOI: 10.1016/j.ejmech.2007.09.028 BindingDB Entry DOI: 10.7270/Q2M909WP
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50098263 (2-(4'-Methoxy-biphenyl-4-sulfonylamino)-5-phenyl-p...) Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(CC#Cc1ccccc1)C(O)=O Show InChI InChI=1S/C24H21NO5S/c1-30-21-14-10-19(11-15-21)20-12-16-22(17-13-20)31(28,29)25-23(24(26)27)9-5-8-18-6-3-2-4-7-18/h2-4,6-7,10-17,23,25H,9H2,1H3,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	20.9	n/a	n/a	n/a	n/a	n/a	n/a
gvk bioSciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human matrix metalloprotease-13				Bioorg Med Chem Lett 12: 2689-93 (2002) BindingDB Entry DOI: 10.7270/Q2C24XK1
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50094549 (1,3-Bis-(4-methoxy-phenyl)-4,5,6,7-tetrahydro-2H-i...) Show SMILES COc1ccc(cc1)-c1[nH]c(c2CCCCc12)-c1ccc(OC)cc1 Show InChI InChI=1S/C22H23NO2/c1-24-17-11-7-15(8-12-17)21-19-5-3-4-6-20(19)22(23-21)16-9-13-18(25-2)14-10-16/h7-14,23H,3-6H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	21.3	n/a	n/a	n/a	n/a	n/a	n/a
Dr HS Gour University Curated by ChEMBL					Assay Description Inhibition of mouse macrophage COX2				Eur J Med Chem 43: 1559-69 (2008) Article DOI: 10.1016/j.ejmech.2007.09.028 BindingDB Entry DOI: 10.7270/Q2M909WP
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50098289 (2-(4'-Methoxy-biphenyl-4-sulfonylamino)-6-phenyl-h...) Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(CC#CCc1ccccc1)C(O)=O Show InChI InChI=1S/C25H23NO5S/c1-31-22-15-11-20(12-16-22)21-13-17-23(18-14-21)32(29,30)26-24(25(27)28)10-6-5-9-19-7-3-2-4-8-19/h2-4,7-8,11-18,24,26H,9-10H2,1H3,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	21.9	n/a	n/a	n/a	n/a	n/a	n/a
gvk bioSciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human matrix metalloprotease-13				Bioorg Med Chem Lett 12: 2689-93 (2002) BindingDB Entry DOI: 10.7270/Q2C24XK1
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50098279 (2-(4'-Methoxy-biphenyl-4-sulfonylamino)-5-(3-morph...) Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(CC#Cc1cccc(c1)N1CCOCC1)C(O)=O Show InChI InChI=1S/C28H28N2O6S/c1-35-25-12-8-22(9-13-25)23-10-14-26(15-11-23)37(33,34)29-27(28(31)32)7-3-5-21-4-2-6-24(20-21)30-16-18-36-19-17-30/h2,4,6,8-15,20,27,29H,7,16-19H2,1H3,(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	24.0	n/a	n/a	n/a	n/a	n/a	n/a
gvk bioSciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human matrix metalloprotease-13				Bioorg Med Chem Lett 12: 2689-93 (2002) BindingDB Entry DOI: 10.7270/Q2C24XK1
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50098280 (2-[5-(4-Methoxy-phenyl)-thiophene-2-sulfonylamino]...) Show SMILES COc1ccc(cc1)-c1ccc(s1)S(=O)(=O)NC(CC#Cc1ccccc1)C(O)=O Show InChI InChI=1S/C22H19NO5S2/c1-28-18-12-10-17(11-13-18)20-14-15-21(29-20)30(26,27)23-19(22(24)25)9-5-8-16-6-3-2-4-7-16/h2-4,6-7,10-15,19,23H,9H2,1H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	33.1	n/a	n/a	n/a	n/a	n/a	n/a
gvk bioSciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human matrix metalloprotease-13				Bioorg Med Chem Lett 12: 2689-93 (2002) BindingDB Entry DOI: 10.7270/Q2C24XK1
