Compile Data Set for Download or QSAR

Found 47 hits with Last Name = 'rao' and Initial = 'pv'   

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
Rho-associated protein kinase 2 [1-543,T431N] (Homo sapiens (Human))	BDBM25472 (CHEMBL519123 | N-[4-(1H-pyrazol-4-yl)phenyl]-2,3-d...) Show SMILES O=C(Nc1ccc(cc1)-c1cn[nH]c1)C1COc2ccccc2O1 Show InChI InChI=1S/C18H15N3O3/c22-18(17-11-23-15-3-1-2-4-16(15)24-17)21-14-7-5-12(6-8-14)13-9-19-20-10-13/h1-10,17H,11H2,(H,19,20)(H,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank 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	7.0	22
The Scripps Research Institute					Assay Description Assays were performed using the STK2 kinase system from Cisbio. Reaction mixture containing STK2 substrate, ATP and test compound was added to the we...				J Med Chem 51: 6642-5 (2008) Article DOI: 10.1021/jm800986w BindingDB Entry DOI: 10.7270/Q2JS9NRN
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 [1-543,T431N] (Homo sapiens (Human))	BDBM25474 (JMC516642 Compound 5 | N-{2-[2-(dimethylamino)etho...) Show SMILES CN(C)CCOc1cc(ccc1NC(=O)C1COc2ccccc2O1)-c1cn[nH]c1 Show InChI InChI=1S/C22H24N4O4/c1-26(2)9-10-28-20-11-15(16-12-23-24-13-16)7-8-17(20)25-22(27)21-14-29-18-5-3-4-6-19(18)30-21/h3-8,11-13,21H,9-10,14H2,1-2H3,(H,23,24)(H,25,27)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	7.0	22
The Scripps Research Institute					Assay Description Assays were performed using the STK2 kinase system from Cisbio. Reaction mixture containing STK2 substrate, ATP and test compound was added to the we...				J Med Chem 51: 6642-5 (2008) Article DOI: 10.1021/jm800986w BindingDB Entry DOI: 10.7270/Q2JS9NRN
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 [1-543,T431N] (Homo sapiens (Human))	BDBM25473 (N-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,3-dihydr...) Show SMILES COc1cc(ccc1NC(=O)C1COc2ccccc2O1)-c1cn[nH]c1 Show InChI InChI=1S/C19H17N3O4/c1-24-17-8-12(13-9-20-21-10-13)6-7-14(17)22-19(23)18-11-25-15-4-2-3-5-16(15)26-18/h2-10,18H,11H2,1H3,(H,20,21)(H,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	7.0	22
The Scripps Research Institute					Assay Description Assays were performed using the STK2 kinase system from Cisbio. Reaction mixture containing STK2 substrate, ATP and test compound was added to the we...				J Med Chem 51: 6642-5 (2008) Article DOI: 10.1021/jm800986w BindingDB Entry DOI: 10.7270/Q2JS9NRN
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 [1-543,T431N] (Homo sapiens (Human))	BDBM25470 (N-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]-2,3-dihydro-...) Show SMILES O=C(Nc1nc(cs1)-c1ccncc1)C1COc2ccccc2O1 Show InChI InChI=1S/C17H13N3O3S/c21-16(15-9-22-13-3-1-2-4-14(13)23-15)20-17-19-12(10-24-17)11-5-7-18-8-6-11/h1-8,10,15H,9H2,(H,19,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	7.0	22
The Scripps Research Institute					Assay Description Assays were performed using the STK2 kinase system from Cisbio. Reaction mixture containing STK2 substrate, ATP and test compound was added to the we...				J Med Chem 51: 6642-5 (2008) Article DOI: 10.1021/jm800986w BindingDB Entry DOI: 10.7270/Q2JS9NRN
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 [1-543,T431N] (Homo sapiens (Human))	BDBM25471 (N-[4-(pyridin-4-yl)phenyl]-2,3-dihydro-1,4-benzodi...) Show SMILES O=C(Nc1ccc(cc1)-c1ccncc1)C1COc2ccccc2O1 Show InChI InChI=1S/C20H16N2O3/c23-20(19-13-24-17-3-1-2-4-18(17)25-19)22-16-7-5-14(6-8-16)15-9-11-21-12-10-15/h1-12,19H,13H2,(H,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	7.0	22
The Scripps Research Institute					Assay Description Assays were performed using the STK2 kinase system from Cisbio. Reaction mixture containing STK2 substrate, ATP and test compound was added to the we...				J Med Chem 51: 6642-5 (2008) Article DOI: 10.1021/jm800986w BindingDB Entry DOI: 10.7270/Q2JS9NRN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM22369 (4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofu...) Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1 |t:11| Show InChI InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Vittal Mallya Scientific Research Foundation Curated by ChEMBL					Assay Description Inhibitory activity against Prostaglandin G/H synthase 2 in human whole blood assay as LPS induced PGE-2 generation.				Bioorg Med Chem Lett 13: 657-60 (2003) BindingDB Entry DOI: 10.7270/Q2QF8S8R
