Compile Data Set for Download or QSAR

Found 150 hits with Last Name = 'gensmantel' and Initial = 'n'   

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
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50340003 ((R)-2-(3-amino-1-phenylpropylthio)-6-methylnicotin...) Show SMILES Cc1ccc(C#N)c(S[C@H](CCN)c2ccccc2)n1 |r| Show InChI InChI=1S/C16H17N3S/c1-12-7-8-14(11-18)16(19-12)20-15(9-10-17)13-5-3-2-4-6-13/h2-8,15H,9-10,17H2,1H3/t15-/m1/s1	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	4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Charnwood Curated by ChEMBL					Assay Description Inhibition of human recombinant iNOS				Bioorg Med Chem Lett 21: 2468-71 (2011) Article DOI: 10.1016/j.bmcl.2011.02.061 BindingDB Entry DOI: 10.7270/Q29G5N4S
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50339997 ((R)-2-(3-amino-1-phenylpropoxy)-4-chlorobenzonitri...) Show SMILES NCC[C@@H](Oc1cc(Cl)ccc1C#N)c1ccccc1 |r| Show InChI InChI=1S/C16H15ClN2O/c17-14-7-6-13(11-19)16(10-14)20-15(8-9-18)12-4-2-1-3-5-12/h1-7,10,15H,8-9,18H2/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Charnwood Curated by ChEMBL					Assay Description Inhibition of human recombinant iNOS				Bioorg Med Chem Lett 21: 2468-71 (2011) Article DOI: 10.1016/j.bmcl.2011.02.061 BindingDB Entry DOI: 10.7270/Q29G5N4S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50339998 ((R)-2-(3-amino-1-phenylpropylthio)-4-chlorobenzoni...) Show SMILES NCC[C@@H](Sc1cc(Cl)ccc1C#N)c1ccccc1 |r| Show InChI InChI=1S/C16H15ClN2S/c17-14-7-6-13(11-19)16(10-14)20-15(8-9-18)12-4-2-1-3-5-12/h1-7,10,15H,8-9,18H2/t15-/m1/s1	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	4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Charnwood Curated by ChEMBL					Assay Description Inhibition of human recombinant iNOS				Bioorg Med Chem Lett 21: 2468-71 (2011) Article DOI: 10.1016/j.bmcl.2011.02.061 BindingDB Entry DOI: 10.7270/Q29G5N4S
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50340004 ((R)-2-(3-amino-1-(isoxazol-5-yl)propoxy)-6-(triflu...) Show SMILES NCC[C@@H](Oc1nc(ccc1C#N)C(F)(F)F)c1ccno1 |r| Show InChI InChI=1S/C13H11F3N4O2/c14-13(15,16)11-2-1-8(7-18)12(20-11)21-9(3-5-17)10-4-6-19-22-10/h1-2,4,6,9H,3,5,17H2/t9-/m1/s1	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	5.40	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Charnwood Curated by ChEMBL					Assay Description Inhibition of human recombinant iNOS				Bioorg Med Chem Lett 21: 2468-71 (2011) Article DOI: 10.1016/j.bmcl.2011.02.061 BindingDB Entry DOI: 10.7270/Q29G5N4S
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50340002 (2-[[(1R)-3-Amino-1-phenylpropyl]oxy]-4-chloro-5-fl...) Show SMILES NCC[C@@H](Oc1cc(Cl)c(F)cc1C#N)c1ccccc1 |r| Show InChI InChI=1S/C16H14ClFN2O/c17-13-9-16(12(10-20)8-14(13)18)21-15(6-7-19)11-4-2-1-3-5-11/h1-5,8-9,15H,6-7,19H2/t15-/m1/s1	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	6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Charnwood Curated by ChEMBL					Assay Description Inhibition of human recombinant iNOS				Bioorg Med Chem Lett 21: 2468-71 (2011) Article DOI: 10.1016/j.bmcl.2011.02.061 BindingDB Entry DOI: 10.7270/Q29G5N4S
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50339996 ((R)-4-chloro-2-(3-(methylamino)-1-phenylpropoxy)be...) Show SMILES CNCC[C@@H](Oc1cc(Cl)ccc1C#N)c1ccccc1 |r| Show InChI InChI=1S/C17H17ClN2O/c1-20-10-9-16(13-5-3-2-4-6-13)21-17-11-15(18)8-7-14(17)12-19/h2-8,11,16,20H,9-10H2,1H3/t16-/m1/s1	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	9	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Charnwood Curated by ChEMBL					Assay Description Inhibition of human recombinant iNOS				Bioorg Med Chem Lett 21: 2468-71 (2011) Article DOI: 10.1016/j.bmcl.2011.02.061 BindingDB Entry DOI: 10.7270/Q29G5N4S
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM36395 (5-Fluoro-2-thiophen-2-yl-1,2-dihydroquinazolin-4-a...) Show SMILES NC1=NC(Nc2cccc(F)c12)c1cccs1 |t:1| Show InChI InChI=1S/C12H10FN3S/c13-7-3-1-4-8-10(7)11(14)16-12(15-8)9-5-2-6-17-9/h1-6,12,15H,(H2,14,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	7.0	37