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50098295 (3-Methoxy-2-(4'-methylsulfanyl-biphenyl-4-sulfonyl...) Show SMILES CO[C@H](C#Cc1ccccc1)C(NS(=O)(=O)c1ccc(cc1)-c1ccc(SC)cc1)C(O)=O Show InChI InChI=1S/C25H23NO5S2/c1-31-23(17-8-18-6-4-3-5-7-18)24(25(27)28)26-33(29,30)22-15-11-20(12-16-22)19-9-13-21(32-2)14-10-19/h3-7,9-16,23-24,26H,1-2H3,(H,27,28)/t23-,24?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	33.1	n/a	n/a	n/a	n/a	n/a	n/a
gvk bioSciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human matrix metalloprotease-13				Bioorg Med Chem Lett 12: 2689-93 (2002) BindingDB Entry DOI: 10.7270/Q2C24XK1
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50098261 (2-[4-(4-Methoxy-phenylethynyl)-benzenesulfonylamin...) Show SMILES COc1ccc(cc1)C#Cc1ccc(cc1)S(=O)(=O)NC(CC#Cc1ccccc1)C(O)=O Show InChI InChI=1S/C26H21NO5S/c1-32-23-16-12-21(13-17-23)10-11-22-14-18-24(19-15-22)33(30,31)27-25(26(28)29)9-5-8-20-6-3-2-4-7-20/h2-4,6-7,12-19,25,27H,9H2,1H3,(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	34.7	n/a	n/a	n/a	n/a	n/a	n/a
gvk bioSciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human matrix metalloprotease-13				Bioorg Med Chem Lett 12: 2689-93 (2002) BindingDB Entry DOI: 10.7270/Q2C24XK1
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50094550 (3,5-Diphenyl-4-aza-tricyclo[5.2.2.0*2,6*]undeca-2,...) Show SMILES C1CC2C=CC1c1c([nH]c(c21)-c1ccccc1)-c1ccccc1 |c:3| Show InChI InChI=1S/C22H19N/c1-3-7-17(8-4-1)21-19-15-11-13-16(14-12-15)20(19)22(23-21)18-9-5-2-6-10-18/h1-11,13,15-16,23H,12,14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	35.6	n/a	n/a	n/a	n/a	n/a	n/a
Dr HS Gour University Curated by ChEMBL					Assay Description Inhibition of mouse macrophage COX2				Eur J Med Chem 43: 1559-69 (2008) Article DOI: 10.1016/j.ejmech.2007.09.028 BindingDB Entry DOI: 10.7270/Q2M909WP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ZAP-70 (Homo sapiens (Human))	BDBM50300383 (4-(4-(5-chloro-4-(2-(propylsulfonyl)phenylamino)py...) Show SMILES CCCS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCN(CC2)C(=O)N(C)C)ncc1Cl Show InChI InChI=1S/C27H34ClN7O4S/c1-5-16-40(37,38)24-9-7-6-8-22(24)30-25-20(28)18-29-26(32-25)31-21-11-10-19(17-23(21)39-4)34-12-14-35(15-13-34)27(36)33(2)3/h6-11,17-18H,5,12-16H2,1-4H3,(H2,29,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of human GST-fused ZAP-70 expressed in Sf9 cells				Eur J Med Chem 44: 4793-800 (2009) Article DOI: 10.1016/j.ejmech.2009.07.018 BindingDB Entry DOI: 10.7270/Q25X290Z
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50094537 (1-(4-(1H-imidazol-1-yl)phenyl)-3-(4-fluorophenyl)-...) Show SMILES Fc1ccc(cc1)-c1[nH]c(c2CCCCc12)-c1ccc(cc1)-n1ccnc1 Show InChI InChI=1S/C23H20FN3/c24-18-9-5-16(6-10-18)22-20-3-1-2-4-21(20)23(26-22)17-7-11-19(12-8-17)27-14-13-25-15-27/h5-15,26H,1-4H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42.1	n/a	n/a	n/a	n/a	n/a	n/a
Dr HS Gour University Curated by ChEMBL					Assay Description Inhibition of mouse macrophage COX2				Eur J Med Chem 43: 1559-69 (2008) Article DOI: 10.1016/j.ejmech.2007.09.028 BindingDB Entry DOI: 10.7270/Q2M909WP