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP-dependent protein kinase catalytic subunit alpha (Homo sapiens (Human))	BDBM25472 (CHEMBL519123 | N-[4-(1H-pyrazol-4-yl)phenyl]-2,3-d...) Show SMILES O=C(Nc1ccc(cc1)-c1cn[nH]c1)C1COc2ccccc2O1 Show InChI InChI=1S/C18H15N3O3/c22-18(17-11-23-15-3-1-2-4-16(15)24-17)21-14-7-5-12(6-8-14)13-9-19-20-10-13/h1-10,17H,11H2,(H,19,20)(H,21,22)	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	186	n/a	n/a	n/a	n/a	7.3	22
The Scripps Research Institute					Assay Description Reaction mixture of kemptide, ATP, and test compound was added to the wells using a BioRAPTR FRD Workstation (Aurora Discovery). Reaction was started...				J Med Chem 51: 6642-5 (2008) Article DOI: 10.1021/jm800986w BindingDB Entry DOI: 10.7270/Q2JS9NRN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha (Homo sapiens (Human))	BDBM25473 (N-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,3-dihydr...) Show SMILES COc1cc(ccc1NC(=O)C1COc2ccccc2O1)-c1cn[nH]c1 Show InChI InChI=1S/C19H17N3O4/c1-24-17-8-12(13-9-20-21-10-13)6-7-14(17)22-19(23)18-11-25-15-4-2-3-5-16(15)26-18/h2-10,18H,11H2,1H3,(H,20,21)(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	367	n/a	n/a	n/a	n/a	7.3	22
The Scripps Research Institute					Assay Description The mixture of a S6-peptide, ATP, and test compound was added to the wells using a BioRAPTR FRD Workstation (Aurora Discovery). Reaction was started ...				J Med Chem 51: 6642-5 (2008) Article DOI: 10.1021/jm800986w BindingDB Entry DOI: 10.7270/Q2JS9NRN
					More data for this Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha (Homo sapiens (Human))	BDBM25470 (N-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]-2,3-dihydro-...) Show SMILES O=C(Nc1nc(cs1)-c1ccncc1)C1COc2ccccc2O1 Show InChI InChI=1S/C17H13N3O3S/c21-16(15-9-22-13-3-1-2-4-14(13)23-15)20-17-19-12(10-24-17)11-5-7-18-8-6-11/h1-8,10,15H,9H2,(H,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	637	n/a	n/a	n/a	n/a	7.3	22
The Scripps Research Institute					Assay Description Reaction mixture of kemptide, ATP, and test compound was added to the wells using a BioRAPTR FRD Workstation (Aurora Discovery). Reaction was started...				J Med Chem 51: 6642-5 (2008) Article DOI: 10.1021/jm800986w BindingDB Entry DOI: 10.7270/Q2JS9NRN
					More data for this Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha (Homo sapiens (Human))	BDBM25471 (N-[4-(pyridin-4-yl)phenyl]-2,3-dihydro-1,4-benzodi...) Show SMILES O=C(Nc1ccc(cc1)-c1ccncc1)C1COc2ccccc2O1 Show InChI InChI=1S/C20H16N2O3/c23-20(19-13-24-17-3-1-2-4-18(17)25-19)22-16-7-5-14(6-8-16)15-9-11-21-12-10-15/h1-12,19H,13H2,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	692	n/a	n/a	n/a	n/a	7.3	22
The Scripps Research Institute					Assay Description Reaction mixture of kemptide, ATP, and test compound was added to the wells using a BioRAPTR FRD Workstation (Aurora Discovery). Reaction was started...				J Med Chem 51: 6642-5 (2008) Article DOI: 10.1021/jm800986w BindingDB Entry DOI: 10.7270/Q2JS9NRN
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 [1-543,T431N] (Homo sapiens (Human))	BDBM25476 (N-{2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)...) Show SMILES CN(C)CCOc1cc(ccc1NC(C)=O)-c1cn[nH]c1 Show InChI InChI=1S/C15H20N4O2/c1-11(20)18-14-5-4-12(13-9-16-17-10-13)8-15(14)21-7-6-19(2)3/h4-5,8-10H,6-7H2,1-3H3,(H,16,17)(H,18,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	7.0	22
The Scripps Research Institute					Assay Description Assays were performed using the STK2 kinase system from Cisbio. Reaction mixture containing STK2 substrate, ATP and test compound was added to the we...				J Med Chem 51: 6642-5 (2008) Article DOI: 10.1021/jm800986w BindingDB Entry DOI: 10.7270/Q2JS9NRN
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 [1-543,T431N] (Homo sapiens (Human))	BDBM25475 (2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)ani...) Show SMILES CN(C)CCOc1cc(ccc1N)-c1cn[nH]c1 Show InChI InChI=1S/C13H18N4O/c1-17(2)5-6-18-13-7-10(3-4-12(13)14)11-8-15-16-9-11/h3-4,7-9H,5-6,14H2,1-2H3,(H,15,16)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	920	n/a	n/a	n/a	n/a	7.0	22