The Scripps Research Institute					Assay Description Nitric oxide formation from NOS was monitored by the hemoglobin capture assay. The assay was initiated by addition of enzyme and was monitored at 401...				Nat Chem Biol 4: 700-7 (2008) Article DOI: 10.1038/nchembio.115 BindingDB Entry DOI: 10.7270/Q2SB443Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50091817 (4-Methyl-6-propyl-pyridin-2-ylamine | 4-Methyl-6-p...) Show SMILES CCCc1cc(C)cc(N)n1 Show InChI InChI=1S/C9H14N2/c1-3-4-8-5-7(2)6-9(10)11-8/h5-6H,3-4H2,1-2H3,(H2,10,11)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	7.0	37
The Scripps Research Institute					Assay Description Nitric oxide formation from NOS was monitored by the hemoglobin capture assay. The assay was initiated by addition of enzyme and was monitored at 401...				Nat Chem Biol 4: 700-7 (2008) Article DOI: 10.1038/nchembio.115 BindingDB Entry DOI: 10.7270/Q2SB443Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Platelet-activating factor acetylhydrolase [136-227] (Sus scrofa)	BDBM50040461 ((S)-5-(4-Benzyl-phenylsulfanyl)-4-((S)-7-phenyl-he...) Show SMILES OC(=O)CC[C@@H](CSc1ccc(Cc2ccccc2)cc1)NC(=O)CCCCCCc1ccccc1 Show InChI InChI=1S/C31H37NO3S/c33-30(16-10-2-1-5-11-25-12-6-3-7-13-25)32-28(19-22-31(34)35)24-36-29-20-17-27(18-21-29)23-26-14-8-4-9-15-26/h3-4,6-9,12-15,17-18,20-21,28H,1-2,5,10-11,16,19,22-24H2,(H,32,33)(H,34,35)/t28-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Fisons plc Curated by ChEMBL					Assay Description In vitro activity against porcine pancreatic phospholipase-A2 (PLA2) and monomerically dispersed substrate				J Med Chem 37: 557-9 (1994) BindingDB Entry DOI: 10.7270/Q28W3CB7
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase [136-227] (Sus scrofa)	BDBM50040458 ((S)-4-((S)-(E)-Dec-3-enoylamino)-5-(naphthalen-2-y...) Show SMILES CCCCCC\C=C\CC(=O)N[C@@H](CCC(O)=O)CSc1ccc2ccccc2c1 Show InChI InChI=1S/C25H33NO3S/c1-2-3-4-5-6-7-8-13-24(27)26-22(15-17-25(28)29)19-30-23-16-14-20-11-9-10-12-21(20)18-23/h7-12,14,16,18,22H,2-6,13,15,17,19H2,1H3,(H,26,27)(H,28,29)/b8-7+/t22-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Fisons plc Curated by ChEMBL					Assay Description In vitro activity against porcine pancreatic phospholipase-A2 (PLA2) and monomerically dispersed substrate				J Med Chem 37: 557-9 (1994) BindingDB Entry DOI: 10.7270/Q28W3CB7
					More data for this Ligand-Target Pair
Phospholipase A2, membrane associated (Homo sapiens (Human))	BDBM50040461 ((S)-5-(4-Benzyl-phenylsulfanyl)-4-((S)-7-phenyl-he...) Show SMILES OC(=O)CC[C@@H](CSc1ccc(Cc2ccccc2)cc1)NC(=O)CCCCCCc1ccccc1 Show InChI InChI=1S/C31H37NO3S/c33-30(16-10-2-1-5-11-25-12-6-3-7-13-25)32-28(19-22-31(34)35)24-36-29-20-17-27(18-21-29)23-26-14-8-4-9-15-26/h3-4,6-9,12-15,17-18,20-21,28H,1-2,5,10-11,16,19,22-24H2,(H,32,33)(H,34,35)/t28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Fisons plc Curated by ChEMBL					Assay Description Compound was tested for in vitro activity against s-phospholipase A2 (s-PLA2) isolated from human platelets				J Med Chem 37: 557-9 (1994) BindingDB Entry DOI: 10.7270/Q28W3CB7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50339995 ((R)-3-(2,5-dichlorophenoxy)-N-methyl-3-phenylpropa...) Show SMILES CNCC[C@@H](Oc1cc(Cl)ccc1Cl)c1ccccc1 |r| Show InChI InChI=1S/C16H17Cl2NO/c1-19-10-9-15(12-5-3-2-4-6-12)20-16-11-13(17)7-8-14(16)18/h2-8,11,15,19H,9-10H2,1H3/t15-/m1/s1	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	22	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Charnwood Curated by ChEMBL					Assay Description Inhibition of human recombinant iNOS				Bioorg Med Chem Lett 21: 2468-71 (2011) Article DOI: 10.1016/j.bmcl.2011.02.061 BindingDB Entry DOI: 10.7270/Q29G5N4S
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50091817 (4-Methyl-6-propyl-pyridin-2-ylamine | 4-Methyl-6-p...) Show SMILES CCCc1cc(C)cc(N)n1 Show InChI InChI=1S/C9H14N2/c1-3-4-8-5-7(2)6-9(10)11-8/h5-6H,3-4H2,1-2H3,(H2,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	7.0	37