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50098256 (2-[4'-(2-Methoxy-ethoxy)-biphenyl-4-sulfonylamino]...) Show SMILES COCCOc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(CC#Cc1ccccc1)C(O)=O Show InChI InChI=1S/C26H25NO6S/c1-32-18-19-33-23-14-10-21(11-15-23)22-12-16-24(17-13-22)34(30,31)27-25(26(28)29)9-5-8-20-6-3-2-4-7-20/h2-4,6-7,10-17,25,27H,9,18-19H2,1H3,(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	49.0	n/a	n/a	n/a	n/a	n/a	n/a
gvk bioSciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human matrix metalloprotease-13				Bioorg Med Chem Lett 12: 2689-93 (2002) BindingDB Entry DOI: 10.7270/Q2C24XK1
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ZAP-70 (Homo sapiens (Human))	BDBM50300384 (2-(5-chloro-2-(4-(3-(dimethylamino)-2,2-dimethylpr...) Show SMILES COc1cc(OCC(C)(C)CN(C)C)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)NC(C)C)n1 Show InChI InChI=1S/C27H37ClN6O4S/c1-18(2)33-39(35,36)24-11-9-8-10-22(24)30-25-20(28)15-29-26(32-25)31-21-13-12-19(14-23(21)37-7)38-17-27(3,4)16-34(5)6/h8-15,18,33H,16-17H2,1-7H3,(H2,29,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of human GST-fused ZAP-70 expressed in Sf9 cells				Eur J Med Chem 44: 4793-800 (2009) Article DOI: 10.1016/j.ejmech.2009.07.018 BindingDB Entry DOI: 10.7270/Q25X290Z
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50098292 (5-Phenyl-2-([1,1';4',1'']terphenyl-4-sulfonylamino...) Show SMILES OC(=O)C(CC#Cc1ccccc1)NS(=O)(=O)c1ccc(cc1)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C29H23NO4S/c31-29(32)28(13-7-10-22-8-3-1-4-9-22)30-35(33,34)27-20-18-26(19-21-27)25-16-14-24(15-17-25)23-11-5-2-6-12-23/h1-6,8-9,11-12,14-21,28,30H,13H2,(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	58.9	n/a	n/a	n/a	n/a	n/a	n/a
gvk bioSciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human matrix metalloprotease-13				Bioorg Med Chem Lett 12: 2689-93 (2002) BindingDB Entry DOI: 10.7270/Q2C24XK1
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50297422 (1-(3-(2,6-dihydroxyphenyl)-5-m-tolyl-4,5-dihydro-1...) Show SMILES CC(=O)N1N=C(CC1c1cccc(C)c1)c1c(O)cccc1O |c:4| Show InChI InChI=1S/C18H18N2O3/c1-11-5-3-6-13(9-11)15-10-14(19-20(15)12(2)21)18-16(22)7-4-8-17(18)23/h3-9,15,22-23H,10H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of MAOB				Eur J Med Chem 44: 3584-90 (2009) Article DOI: 10.1016/j.ejmech.2009.02.031 BindingDB Entry DOI: 10.7270/Q2Z60P4F
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ZAP-70 (Homo sapiens (Human))	BDBM50300385 (2-(5-bromo-2-(3-(dimethylamino)-2-methylphenylamin...) Show SMILES CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cccc(N(C)C)c2C)ncc1Br Show InChI InChI=1S/C20H23BrN6O2S/c1-13-15(9-7-10-17(13)27(3)4)25-20-23-12-14(21)19(26-20)24-16-8-5-6-11-18(16)30(28,29)22-2/h5-12,22H,1-4H3,(H2,23,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of human GST-fused ZAP-70 expressed in Sf9 cells				Eur J Med Chem 44: 4793-800 (2009) Article DOI: 10.1016/j.ejmech.2009.07.018 BindingDB Entry DOI: 10.7270/Q25X290Z