The Scripps Research Institute					Assay Description Assays were performed using the STK2 kinase system from Cisbio. Reaction mixture containing STK2 substrate, ATP and test compound was added to the we...				J Med Chem 51: 6642-5 (2008) Article DOI: 10.1021/jm800986w BindingDB Entry DOI: 10.7270/Q2JS9NRN
					More data for this Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha (Homo sapiens (Human))	BDBM25473 (N-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,3-dihydr...) Show SMILES COc1cc(ccc1NC(=O)C1COc2ccccc2O1)-c1cn[nH]c1 Show InChI InChI=1S/C19H17N3O4/c1-24-17-8-12(13-9-20-21-10-13)6-7-14(17)22-19(23)18-11-25-15-4-2-3-5-16(15)26-18/h2-10,18H,11H2,1H3,(H,20,21)(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	940	n/a	n/a	n/a	n/a	7.3	22
The Scripps Research Institute					Assay Description Reaction mixture of kemptide, ATP, and test compound was added to the wells using a BioRAPTR FRD Workstation (Aurora Discovery). Reaction was started...				J Med Chem 51: 6642-5 (2008) Article DOI: 10.1021/jm800986w BindingDB Entry DOI: 10.7270/Q2JS9NRN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50124787 (2-(5-Methoxy-1H-benzoimidazol-2-ylsulfanylmethyl)-...) Show SMILES CCCCCCCCCCCCCCCc1cccc(O)c1CSc1nc2ccc(OC)cc2[nH]1 Show InChI InChI=1S/C30H44N2O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-24-18-16-19-29(33)26(24)23-35-30-31-27-21-20-25(34-2)22-28(27)32-30/h16,18-22,33H,3-15,17,23H2,1-2H3,(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	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vittal Mallya Scientific Research Foundation Curated by ChEMBL					Assay Description Inhibitory activity against Prostaglandin G/H synthase 2 in human whole blood assay as LPS induced PGE-2 generation.				Bioorg Med Chem Lett 13: 657-60 (2003) BindingDB Entry DOI: 10.7270/Q2QF8S8R
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50124792 (2-(2-Methoxy-6-pentadecyl-benzylsulfanyl)-benzothi...) Show SMILES CCCCCCCCCCCCCCCc1cccc(OC)c1CSc1nc2ccccc2s1 Show InChI InChI=1S/C30H43NOS2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-25-20-18-22-28(32-2)26(25)24-33-30-31-27-21-16-17-23-29(27)34-30/h16-18,20-23H,3-15,19,24H2,1-2H3	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	1.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vittal Mallya Scientific Research Foundation Curated by ChEMBL					Assay Description Inhibitory activity against Prostaglandin G/H synthase 2 in human whole blood assay as LPS induced PGE-2 generation.				Bioorg Med Chem Lett 13: 657-60 (2003) BindingDB Entry DOI: 10.7270/Q2QF8S8R
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha (Homo sapiens (Human))	BDBM25474 (JMC516642 Compound 5 | N-{2-[2-(dimethylamino)etho...) Show SMILES CN(C)CCOc1cc(ccc1NC(=O)C1COc2ccccc2O1)-c1cn[nH]c1 Show InChI InChI=1S/C22H24N4O4/c1-26(2)9-10-28-20-11-15(16-12-23-24-13-16)7-8-17(20)25-22(27)21-14-29-18-5-3-4-6-19(18)30-21/h3-8,11-13,21H,9-10,14H2,1-2H3,(H,23,24)(H,25,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.19E+3	n/a	n/a	n/a	n/a	7.3	22
The Scripps Research Institute					Assay Description The mixture of a S6-peptide, ATP, and test compound was added to the wells using a BioRAPTR FRD Workstation (Aurora Discovery). Reaction was started ...				J Med Chem 51: 6642-5 (2008) Article DOI: 10.1021/jm800986w BindingDB Entry DOI: 10.7270/Q2JS9NRN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha (Homo sapiens (Human))	BDBM25472 (CHEMBL519123 | N-[4-(1H-pyrazol-4-yl)phenyl]-2,3-d...) Show SMILES O=C(Nc1ccc(cc1)-c1cn[nH]c1)C1COc2ccccc2O1 Show InChI InChI=1S/C18H15N3O3/c22-18(17-11-23-15-3-1-2-4-16(15)24-17)21-14-7-5-12(6-8-14)13-9-19-20-10-13/h1-10,17H,11H2,(H,19,20)(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.19E+3	n/a	n/a	n/a	n/a	7.3	22
The Scripps Research Institute					Assay Description The mixture of a S6-peptide, ATP, and test compound was added to the wells using a BioRAPTR FRD Workstation (Aurora Discovery). Reaction was started ...				J Med Chem 51: 6642-5 (2008) Article DOI: 10.1021/jm800986w BindingDB Entry DOI: 10.7270/Q2JS9NRN