The Scripps Research Institute					Assay Description Nitric oxide formation from NOS was monitored by the hemoglobin capture assay. The assay was initiated by addition of enzyme and was monitored at 401...				Nat Chem Biol 4: 700-7 (2008) Article DOI: 10.1038/nchembio.115 BindingDB Entry DOI: 10.7270/Q2SB443Q
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase [136-227] (Sus scrofa)	BDBM50040464 ((S)-3-((S)-(E)-Dec-3-enoylamino)-4-(naphthalen-2-y...) Show SMILES CCCCCC\C=C\CC(=O)N[C@H](CSc1ccc2ccccc2c1)CC(O)=O Show InChI InChI=1S/C24H31NO3S/c1-2-3-4-5-6-7-8-13-23(26)25-21(17-24(27)28)18-29-22-15-14-19-11-9-10-12-20(19)16-22/h7-12,14-16,21H,2-6,13,17-18H2,1H3,(H,25,26)(H,27,28)/b8-7+/t21-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Fisons plc Curated by ChEMBL					Assay Description In vitro activity against porcine pancreatic phospholipase-A2 (PLA2) and monomerically dispersed substrate				J Med Chem 37: 557-9 (1994) BindingDB Entry DOI: 10.7270/Q28W3CB7
					More data for this Ligand-Target Pair
Phospholipase A2, major isoenzyme (Sus scrofa (pig))	BDBM50004502 (CHEMBL101972 | Phosphoric acid 2-hexadecanoylamino...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(O)(=O)OCCO)CC(C)C Show InChI InChI=1S/C24H50NO6P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(27)25-23(20-22(2)3)21-31-32(28,29)30-19-18-26/h22-23,26H,4-21H2,1-3H3,(H,25,27)(H,28,29)/t23-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Fisons plc Curated by ChEMBL					Assay Description In vitro inhibition of porcine pancreatic phospholipase A2 evaluated by monomeric substrate assay				J Med Chem 35: 2939-51 (1992) BindingDB Entry DOI: 10.7270/Q2RF5T0R
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase [136-227] (Sus scrofa)	BDBM50040455 ((S)-4-(4-Benzyl-phenylsulfanyl)-3-((S)-(E)-dec-3-e...) Show SMILES CCCCCC\C=C\CC(=O)N[C@H](CSc1ccc(Cc2ccccc2)cc1)CC(O)=O Show InChI InChI=1S/C27H35NO3S/c1-2-3-4-5-6-7-11-14-26(29)28-24(20-27(30)31)21-32-25-17-15-23(16-18-25)19-22-12-9-8-10-13-22/h7-13,15-18,24H,2-6,14,19-21H2,1H3,(H,28,29)(H,30,31)/b11-7+/t24-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Fisons plc Curated by ChEMBL					Assay Description In vitro activity against porcine pancreatic phospholipase-A2 (PLA2) and monomerically dispersed substrate				J Med Chem 37: 557-9 (1994) BindingDB Entry DOI: 10.7270/Q28W3CB7
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase [136-227] (Sus scrofa)	BDBM50040461 ((S)-5-(4-Benzyl-phenylsulfanyl)-4-((S)-7-phenyl-he...) Show SMILES OC(=O)CC[C@@H](CSc1ccc(Cc2ccccc2)cc1)NC(=O)CCCCCCc1ccccc1 Show InChI InChI=1S/C31H37NO3S/c33-30(16-10-2-1-5-11-25-12-6-3-7-13-25)32-28(19-22-31(34)35)24-36-29-20-17-27(18-21-29)23-26-14-8-4-9-15-26/h3-4,6-9,12-15,17-18,20-21,28H,1-2,5,10-11,16,19,22-24H2,(H,32,33)(H,34,35)/t28-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Fisons plc Curated by ChEMBL					Assay Description Compound was tested for in vitro activity against porcine pancreatic phospholipase-A2 (PLA2) and micellar substrate with deoxycholate (DOC)				J Med Chem 37: 557-9 (1994) BindingDB Entry DOI: 10.7270/Q28W3CB7
					More data for this Ligand-Target Pair
Phospholipase A2, major isoenzyme (Sus scrofa (pig))	BDBM50004495 (CHEMBL101015 | Hexadecanoic acid 3-[hydroxy-(2-hyd...) Show SMILES CCCCCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCCO)NC(=O)CCCCCCCCCCCCC Show InChI InChI=1S/C35H70NO8P/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-35(39)42-31-33(32-44-45(40,41)43-30-29-37)36-34(38)27-25-23-21-19-17-14-12-10-8-6-4-2/h33,37H,3-32H2,1-2H3,(H,36,38)(H,40,41)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Fisons plc Curated by ChEMBL					Assay Description In vitro inhibition of porcine pancreatic phospholipase A2 evaluated by monomeric substrate assay				J Med Chem 35: 2939-51 (1992) BindingDB Entry DOI: 10.7270/Q2RF5T0R
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM36396 (CD24894148 | N-[2-(4-Amino-5,8-difluoro-1,2-dihydr...) Show SMILES NC1=NC(CCNC(=O)c2ccoc2)Nc2c(F)ccc(F)c12 |t:1| Show InChI InChI=1S/C15H14F2N4O2/c16-9-1-2-10(17)13-12(9)14(18)21-11(20-13)3-5-19-15(22)8-4-6-23-7-8/h1-2,4,6-7,11,20H,3,5H2,(H2,18,21)(H,19,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	7.0	37