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50098294 (6-Methoxy-2-(4'-methoxy-biphenyl-4-sulfonylamino)-...) Show SMILES COCC#CCC(NS(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O Show InChI InChI=1S/C20H21NO6S/c1-26-14-4-3-5-19(20(22)23)21-28(24,25)18-12-8-16(9-13-18)15-6-10-17(27-2)11-7-15/h6-13,19,21H,5,14H2,1-2H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	75.9	n/a	n/a	n/a	n/a	n/a	n/a
gvk bioSciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human matrix metalloprotease-13				Bioorg Med Chem Lett 12: 2689-93 (2002) BindingDB Entry DOI: 10.7270/Q2C24XK1
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM19187 ((2S)-2-[({4-[(3-fluorophenyl)methoxy]phenyl}methyl...) Show SMILES [H][C@@](C)(NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |r| Show InChI InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of MAOB				Eur J Med Chem 44: 3584-90 (2009) Article DOI: 10.1016/j.ejmech.2009.02.031 BindingDB Entry DOI: 10.7270/Q2Z60P4F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase ZAP-70 (Homo sapiens (Human))	BDBM50300386 (2-(5-bromo-2-(2-methoxy-4-(2-methyl-1H-imidazol-1-...) Show SMILES CNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)-n2ccnc2C)ncc1Br Show InChI InChI=1S/C22H22BrN7O3S/c1-14-25-10-11-30(14)15-8-9-17(19(12-15)33-3)28-22-26-13-16(23)21(29-22)27-18-6-4-5-7-20(18)34(31,32)24-2/h4-13,24H,1-3H3,(H2,26,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of human GST-fused ZAP-70 expressed in Sf9 cells				Eur J Med Chem 44: 4793-800 (2009) Article DOI: 10.1016/j.ejmech.2009.07.018 BindingDB Entry DOI: 10.7270/Q25X290Z
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50098286 (3-Methoxy-2-(4'-methoxy-biphenyl-4-sulfonylamino)-...) Show SMILES CO[C@H](C#Cc1ccccc1)C(NS(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O Show InChI InChI=1S/C25H23NO6S/c1-31-21-13-9-19(10-14-21)20-11-15-22(16-12-20)33(29,30)26-24(25(27)28)23(32-2)17-8-18-6-4-3-5-7-18/h3-7,9-16,23-24,26H,1-2H3,(H,27,28)/t23-,24?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	81.3	n/a	n/a	n/a	n/a	n/a	n/a
gvk bioSciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human matrix metalloprotease-13				Bioorg Med Chem Lett 12: 2689-93 (2002) BindingDB Entry DOI: 10.7270/Q2C24XK1
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50403951 (CHEMBL91254) Show SMILES COCCOCCC#CCC(NS(=O)(=O)c1ccc(cc1)-c1ccc(OC)cc1)C(O)=O Show InChI InChI=1S/C23H27NO7S/c1-29-16-17-31-15-5-3-4-6-22(23(25)26)24-32(27,28)21-13-9-19(10-14-21)18-7-11-20(30-2)12-8-18/h7-14,22,24H,5-6,15-17H2,1-2H3,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	87.1	n/a	n/a	n/a	n/a	n/a	n/a
gvk bioSciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human matrix metalloprotease-13				Bioorg Med Chem Lett 12: 2689-93 (2002) BindingDB Entry DOI: 10.7270/Q2C24XK1
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50403950 (CHEMBL91639) Show SMILES OC(=O)C(CC#Cc1ccccc1)NS(=O)(=O)c1ccc(cc1)C#Cc1ccccc1 Show InChI InChI=1S/C25H19NO4S/c27-25(28)24(13-7-12-20-8-3-1-4-9-20)26-31(29,30)23-18-16-22(17-19-23)15-14-21-10-5-2-6-11-21/h1-6,8-11,16-19,24,26H,13H2,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	89.1	n/a	n/a	n/a	n/a	n/a	n/a
gvk bioSciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human matrix metalloprotease-13				Bioorg Med Chem Lett 12: 2689-93 (2002) BindingDB Entry DOI: 10.7270/Q2C24XK1