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM25472 (CHEMBL519123 | N-[4-(1H-pyrazol-4-yl)phenyl]-2,3-d...) Show SMILES O=C(Nc1ccc(cc1)-c1cn[nH]c1)C1COc2ccccc2O1 Show InChI InChI=1S/C18H15N3O3/c22-18(17-11-23-15-3-1-2-4-16(15)24-17)21-14-7-5-12(6-8-14)13-9-19-20-10-13/h1-10,17H,11H2,(H,19,20)(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.41E+3	n/a	n/a	n/a	n/a	7.3	22
The Scripps Research Institute					Assay Description The mixture of a S6-peptide, ATP, and test compound was added to the wells using a BioRAPTR FRD Workstation (Aurora Discovery). Reaction was started ...				J Med Chem 51: 6642-5 (2008) Article DOI: 10.1021/jm800986w BindingDB Entry DOI: 10.7270/Q2JS9NRN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50124790 (2-(2-Ethoxy-6-pentadecyl-benzylsulfanyl)-1H-benzoi...) Show SMILES CCCCCCCCCCCCCCCc1cccc(OCC)c1CSc1nc2ccccc2[nH]1 Show InChI InChI=1S/C31H46N2OS/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20-26-21-19-24-30(34-4-2)27(26)25-35-31-32-28-22-17-18-23-29(28)33-31/h17-19,21-24H,3-16,20,25H2,1-2H3,(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vittal Mallya Scientific Research Foundation Curated by ChEMBL					Assay Description Inhibitory activity against Prostaglandin G/H synthase 2 in human whole blood assay as LPS induced PGE-2 generation.				Bioorg Med Chem Lett 13: 657-60 (2003) BindingDB Entry DOI: 10.7270/Q2QF8S8R
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50124793 (2-(2-Methoxy-6-pentadecyl-benzylsulfanyl)-5-nitro-...) Show SMILES CCCCCCCCCCCCCCCc1cccc(OC)c1CSc1nc2ccc(cc2[nH]1)[N+]([O-])=O Show InChI InChI=1S/C30H43N3O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-24-18-16-19-29(36-2)26(24)23-37-30-31-27-21-20-25(33(34)35)22-28(27)32-30/h16,18-22H,3-15,17,23H2,1-2H3,(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	2.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vittal Mallya Scientific Research Foundation Curated by ChEMBL					Assay Description Inhibitory activity against Prostaglandin G/H synthase 2 in human whole blood assay as LPS induced PGE-2 generation.				Bioorg Med Chem Lett 13: 657-60 (2003) BindingDB Entry DOI: 10.7270/Q2QF8S8R
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50124788 (2-(2-Methoxy-6-pentadecyl-benzylsulfanyl)-5-methyl...) Show SMILES CCCCCCCCCCCCCCCc1cccc(OC)c1CSc1nc2ccc(C)cc2[nH]1 Show InChI InChI=1S/C31H46N2OS/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-26-19-17-20-30(34-3)27(26)24-35-31-32-28-22-21-25(2)23-29(28)33-31/h17,19-23H,4-16,18,24H2,1-3H3,(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vittal Mallya Scientific Research Foundation Curated by ChEMBL					Assay Description Inhibitory activity against Prostaglandin G/H synthase 2 in human whole blood assay as LPS induced PGE-2 generation.				Bioorg Med Chem Lett 13: 657-60 (2003) BindingDB Entry DOI: 10.7270/Q2QF8S8R
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50124782 (2-(2-Methoxy-6-pentadecyl-benzylsulfanyl)-benzooxa...) Show SMILES CCCCCCCCCCCCCCCc1cccc(OC)c1CSc1nc2ccccc2o1 Show InChI InChI=1S/C30H43NO2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-25-20-18-23-28(32-2)26(25)24-34-30-31-27-21-16-17-22-29(27)33-30/h16-18,20-23H,3-15,19,24H2,1-2H3	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	2.77E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vittal Mallya Scientific Research Foundation Curated by ChEMBL					Assay Description Inhibitory activity against Prostaglandin G/H synthase 2 in human whole blood assay as LPS induced PGE-2 generation.				Bioorg Med Chem Lett 13: 657-60 (2003) BindingDB Entry DOI: 10.7270/Q2QF8S8R
					More data for this Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha (Homo sapiens (Human))	BDBM25474 (JMC516642 Compound 5 | N-{2-[2-(dimethylamino)etho...) Show SMILES CN(C)CCOc1cc(ccc1NC(=O)C1COc2ccccc2O1)-c1cn[nH]c1 Show InChI InChI=1S/C22H24N4O4/c1-26(2)9-10-28-20-11-15(16-12-23-24-13-16)7-8-17(20)25-22(27)21-14-29-18-5-3-4-6-19(18)30-21/h3-8,11-13,21H,9-10,14H2,1-2H3,(H,23,24)(H,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.97E+3	n/a	n/a	n/a	n/a	7.3	22