The Scripps Research Institute					Assay Description Nitric oxide formation from NOS was monitored by the hemoglobin capture assay. The assay was initiated by addition of enzyme and was monitored at 401...				Nat Chem Biol 4: 700-7 (2008) Article DOI: 10.1038/nchembio.115 BindingDB Entry DOI: 10.7270/Q2SB443Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50091817 (4-Methyl-6-propyl-pyridin-2-ylamine | 4-Methyl-6-p...) Show SMILES CCCc1cc(C)cc(N)n1 Show InChI InChI=1S/C9H14N2/c1-3-4-8-5-7(2)6-9(10)11-8/h5-6H,3-4H2,1-2H3,(H2,10,11)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	7.0	37
The Scripps Research Institute					Assay Description Nitric oxide formation from NOS was monitored by the hemoglobin capture assay. The assay was initiated by addition of enzyme and was monitored at 401...				Nat Chem Biol 4: 700-7 (2008) Article DOI: 10.1038/nchembio.115 BindingDB Entry DOI: 10.7270/Q2SB443Q
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50124535 (1-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-DIFLUOROSPIRO[...) Show SMILES NC1=NC2(CCN(CC2)C(=O)c2ccc(nc2)C#N)Nc2c(F)ccc(F)c12 |t:1| Show InChI InChI=1S/C19H16F2N6O/c20-13-3-4-14(21)16-15(13)17(23)26-19(25-16)5-7-27(8-6-19)18(28)11-1-2-12(9-22)24-10-11/h1-4,10,25H,5-8H2,(H2,23,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	7.0	37
The Scripps Research Institute					Assay Description Nitric oxide formation from NOS was monitored by the hemoglobin capture assay. The assay was initiated by addition of enzyme and was monitored at 401...				Nat Chem Biol 4: 700-7 (2008) Article DOI: 10.1038/nchembio.115 BindingDB Entry DOI: 10.7270/Q2SB443Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM36402 ((3R)-3-Propyl-2,3-dihydrothieno[2,3-f][1,4]oxazepi...) Show SMILES CCC[C@@H]1COc2ccsc2C(N)=N1 |c:13| Show InChI InChI=1S/C10H14N2OS/c1-2-3-7-6-13-8-4-5-14-9(8)10(11)12-7/h4-5,7H,2-3,6H2,1H3,(H2,11,12)/t7-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	7.0	37
The Scripps Research Institute					Assay Description Nitric oxide formation from NOS was monitored by the hemoglobin capture assay. The assay was initiated by addition of enzyme and was monitored at 401...				Nat Chem Biol 4: 700-7 (2008) Article DOI: 10.1038/nchembio.115 BindingDB Entry DOI: 10.7270/Q2SB443Q
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM36401 ((2S)-2-Methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepi...) Show SMILES C[C@H]1CN=C(N)c2sccc2O1 |t:3| Show InChI InChI=1S/C8H10N2OS/c1-5-4-10-8(9)7-6(11-5)2-3-12-7/h2-3,5H,4H2,1H3,(H2,9,10)/t5-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	7.0	37
The Scripps Research Institute					Assay Description Nitric oxide formation from NOS was monitored by the hemoglobin capture assay. The assay was initiated by addition of enzyme and was monitored at 401...				Nat Chem Biol 4: 700-7 (2008) Article DOI: 10.1038/nchembio.115 BindingDB Entry DOI: 10.7270/Q2SB443Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50124535 (1-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-DIFLUOROSPIRO[...) Show SMILES NC1=NC2(CCN(CC2)C(=O)c2ccc(nc2)C#N)Nc2c(F)ccc(F)c12 |t:1| Show InChI InChI=1S/C19H16F2N6O/c20-13-3-4-14(21)16-15(13)17(23)26-19(25-16)5-7-27(8-6-19)18(28)11-1-2-12(9-22)24-10-11/h1-4,10,25H,5-8H2,(H2,23,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Charnwood Curated by ChEMBL					Assay Description Inhibition of human recombinant iNOS				Bioorg Med Chem Lett 21: 2468-71 (2011) Article DOI: 10.1016/j.bmcl.2011.02.061 BindingDB Entry DOI: 10.7270/Q29G5N4S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM36402 ((3R)-3-Propyl-2,3-dihydrothieno[2,3-f][1,4]oxazepi...) Show SMILES CCC[C@@H]1COc2ccsc2C(N)=N1 |c:13| Show InChI InChI=1S/C10H14N2OS/c1-2-3-7-6-13-8-4-5-14-9(8)10(11)12-7/h4-5,7H,2-3,6H2,1H3,(H2,11,12)/t7-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	7.0	37