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ZAP-70 (Homo sapiens (Human))	BDBM50300387 (1-(4-(5-chloro-4-(2-(propylsulfonyl)phenylamino)py...) Show SMILES CCCS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(cc2OC)N2CCC(CC2)C(N)=O)ncc1Cl Show InChI InChI=1S/C26H31ClN6O4S/c1-3-14-38(35,36)23-7-5-4-6-21(23)30-25-19(27)16-29-26(32-25)31-20-9-8-18(15-22(20)37-2)33-12-10-17(11-13-33)24(28)34/h4-9,15-17H,3,10-14H2,1-2H3,(H2,28,34)(H2,29,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of human GST-fused ZAP-70 expressed in Sf9 cells				Eur J Med Chem 44: 4793-800 (2009) Article DOI: 10.1016/j.ejmech.2009.07.018 BindingDB Entry DOI: 10.7270/Q25X290Z
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50094544 ((1,3-Diphenyl-4,5,6,7-tetrahydro-isoindol-2-yl)-ac...) Show SMILES OC(=O)Cn1c(c2CCCCc2c1-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C22H21NO2/c24-20(25)15-23-21(16-9-3-1-4-10-16)18-13-7-8-14-19(18)22(23)17-11-5-2-6-12-17/h1-6,9-12H,7-8,13-15H2,(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Dr HS Gour University Curated by ChEMBL					Assay Description Inhibition of mouse macrophage COX2				Eur J Med Chem 43: 1559-69 (2008) Article DOI: 10.1016/j.ejmech.2007.09.028 BindingDB Entry DOI: 10.7270/Q2M909WP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50094529 (2-Benzyl-4,6-diphenyl-1,2,3,5-tetrahydro-pyrrolo[3...) Show SMILES C(N1Cc2c(C1)c([nH]c2-c1ccccc1)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H22N2/c1-4-10-19(11-5-1)16-27-17-22-23(18-27)25(21-14-8-3-9-15-21)26-24(22)20-12-6-2-7-13-20/h1-15,26H,16-18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Dr HS Gour University Curated by ChEMBL					Assay Description Inhibition of mouse macrophage COX2				Eur J Med Chem 43: 1559-69 (2008) Article DOI: 10.1016/j.ejmech.2007.09.028 BindingDB Entry DOI: 10.7270/Q2M909WP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50094531 (1N-methyl-2-fluoro-5-[5-(4-fluoro-3-methylaminophe...) Show SMILES CNc1cc(ccc1F)-c1[nH]c(c2C3CCC(C3)c12)-c1ccc(F)c(NC)c1 Show InChI InChI=1S/C23H23F2N3/c1-26-18-10-14(5-7-16(18)24)22-20-12-3-4-13(9-12)21(20)23(28-22)15-6-8-17(25)19(11-15)27-2/h5-8,10-13,26-28H,3-4,9H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Dr HS Gour University Curated by ChEMBL					Assay Description Inhibition of mouse macrophage COX2				Eur J Med Chem 43: 1559-69 (2008) Article DOI: 10.1016/j.ejmech.2007.09.028 BindingDB Entry DOI: 10.7270/Q2M909WP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50094560 (CHEMBL337601 | N-{5-[5-(3-Acetylamino-4-fluoro-phe...) Show SMILES CC(=O)Nc1cc(ccc1F)-c1[nH]c(c2C3CCC(C3)c12)-c1ccc(F)c(NC(C)=O)c1 Show InChI InChI=1S/C25H23F2N3O2/c1-12(31)28-20-10-16(5-7-18(20)26)24-22-14-3-4-15(9-14)23(22)25(30-24)17-6-8-19(27)21(11-17)29-13(2)32/h5-8,10-11,14-15,30H,3-4,9H2,1-2H3,(H,28,31)(H,29,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Dr HS Gour University Curated by ChEMBL					Assay Description Inhibition of mouse macrophage COX2				Eur J Med Chem 43: 1559-69 (2008) Article DOI: 10.1016/j.ejmech.2007.09.028 