The Scripps Research Institute					Assay Description Reaction mixture of kemptide, ATP, and test compound was added to the wells using a BioRAPTR FRD Workstation (Aurora Discovery). Reaction was started...				J Med Chem 51: 6642-5 (2008) Article DOI: 10.1021/jm800986w BindingDB Entry DOI: 10.7270/Q2JS9NRN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha (Homo sapiens (Human))	BDBM25470 (N-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]-2,3-dihydro-...) Show SMILES O=C(Nc1nc(cs1)-c1ccncc1)C1COc2ccccc2O1 Show InChI InChI=1S/C17H13N3O3S/c21-16(15-9-22-13-3-1-2-4-14(13)23-15)20-17-19-12(10-24-17)11-5-7-18-8-6-11/h1-8,10,15H,9H2,(H,19,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.85E+3	n/a	n/a	n/a	n/a	7.3	22
The Scripps Research Institute					Assay Description The mixture of a S6-peptide, ATP, and test compound was added to the wells using a BioRAPTR FRD Workstation (Aurora Discovery). Reaction was started ...				J Med Chem 51: 6642-5 (2008) Article DOI: 10.1021/jm800986w BindingDB Entry DOI: 10.7270/Q2JS9NRN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50124786 (2-(2-Ethoxy-6-pentadecyl-benzylsulfanyl)-5-methoxy...) Show SMILES CCCCCCCCCCCCCCCc1cccc(OCC)c1CSc1nc2ccc(OC)cc2[nH]1 Show InChI InChI=1S/C32H48N2O2S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-19-26-20-18-21-31(36-5-2)28(26)25-37-32-33-29-23-22-27(35-3)24-30(29)34-32/h18,20-24H,4-17,19,25H2,1-3H3,(H,33,34)	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	6.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vittal Mallya Scientific Research Foundation Curated by ChEMBL					Assay Description Inhibitory activity against Prostaglandin G/H synthase 2 in human whole blood assay as LPS induced PGE-2 generation.				Bioorg Med Chem Lett 13: 657-60 (2003) BindingDB Entry DOI: 10.7270/Q2QF8S8R
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM25471 (N-[4-(pyridin-4-yl)phenyl]-2,3-dihydro-1,4-benzodi...) Show SMILES O=C(Nc1ccc(cc1)-c1ccncc1)C1COc2ccccc2O1 Show InChI InChI=1S/C20H16N2O3/c23-20(19-13-24-17-3-1-2-4-18(17)25-19)22-16-7-5-14(6-8-16)15-9-11-21-12-10-15/h1-12,19H,13H2,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.44E+3	n/a	n/a	n/a	n/a	7.3	22
The Scripps Research Institute					Assay Description The mixture of a S6-peptide, ATP, and test compound was added to the wells using a BioRAPTR FRD Workstation (Aurora Discovery). Reaction was started ...				J Med Chem 51: 6642-5 (2008) Article DOI: 10.1021/jm800986w BindingDB Entry DOI: 10.7270/Q2JS9NRN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha (Homo sapiens (Human))	BDBM25471 (N-[4-(pyridin-4-yl)phenyl]-2,3-dihydro-1,4-benzodi...) Show SMILES O=C(Nc1ccc(cc1)-c1ccncc1)C1COc2ccccc2O1 Show InChI InChI=1S/C20H16N2O3/c23-20(19-13-24-17-3-1-2-4-18(17)25-19)22-16-7-5-14(6-8-16)15-9-11-21-12-10-15/h1-12,19H,13H2,(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.05E+3	n/a	n/a	n/a	n/a	7.3	22
The Scripps Research Institute					Assay Description The mixture of a S6-peptide, ATP, and test compound was added to the wells using a BioRAPTR FRD Workstation (Aurora Discovery). Reaction was started ...				J Med Chem 51: 6642-5 (2008) Article DOI: 10.1021/jm800986w BindingDB Entry DOI: 10.7270/Q2JS9NRN
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM25474 (JMC516642 Compound 5 | N-{2-[2-(dimethylamino)etho...) Show SMILES CN(C)CCOc1cc(ccc1NC(=O)C1COc2ccccc2O1)-c1cn[nH]c1 Show InChI InChI=1S/C22H24N4O4/c1-26(2)9-10-28-20-11-15(16-12-23-24-13-16)7-8-17(20)25-22(27)21-14-29-18-5-3-4-6-19(18)30-21/h3-8,11-13,21H,9-10,14H2,1-2H3,(H,23,24)(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.49E+3	n/a	n/a	n/a	n/a	7.3	22
The Scripps Research Institute					Assay Description The mixture of a S6-peptide, ATP, and test compound was added to the wells using a BioRAPTR FRD Workstation (Aurora Discovery). Reaction was started ...				J Med Chem 51: 6642-5 (2008) Article DOI: 10.1021/jm800986w BindingDB Entry DOI: 10.7270/Q2JS9NRN
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM25473 (N-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,3-dihydr...) Show SMILES COc1cc(ccc1NC(=O)C1COc2ccccc2O1)-c1cn[nH]c1 Show InChI InChI=1S/C19H17N3O4/c1-24-17-8-12(13-9-20-21-10-13)6-7-14(17)22-19(23)18-11-25-15-4-2-3-5-16(15)26-18/h2-10,18H,11H2,1H3,(H,20,21)(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.82E+3	n/a	n/a	n/a	n/a	7.3	22