The Scripps Research Institute					Assay Description Nitric oxide formation from NOS was monitored by the hemoglobin capture assay. The assay was initiated by addition of enzyme and was monitored at 401...				Nat Chem Biol 4: 700-7 (2008) Article DOI: 10.1038/nchembio.115 BindingDB Entry DOI: 10.7270/Q2SB443Q
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50340001 (CHEMBL1762478 | rac-4-chloro-2-(1-(methylamino)pen...) Show SMILES CCC(CCNC)Oc1cc(Cl)ccc1C#N Show InChI InChI=1S/C13H17ClN2O/c1-3-12(6-7-16-2)17-13-8-11(14)5-4-10(13)9-15/h4-5,8,12,16H,3,6-7H2,1-2H3	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	51	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Charnwood Curated by ChEMBL					Assay Description Inhibition of human recombinant iNOS				Bioorg Med Chem Lett 21: 2468-71 (2011) Article DOI: 10.1016/j.bmcl.2011.02.061 BindingDB Entry DOI: 10.7270/Q29G5N4S
					More data for this Ligand-Target Pair
Phospholipase A2, membrane associated (Homo sapiens (Human))	BDBM50040466 ((S)-4-(4-Benzyl-phenylsulfanyl)-3-((S)-7-phenyl-he...) Show SMILES OC(=O)C[C@@H](CSc1ccc(Cc2ccccc2)cc1)NC(=O)CCCCCCc1ccccc1 Show InChI InChI=1S/C30H35NO3S/c32-29(16-10-2-1-5-11-24-12-6-3-7-13-24)31-27(22-30(33)34)23-35-28-19-17-26(18-20-28)21-25-14-8-4-9-15-25/h3-4,6-9,12-15,17-20,27H,1-2,5,10-11,16,21-23H2,(H,31,32)(H,33,34)/t27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Fisons plc Curated by ChEMBL					Assay Description Compound was tested for in vitro activity against s-phospholipase A2 (s-PLA2) isolated from human platelets				J Med Chem 37: 557-9 (1994) BindingDB Entry DOI: 10.7270/Q28W3CB7
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50339999 ((R)-2-(3-(methylamino)-1-phenylpropoxy)-4-(trifluo...) Show SMILES CNCC[C@@H](Oc1cc(ccc1C#N)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C18H17F3N2O/c1-23-10-9-16(13-5-3-2-4-6-13)24-17-11-15(18(19,20)21)8-7-14(17)12-22/h2-8,11,16,23H,9-10H2,1H3/t16-/m1/s1	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	71	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Charnwood Curated by ChEMBL					Assay Description Inhibition of human recombinant iNOS				Bioorg Med Chem Lett 21: 2468-71 (2011) Article DOI: 10.1016/j.bmcl.2011.02.061 BindingDB Entry DOI: 10.7270/Q29G5N4S
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50148167 (4-(4-(4-methoxypyridin-2-ylamino)piperidine-1-carb...) Show SMILES COc1ccnc(NC2CCN(CC2)C(=O)c2ccc(cc2)C#N)c1 Show InChI InChI=1S/C19H20N4O2/c1-25-17-6-9-21-18(12-17)22-16-7-10-23(11-8-16)19(24)15-4-2-14(13-20)3-5-15/h2-6,9,12,16H,7-8,10-11H2,1H3,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	7.0	37
The Scripps Research Institute					Assay Description Nitric oxide formation from NOS was monitored by the hemoglobin capture assay. The assay was initiated by addition of enzyme and was monitored at 401...				Nat Chem Biol 4: 700-7 (2008) Article DOI: 10.1038/nchembio.115 BindingDB Entry DOI: 10.7270/Q2SB443Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM36401 ((2S)-2-Methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepi...) Show SMILES C[C@H]1CN=C(N)c2sccc2O1 |t:3| Show InChI InChI=1S/C8H10N2OS/c1-5-4-10-8(9)7-6(11-5)2-3-12-7/h2-3,5H,4H2,1H3,(H2,9,10)/t5-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	7.0	37
The Scripps Research Institute					Assay Description Nitric oxide formation from NOS was monitored by the hemoglobin capture assay. The assay was initiated by addition of enzyme and was monitored at 401...				Nat Chem Biol 4: 700-7 (2008) Article DOI: 10.1038/nchembio.115 BindingDB Entry DOI: 10.7270/Q2SB443Q
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM36401 ((2S)-2-Methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepi...) Show SMILES C[C@H]1CN=C(N)c2sccc2O1 |t:3| Show InChI InChI=1S/C8H10N2OS/c1-5-4-10-8(9)7-6(11-5)2-3-12-7/h2-3,5H,4H2,1H3,(H2,9,10)/t5-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	7.0	37
The Scripps Research Institute					Assay Description Nitric oxide formation from NOS was monitored by the hemoglobin capture assay. The assay was initiated by addition of enzyme and was monitored at 401...				Nat Chem Biol 4: 700-7 (2008) Article DOI: 10.1038/nchembio.115 BindingDB Entry DOI: 10.7270/Q2SB443Q