BindingDB Entry DOI: 10.7270/Q2M909WP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50094553 (1,3-Bis-(4-imidazol-1-yl-phenyl)-4,5,6,7-tetrahydr...) Show SMILES C1CCc2c(C1)c([nH]c2-c1ccc(cc1)-n1ccnc1)-c1ccc(cc1)-n1ccnc1 Show InChI InChI=1S/C26H23N5/c1-2-4-24-23(3-1)25(19-5-9-21(10-6-19)30-15-13-27-17-30)29-26(24)20-7-11-22(12-8-20)31-16-14-28-18-31/h5-18,29H,1-4H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Dr HS Gour University Curated by ChEMBL					Assay Description Inhibition of mouse macrophage COX2				Eur J Med Chem 43: 1559-69 (2008) Article DOI: 10.1016/j.ejmech.2007.09.028 BindingDB Entry DOI: 10.7270/Q2M909WP
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50094538 (4,6-Diphenyl-1,2,3,5-tetrahydro-pyrrolo[3,4-c]pyrr...) Show SMILES C1NCc2c1c([nH]c2-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C18H16N2/c1-3-7-13(8-4-1)17-15-11-19-12-16(15)18(20-17)14-9-5-2-6-10-14/h1-10,19-20H,11-12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Dr HS Gour University Curated by ChEMBL					Assay Description Inhibition of mouse macrophage COX2				Eur J Med Chem 43: 1559-69 (2008) Article DOI: 10.1016/j.ejmech.2007.09.028 BindingDB Entry DOI: 10.7270/Q2M909WP
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50098259 (2-(4'-Methylsulfanyl-biphenyl-4-sulfonylamino)-6-m...) Show SMILES CSc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(CC#CCN1CCOCC1)C(O)=O Show InChI InChI=1S/C23H26N2O5S2/c1-31-20-9-5-18(6-10-20)19-7-11-21(12-8-19)32(28,29)24-22(23(26)27)4-2-3-13-25-14-16-30-17-15-25/h5-12,22,24H,4,13-17H2,1H3,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	102	n/a	n/a	n/a	n/a	n/a	n/a
gvk bioSciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human matrix metalloprotease-13				Bioorg Med Chem Lett 12: 2689-93 (2002) BindingDB Entry DOI: 10.7270/Q2C24XK1
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50098293 (2-(4-Benzo[1,3]dioxol-5-yl-benzenesulfonylamino)-5...) Show SMILES OC(=O)C(CC#Cc1ccccc1)NS(=O)(=O)c1ccc(cc1)-c1ccc2OCOc2c1 Show InChI InChI=1S/C24H19NO6S/c26-24(27)21(8-4-7-17-5-2-1-3-6-17)25-32(28,29)20-12-9-18(10-13-20)19-11-14-22-23(15-19)31-16-30-22/h1-3,5-6,9-15,21,25H,8,16H2,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	105	n/a	n/a	n/a	n/a	n/a	n/a
gvk bioSciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human matrix metalloprotease-13				Bioorg Med Chem Lett 12: 2689-93 (2002) BindingDB Entry DOI: 10.7270/Q2C24XK1
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50098274 (2-[4-(4-Methoxy-phenylethynyl)-benzenesulfonylamin...) Show SMILES COc1ccc(cc1)C#Cc1ccc(cc1)S(=O)(=O)NC(CC#CCN1CCOCC1)C(O)=O Show InChI InChI=1S/C25H26N2O6S/c1-32-22-11-7-20(8-12-22)5-6-21-9-13-23(14-10-21)34(30,31)26-24(25(28)29)4-2-3-15-27-16-18-33-19-17-27/h7-14,24,26H,4,15-19H2,1H3,(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	115	n/a	n/a	n/a	n/a	n/a	n/a
gvk bioSciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human matrix metalloprotease-13				Bioorg Med Chem Lett 12: 2689-93 (2002) BindingDB Entry DOI: 10.7270/Q2C24XK1
					More data for this Ligand-Target Pair

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