The Scripps Research Institute					Assay Description The mixture of a S6-peptide, ATP, and test compound was added to the wells using a BioRAPTR FRD Workstation (Aurora Discovery). Reaction was started ...				J Med Chem 51: 6642-5 (2008) Article DOI: 10.1021/jm800986w BindingDB Entry DOI: 10.7270/Q2JS9NRN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50124796 (2-(2-Ethoxy-6-pentadecyl-benzylsulfanyl)-5-methyl-...) Show SMILES CCCCCCCCCCCCCCCc1cccc(OCC)c1CSc1nc2ccc(C)cc2[nH]1 Show InChI InChI=1S/C32H48N2OS/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-19-27-20-18-21-31(35-5-2)28(27)25-36-32-33-29-23-22-26(3)24-30(29)34-32/h18,20-24H,4-17,19,25H2,1-3H3,(H,33,34)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vittal Mallya Scientific Research Foundation Curated by ChEMBL					Assay Description Inhibitory activity against Prostaglandin G/H synthase 2 in human whole blood assay as LPS induced PGE-2 generation.				Bioorg Med Chem Lett 13: 657-60 (2003) BindingDB Entry DOI: 10.7270/Q2QF8S8R
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50124795 (5-Methoxy-2-(2-methoxy-6-pentadecyl-benzylsulfanyl...) Show SMILES CCCCCCCCCCCCCCCc1cccc(OC)c1CSc1nc2ccc(OC)cc2[nH]1 Show InChI InChI=1S/C31H46N2O2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-25-19-17-20-30(35-3)27(25)24-36-31-32-28-22-21-26(34-2)23-29(28)33-31/h17,19-23H,4-16,18,24H2,1-3H3,(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vittal Mallya Scientific Research Foundation Curated by ChEMBL					Assay Description Inhibitory activity against Prostaglandin G/H synthase 2 in human whole blood assay as LPS induced PGE-2 generation.				Bioorg Med Chem Lett 13: 657-60 (2003) BindingDB Entry DOI: 10.7270/Q2QF8S8R
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50124794 (2-(2-Methoxy-6-pentadecyl-benzylsulfanyl)-1H-benzo...) Show SMILES CCCCCCCCCCCCCCCc1cccc(OC)c1CSc1nc2ccccc2[nH]1 Show InChI InChI=1S/C30H44N2OS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-25-20-18-23-29(33-2)26(25)24-34-30-31-27-21-16-17-22-28(27)32-30/h16-18,20-23H,3-15,19,24H2,1-2H3,(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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vittal Mallya Scientific Research Foundation Curated by ChEMBL					Assay Description Inhibitory activity against Prostaglandin G/H synthase 2 in human whole blood assay as LPS induced PGE-2 generation.				Bioorg Med Chem Lett 13: 657-60 (2003) BindingDB Entry DOI: 10.7270/Q2QF8S8R
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50124791 (5-Difluoromethoxy-2-(2-methoxy-6-pentadecyl-benzyl...) Show SMILES CCCCCCCCCCCCCCCc1cccc(OC)c1CSc1nc2ccc(OC(F)F)cc2[nH]1 Show InChI InChI=1S/C31H44F2N2O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-24-18-16-19-29(36-2)26(24)23-38-31-34-27-21-20-25(37-30(32)33)22-28(27)35-31/h16,18-22,30H,3-15,17,23H2,1-2H3,(H,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vittal Mallya Scientific Research Foundation Curated by ChEMBL					Assay Description Inhibitory activity against Prostaglandin G/H synthase 2 in human whole blood assay as LPS induced PGE-2 generation.				Bioorg Med Chem Lett 13: 657-60 (2003) BindingDB Entry DOI: 10.7270/Q2QF8S8R
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50124789 (2-(2-Ethoxy-6-pentadecyl-benzylsulfanyl)-benzothia...) Show SMILES CCCCCCCCCCCCCCCc1cccc(OCC)c1CSc1nc2ccccc2s1 Show InChI InChI=1S/C31H45NOS2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20-26-21-19-23-29(33-4-2)27(26)25-34-31-32-28-22-17-18-24-30(28)35-31/h17-19,21-24H,3-16,20,25H2,1-2H3	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vittal Mallya Scientific Research Foundation Curated by ChEMBL					Assay Description Inhibitory activity against Prostaglandin G/H synthase 2 in human whole blood assay as LPS induced PGE-2 generation.				Bioorg Med Chem Lett 13: 657-60 (2003) BindingDB Entry DOI: 10.7270/Q2QF8S8R
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50124784 (2-(2-Ethoxy-6-pentadecyl-benzylsulfanyl)-benzooxaz...) Show SMILES CCCCCCCCCCCCCCCc1cccc(OCC)c1CSc1nc2ccccc2o1 Show InChI InChI=1S/C31H45NO2S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20-26-21-19-24-29(33-4-2)27(26)25-35-31-32-28-22-17-18-23-30(28)34-31/h17-19,21-24H,3-16,20,25H2,1-2H3	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vittal Mallya Scientific Research Foundation Curated by ChEMBL					Assay Description Inhibitory activity against Prostaglandin G/H synthase 2 in human whole blood assay as LPS induced PGE-2 generation.				Bioorg Med Chem Lett 13: 657-60 (2003) BindingDB Entry DOI: 10.7270/Q2QF8S8R