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50148164 (4-(4-Methoxy-pyridin-2-ylamino)-piperidine-1-carbo...) Show SMILES CCOC(=O)N1CCC(CC1)Nc1cc(OC)ccn1 Show InChI InChI=1S/C14H21N3O3/c1-3-20-14(18)17-8-5-11(6-9-17)16-13-10-12(19-2)4-7-15-13/h4,7,10-11H,3,5-6,8-9H2,1-2H3,(H,15,16)	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	90	n/a	n/a	n/a	n/a	7.0	37
The Scripps Research Institute					Assay Description Nitric oxide formation from NOS was monitored by the hemoglobin capture assay. The assay was initiated by addition of enzyme and was monitored at 401...				Nat Chem Biol 4: 700-7 (2008) Article DOI: 10.1038/nchembio.115 BindingDB Entry DOI: 10.7270/Q2SB443Q
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase [136-227] (Sus scrofa)	BDBM50040465 ((S)-3-((S)-(E)-Dec-3-enoylamino)-4-phenylsulfanyl-...) Show SMILES CCCCCC\C=C\CC(=O)N[C@H](CSc1ccccc1)CC(O)=O Show InChI InChI=1S/C20H29NO3S/c1-2-3-4-5-6-7-11-14-19(22)21-17(15-20(23)24)16-25-18-12-9-8-10-13-18/h7-13,17H,2-6,14-16H2,1H3,(H,21,22)(H,23,24)/b11-7+/t17-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
Fisons plc Curated by ChEMBL					Assay Description In vitro activity against porcine pancreatic phospholipase-A2 (PLA2) and monomerically dispersed substrate				J Med Chem 37: 557-9 (1994) BindingDB Entry DOI: 10.7270/Q28W3CB7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50124535 (1-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-DIFLUOROSPIRO[...) Show SMILES NC1=NC2(CCN(CC2)C(=O)c2ccc(nc2)C#N)Nc2c(F)ccc(F)c12 |t:1| Show InChI InChI=1S/C19H16F2N6O/c20-13-3-4-14(21)16-15(13)17(23)26-19(25-16)5-7-27(8-6-19)18(28)11-1-2-12(9-22)24-10-11/h1-4,10,25H,5-8H2,(H2,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Charnwood Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 21: 2468-71 (2011) Article DOI: 10.1016/j.bmcl.2011.02.061 BindingDB Entry DOI: 10.7270/Q29G5N4S
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50340000 ((R)-4-methoxy-2-(3-(methylamino)-1-phenylpropoxy)b...) Show SMILES CNCC[C@@H](Oc1cc(OC)ccc1C#N)c1ccccc1 |r| Show InChI InChI=1S/C18H20N2O2/c1-20-11-10-17(14-6-4-3-5-7-14)22-18-12-16(21-2)9-8-15(18)13-19/h3-9,12,17,20H,10-11H2,1-2H3/t17-/m1/s1	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	110	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Charnwood Curated by ChEMBL					Assay Description Inhibition of human recombinant iNOS				Bioorg Med Chem Lett 21: 2468-71 (2011) Article DOI: 10.1016/j.bmcl.2011.02.061 BindingDB Entry DOI: 10.7270/Q29G5N4S
					More data for this Ligand-Target Pair
Group 10 secretory phospholipase A2 (Homo sapiens (Human))	BDBM50040455 ((S)-4-(4-Benzyl-phenylsulfanyl)-3-((S)-(E)-dec-3-e...) Show SMILES CCCCCC\C=C\CC(=O)N[C@H](CSc1ccc(Cc2ccccc2)cc1)CC(O)=O Show InChI InChI=1S/C27H35NO3S/c1-2-3-4-5-6-7-11-14-26(29)28-24(20-27(30)31)21-32-25-17-15-23(16-18-25)19-22-12-9-8-10-13-22/h7-13,15-18,24H,2-6,14,19-21H2,1H3,(H,28,29)(H,30,31)/b11-7+/t24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Fisons plc Curated by ChEMBL					Assay Description In vitro activity against porcine pancreatic phospholipase-A2 (PLA2) and micellar substrate with deoxycholate (DOC)				J Med Chem 37: 557-9 (1994) BindingDB Entry DOI: 10.7270/Q28W3CB7
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM36399 (CID10221335 | N-[2-(6-Amino-4-methylpyridin-2-yl)e...) Show SMILES Cc1cc(N)nc(CCNC(=O)c2ccc(cc2)C#N)c1 Show InChI InChI=1S/C16H16N4O/c1-11-8-14(20-15(18)9-11)6-7-19-16(21)13-4-2-12(10-17)3-5-13/h2-5,8-9H,6-7H2,1H3,(H2,18,20)(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	7.0	37
The Scripps Research Institute					Assay Description Nitric oxide formation from NOS was monitored by the hemoglobin capture assay. The assay was initiated by addition of enzyme and was monitored at 401...				Nat Chem Biol 4: 700-7 (2008) Article DOI: 10.1038/nchembio.115 BindingDB Entry DOI: 10.7270/Q2SB443Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50091800 (2-amino-4-methylpyridine | 4-METHYLPYRIDIN-2-AMINE...) Show SMILES Cc1ccnc(N)c1 Show InChI InChI=1S/C6H8N2/c1-5-2-3-8-6(7)4-5/h2-4H,1H3,(H2,7,8)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	7.0	37