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50124783 (5-Difluoromethoxy-2-(2-ethoxy-6-pentadecyl-benzyls...) Show SMILES CCCCCCCCCCCCCCCc1cccc(OCC)c1CSc1nc2ccc(OC(F)F)cc2[nH]1 Show InChI InChI=1S/C32H46F2N2O2S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-25-19-17-20-30(37-4-2)27(25)24-39-32-35-28-22-21-26(38-31(33)34)23-29(28)36-32/h17,19-23,31H,3-16,18,24H2,1-2H3,(H,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vittal Mallya Scientific Research Foundation Curated by ChEMBL					Assay Description Inhibitory activity against Prostaglandin G/H synthase 2 in human whole blood assay as LPS induced PGE-2 generation.				Bioorg Med Chem Lett 13: 657-60 (2003) BindingDB Entry DOI: 10.7270/Q2QF8S8R
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM22369 (4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofu...) Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1 |t:11| Show InChI InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
Vittal Mallya Scientific Research Foundation Curated by ChEMBL					Assay Description Inhibitory activity against Prostaglandin G/H synthase 1 in human whole blood assay as TXB2 generation				Bioorg Med Chem Lett 13: 657-60 (2003) BindingDB Entry DOI: 10.7270/Q2QF8S8R
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM25470 (N-[4-(pyridin-4-yl)-1,3-thiazol-2-yl]-2,3-dihydro-...) Show SMILES O=C(Nc1nc(cs1)-c1ccncc1)C1COc2ccccc2O1 Show InChI InChI=1S/C17H13N3O3S/c21-16(15-9-22-13-3-1-2-4-14(13)23-15)20-17-19-12(10-24-17)11-5-7-18-8-6-11/h1-8,10,15H,9H2,(H,19,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	7.3	22
The Scripps Research Institute					Assay Description The mixture of a S6-peptide, ATP, and test compound was added to the wells using a BioRAPTR FRD Workstation (Aurora Discovery). Reaction was started ...				J Med Chem 51: 6642-5 (2008) Article DOI: 10.1021/jm800986w BindingDB Entry DOI: 10.7270/Q2JS9NRN
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50124787 (2-(5-Methoxy-1H-benzoimidazol-2-ylsulfanylmethyl)-...) Show SMILES CCCCCCCCCCCCCCCc1cccc(O)c1CSc1nc2ccc(OC)cc2[nH]1 Show InChI InChI=1S/C30H44N2O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-24-18-16-19-29(33)26(24)23-35-30-31-27-21-20-25(34-2)22-28(27)32-30/h16,18-22,33H,3-15,17,23H2,1-2H3,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.84E+5	n/a	n/a	n/a	n/a	n/a	n/a
Vittal Mallya Scientific Research Foundation Curated by ChEMBL					Assay Description Inhibitory activity against Prostaglandin G/H synthase 1 in human whole blood assay as TXB2 generation				Bioorg Med Chem Lett 13: 657-60 (2003) BindingDB Entry DOI: 10.7270/Q2QF8S8R
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50124785 (2-(2-Ethoxy-6-pentadecyl-benzylsulfanyl)-5-nitro-1...) Show SMILES CCCCCCCCCCCCCCCc1cccc(OCC)c1CSc1nc2ccc(cc2[nH]1)[N+]([O-])=O Show InChI InChI=1S/C31H45N3O3S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-25-19-17-20-30(37-4-2)27(25)24-38-31-32-28-22-21-26(34(35)36)23-29(28)33-31/h17,19-23H,3-16,18,24H2,1-2H3,(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.84E+5	n/a	n/a	n/a	n/a	n/a	n/a
Vittal Mallya Scientific Research Foundation Curated by ChEMBL					Assay Description Inhibitory activity against Prostaglandin G/H synthase 2 in human whole blood assay as LPS induced PGE-2 generation.				Bioorg Med Chem Lett 13: 657-60 (2003) BindingDB Entry DOI: 10.7270/Q2QF8S8R
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50124785 (2-(2-Ethoxy-6-pentadecyl-benzylsulfanyl)-5-nitro-1...) Show SMILES CCCCCCCCCCCCCCCc1cccc(OCC)c1CSc1nc2ccc(cc2[nH]1)[N+]([O-])=O Show InChI InChI=1S/C31H45N3O3S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-25-19-17-20-30(37-4-2)27(25)24-38-31-32-28-22-21-26(34(35)36)23-29(28)33-31/h17,19-23H,3-16,18,24H2,1-2H3,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Vittal Mallya Scientific Research Foundation Curated by ChEMBL					Assay Description Inhibitory activity against Prostaglandin G/H synthase 1 in human whole blood assay as TXB2 generation				Bioorg Med Chem Lett 13: 657-60 (2003) BindingDB Entry DOI: 10.7270/Q2QF8S8R