The Scripps Research Institute					Assay Description Nitric oxide formation from NOS was monitored by the hemoglobin capture assay. The assay was initiated by addition of enzyme and was monitored at 401...				Nat Chem Biol 4: 700-7 (2008) Article DOI: 10.1038/nchembio.115 BindingDB Entry DOI: 10.7270/Q2SB443Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM36397 ((4-Amino-5-fluorospiro[1H-quinazoline-2,4'-pip...) Show SMILES NCc1ccc(cc1)C(=O)N1CCC2(CC1)Nc1cccc(F)c1C(N)=N2 |c:28| Show InChI InChI=1S/C20H22FN5O/c21-15-2-1-3-16-17(15)18(23)25-20(24-16)8-10-26(11-9-20)19(27)14-6-4-13(12-22)5-7-14/h1-7,24H,8-12,22H2,(H2,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	7.0	37
The Scripps Research Institute					Assay Description Nitric oxide formation from NOS was monitored by the hemoglobin capture assay. The assay was initiated by addition of enzyme and was monitored at 401...				Nat Chem Biol 4: 700-7 (2008) Article DOI: 10.1038/nchembio.115 BindingDB Entry DOI: 10.7270/Q2SB443Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50091800 (2-amino-4-methylpyridine | 4-METHYLPYRIDIN-2-AMINE...) Show SMILES Cc1ccnc(N)c1 Show InChI InChI=1S/C6H8N2/c1-5-2-3-8-6(7)4-5/h2-4H,1H3,(H2,7,8)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	7.0	37
The Scripps Research Institute					Assay Description Nitric oxide formation from NOS was monitored by the hemoglobin capture assay. The assay was initiated by addition of enzyme and was monitored at 401...				Nat Chem Biol 4: 700-7 (2008) Article DOI: 10.1038/nchembio.115 BindingDB Entry DOI: 10.7270/Q2SB443Q
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase [136-227] (Sus scrofa)	BDBM50040456 ((R)-3-((S)-Hexadecanoylamino)-5-methyl-hexanoic ac...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@H](CC(C)C)CC(O)=O Show InChI InChI=1S/C23H45NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(25)24-21(18-20(2)3)19-23(26)27/h20-21H,4-19H2,1-3H3,(H,24,25)(H,26,27)/t21-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Fisons plc Curated by ChEMBL					Assay Description In vitro activity against porcine pancreatic phospholipase-A2 (PLA2) and monomerically dispersed substrate				J Med Chem 37: 557-9 (1994) BindingDB Entry DOI: 10.7270/Q28W3CB7
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50339998 ((R)-2-(3-amino-1-phenylpropylthio)-4-chlorobenzoni...) Show SMILES NCC[C@@H](Sc1cc(Cl)ccc1C#N)c1ccccc1 |r| Show InChI InChI=1S/C16H15ClN2S/c17-14-7-6-13(11-19)16(10-14)20-15(8-9-18)12-4-2-1-3-5-12/h1-7,10,15H,8-9,18H2/t15-/m1/s1	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	200	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Charnwood Curated by ChEMBL					Assay Description Inhibition of iNOS in intact human DLD1 cells assessed as nitric oxide production				Bioorg Med Chem Lett 21: 2468-71 (2011) Article DOI: 10.1016/j.bmcl.2011.02.061 BindingDB Entry DOI: 10.7270/Q29G5N4S
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase [136-227] (Sus scrofa)	BDBM50040463 ((S)-4-((S)-Hexadecanoylamino)-6-methyl-heptanoic a...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(O)=O)CC(C)C Show InChI InChI=1S/C24H47NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)25-22(20-21(2)3)18-19-24(27)28/h21-22H,4-20H2,1-3H3,(H,25,26)(H,27,28)/t22-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Fisons plc Curated by ChEMBL					Assay Description In vitro activity against porcine pancreatic phospholipase-A2 (PLA2) and monomerically dispersed substrate				J Med Chem 37: 557-9 (1994) BindingDB Entry DOI: 10.7270/Q28W3CB7
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM36402 ((3R)-3-Propyl-2,3-dihydrothieno[2,3-f][1,4]oxazepi...) Show SMILES CCC[C@@H]1COc2ccsc2C(N)=N1 |c:13| Show InChI InChI=1S/C10H14N2OS/c1-2-3-7-6-13-8-4-5-14-9(8)10(11)12-7/h4-5,7H,2-3,6H2,1H3,(H2,11,12)/t7-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	7.0	37