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50124782 (2-(2-Methoxy-6-pentadecyl-benzylsulfanyl)-benzooxa...) Show SMILES CCCCCCCCCCCCCCCc1cccc(OC)c1CSc1nc2ccccc2o1 Show InChI InChI=1S/C30H43NO2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-25-20-18-23-28(32-2)26(25)24-34-30-31-27-21-16-17-22-29(27)33-30/h16-18,20-23H,3-15,19,24H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Vittal Mallya Scientific Research Foundation Curated by ChEMBL					Assay Description Inhibitory activity against Prostaglandin G/H synthase 1 in human whole blood assay as TXB2 generation				Bioorg Med Chem Lett 13: 657-60 (2003) BindingDB Entry DOI: 10.7270/Q2QF8S8R
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50124790 (2-(2-Ethoxy-6-pentadecyl-benzylsulfanyl)-1H-benzoi...) Show SMILES CCCCCCCCCCCCCCCc1cccc(OCC)c1CSc1nc2ccccc2[nH]1 Show InChI InChI=1S/C31H46N2OS/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20-26-21-19-24-30(34-4-2)27(26)25-35-31-32-28-22-17-18-23-29(28)33-31/h17-19,21-24H,3-16,20,25H2,1-2H3,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Vittal Mallya Scientific Research Foundation Curated by ChEMBL					Assay Description Inhibitory activity against Prostaglandin G/H synthase 1 in human whole blood assay as TXB2 generation				Bioorg Med Chem Lett 13: 657-60 (2003) BindingDB Entry DOI: 10.7270/Q2QF8S8R
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50124792 (2-(2-Methoxy-6-pentadecyl-benzylsulfanyl)-benzothi...) Show SMILES CCCCCCCCCCCCCCCc1cccc(OC)c1CSc1nc2ccccc2s1 Show InChI InChI=1S/C30H43NOS2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-25-20-18-22-28(32-2)26(25)24-33-30-31-27-21-16-17-23-29(27)34-30/h16-18,20-23H,3-15,19,24H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Vittal Mallya Scientific Research Foundation Curated by ChEMBL					Assay Description Inhibitory activity against Prostaglandin G/H synthase 1 in human whole blood assay as TXB2 generation				Bioorg Med Chem Lett 13: 657-60 (2003) BindingDB Entry DOI: 10.7270/Q2QF8S8R
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50124793 (2-(2-Methoxy-6-pentadecyl-benzylsulfanyl)-5-nitro-...) Show SMILES CCCCCCCCCCCCCCCc1cccc(OC)c1CSc1nc2ccc(cc2[nH]1)[N+]([O-])=O Show InChI InChI=1S/C30H43N3O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-24-18-16-19-29(36-2)26(24)23-37-30-31-27-21-20-25(33(34)35)22-28(27)32-30/h16,18-22H,3-15,17,23H2,1-2H3,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Vittal Mallya Scientific Research Foundation Curated by ChEMBL					Assay Description Inhibitory activity against Prostaglandin G/H synthase 1 in human whole blood assay as TXB2 generation				Bioorg Med Chem Lett 13: 657-60 (2003) BindingDB Entry DOI: 10.7270/Q2QF8S8R
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50124786 (2-(2-Ethoxy-6-pentadecyl-benzylsulfanyl)-5-methoxy...) Show SMILES CCCCCCCCCCCCCCCc1cccc(OCC)c1CSc1nc2ccc(OC)cc2[nH]1 Show InChI InChI=1S/C32H48N2O2S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-19-26-20-18-21-31(36-5-2)28(26)25-37-32-33-29-23-22-27(35-3)24-30(29)34-32/h18,20-24H,4-17,19,25H2,1-3H3,(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Vittal Mallya Scientific Research Foundation Curated by ChEMBL					Assay Description Inhibitory activity against Prostaglandin G/H synthase 1 in human whole blood assay as TXB2 generation				Bioorg Med Chem Lett 13: 657-60 (2003) BindingDB Entry DOI: 10.7270/Q2QF8S8R
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM50124788 (2-(2-Methoxy-6-pentadecyl-benzylsulfanyl)-5-methyl...) Show SMILES CCCCCCCCCCCCCCCc1cccc(OC)c1CSc1nc2ccc(C)cc2[nH]1 Show InChI InChI=1S/C31H46N2OS/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-26-19-17-20-30(34-3)27(26)24-35-31-32-28-22-21-25(2)23-29(28)33-31/h17,19-23H,4-16,18,24H2,1-3H3,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Vittal Mallya Scientific Research Foundation Curated by ChEMBL					Assay Description Inhibitory activity against Prostaglandin G/H synthase 1 in human whole blood assay as TXB2 generation				Bioorg Med Chem Lett 13: 657-60 (2003) BindingDB Entry DOI: 10.7270/Q2QF8S8R
					More data for this Ligand-Target Pair