The Scripps Research Institute					Assay Description Nitric oxide formation from NOS was monitored by the hemoglobin capture assay. The assay was initiated by addition of enzyme and was monitored at 401...				Nat Chem Biol 4: 700-7 (2008) Article DOI: 10.1038/nchembio.115 BindingDB Entry DOI: 10.7270/Q2SB443Q
					More data for this Ligand-Target Pair
Phospholipase A2, major isoenzyme (Sus scrofa (pig))	BDBM50004499 ((R)-O-(2-Hexadecanamidoisohexyl) phosphocholine | ...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)CC(C)C Show InChI InChI=1S/C27H57N2O5P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(30)28-26(23-25(2)3)24-34-35(31,32)33-22-21-29(4,5)6/h25-26H,7-24H2,1-6H3,(H-,28,30,31,32)/t26-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Fisons plc Curated by ChEMBL					Assay Description In vitro inhibition of porcine pancreatic phospholipase A2 evaluated by Deoxycholate-phospholipid mixed micelle assay				J Med Chem 35: 2939-51 (1992) BindingDB Entry DOI: 10.7270/Q2RF5T0R
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase [136-227] (Sus scrofa)	BDBM50040462 ((R)-3-((S)-(E)-Dec-3-enoylamino)-5-methyl-hexanoic...) Show SMILES CCCCCC\C=C\CC(=O)N[C@H](CC(C)C)CC(O)=O Show InChI InChI=1S/C17H31NO3/c1-4-5-6-7-8-9-10-11-16(19)18-15(12-14(2)3)13-17(20)21/h9-10,14-15H,4-8,11-13H2,1-3H3,(H,18,19)(H,20,21)/b10-9+/t15-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Fisons plc Curated by ChEMBL					Assay Description In vitro activity against porcine pancreatic phospholipase-A2 (PLA2) and monomerically dispersed substrate				J Med Chem 37: 557-9 (1994) BindingDB Entry DOI: 10.7270/Q28W3CB7
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase [136-227] (Sus scrofa)	BDBM50004499 ((R)-O-(2-Hexadecanamidoisohexyl) phosphocholine | ...) Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)CC(C)C Show InChI InChI=1S/C27H57N2O5P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(30)28-26(23-25(2)3)24-34-35(31,32)33-22-21-29(4,5)6/h25-26H,7-24H2,1-6H3,(H-,28,30,31,32)/t26-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Fisons plc Curated by ChEMBL					Assay Description In vitro activity against porcine pancreatic phospholipase-A2 (PLA2) and monomerically dispersed substrate				J Med Chem 37: 557-9 (1994) BindingDB Entry DOI: 10.7270/Q28W3CB7
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50340000 ((R)-4-methoxy-2-(3-(methylamino)-1-phenylpropoxy)b...) Show SMILES CNCC[C@@H](Oc1cc(OC)ccc1C#N)c1ccccc1 |r| Show InChI InChI=1S/C18H20N2O2/c1-20-11-10-17(14-6-4-3-5-7-14)22-18-12-16(21-2)9-8-15(18)13-19/h3-9,12,17,20H,10-11H2,1-2H3/t17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Charnwood Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 21: 2468-71 (2011) Article DOI: 10.1016/j.bmcl.2011.02.061 BindingDB Entry DOI: 10.7270/Q29G5N4S
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50091800 (2-amino-4-methylpyridine | 4-METHYLPYRIDIN-2-AMINE...) Show SMILES Cc1ccnc(N)c1 Show InChI InChI=1S/C6H8N2/c1-5-2-3-8-6(7)4-5/h2-4H,1H3,(H2,7,8)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	7.0	37
The Scripps Research Institute					Assay Description Nitric oxide formation from NOS was monitored by the hemoglobin capture assay. The assay was initiated by addition of enzyme and was monitored at 401...				Nat Chem Biol 4: 700-7 (2008) Article DOI: 10.1038/nchembio.115 BindingDB Entry DOI: 10.7270/Q2SB443Q
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50340002 (2-[[(1R)-3-Amino-1-phenylpropyl]oxy]-4-chloro-5-fl...) Show SMILES NCC[C@@H](Oc1cc(Cl)c(F)cc1C#N)c1ccccc1 |r| Show InChI InChI=1S/C16H14ClFN2O/c17-13-9-16(12(10-20)8-14(13)18)21-15(6-7-19)11-4-2-1-3-5-11/h1-5,8-9,15H,6-7,19H2/t15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Charnwood Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 21: 2468-71 (2011) Article DOI: 10.1016/j.bmcl.2011.02.061 BindingDB Entry DOI: 10.7270/Q29G5N4S
					More data for this Ligand-Target Pair

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