Compile Data Set for Download or QSAR

Found 60 hits with Last Name = 'stuehr' and Initial = 'dj'   

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 (Mus musculus (mouse))	BDBM50077250 ((2S)-2-amino-5-{[(1Z)-(hydroxyamino)(methylthio)me...) Show SMILES CSC(NO)=NCCC[C@H](N)C(O)=O |w:5.5| Show InChI InChI=1S/C7H15N3O3S/c1-14-7(10-13)9-4-2-3-5(8)6(11)12/h5,13H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against mouse inducible nitric oxide synthase (iNOS)				J Med Chem 42: 1842-8 (1999) Article DOI: 10.1021/jm980232x BindingDB Entry DOI: 10.7270/Q26D5S6Q
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50077251 ((2S)-2-amino-5-{[(1Z)-hydrazino(methylthio)methyle...) Show SMILES CSC(NCCC[C@H](N)C(O)=O)=NN |w:12.12| Show InChI InChI=1S/C7H16N4O2S/c1-14-7(11-9)10-4-2-3-5(8)6(12)13/h5H,2-4,8-9H2,1H3,(H,10,11)(H,12,13)/t5-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against mouse inducible nitric oxide synthase (iNOS)				J Med Chem 42: 1842-8 (1999) Article DOI: 10.1021/jm980232x BindingDB Entry DOI: 10.7270/Q26D5S6Q
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50077252 ((2S)-2-amino-5-[(hydrazinocarbonothioyl)amino]pent...) Show SMILES NNC(=S)NCCC[C@H](N)C(O)=O Show InChI InChI=1S/C6H14N4O2S/c7-4(5(11)12)2-1-3-9-6(13)10-8/h4H,1-3,7-8H2,(H,11,12)(H2,9,10,13)/t4-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.02E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against mouse inducible nitric oxide synthase (iNOS)				J Med Chem 42: 1842-8 (1999) Article DOI: 10.1021/jm980232x BindingDB Entry DOI: 10.7270/Q26D5S6Q
					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)
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
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))	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))	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, 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))	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, 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, 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, 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
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))	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))	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
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
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
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50148162 (4-(4-Methyl-pyridin-2-ylamino)-piperidine-1-carbox...) Show SMILES CCOC(=O)N1CCC(CC1)Nc1cc(C)ccn1 Show InChI InChI=1S/C14H21N3O2/c1-3-19-14(18)17-8-5-12(6-9-17)16-13-10-11(2)4-7-15-13/h4,7,10,12H,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 DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	350	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))	BDBM36403 ((3R)-3-(1,2,3,4-Tetrahydroisoquinolin-7-yloxymethy...) Show SMILES NC1=N[C@H](COc2ccc3CCNCc3c2)COc2ccsc12 |t:1| Show InChI InChI=1S/C17H19N3O2S/c18-17-16-15(4-6-23-16)22-10-13(20-17)9-21-14-2-1-11-3-5-19-8-12(11)7-14/h1-2,4,6-7,13,19H,3,5,8-10H2,(H2,18,20)/t13-/m1/s1	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	400	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))	BDBM36400 (CID24894151 | Ethyl 4-[(4-chloropyridin-2-yl)amino...) Show SMILES CCOC(=O)N1CCC(CC1)Nc1cc(Cl)ccn1 Show InChI InChI=1S/C13H18ClN3O2/c1-2-19-13(18)17-7-4-11(5-8-17)16-12-9-10(14)3-6-15-12/h3,6,9,11H,2,4-5,7-8H2,1H3,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	720	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))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	790	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))	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	790	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))	BDBM36403 ((3R)-3-(1,2,3,4-Tetrahydroisoquinolin-7-yloxymethy...) Show SMILES NC1=N[C@H](COc2ccc3CCNCc3c2)COc2ccsc12 |t:1| Show InChI InChI=1S/C17H19N3O2S/c18-17-16-15(4-6-23-16)22-10-13(20-17)9-21-14-2-1-11-3-5-19-8-12(11)7-14/h1-2,4,6-7,13,19H,3,5,8-10H2,(H2,18,20)/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	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))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	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))	BDBM36398 (4-(4'-Amino-1'-ethyl-5'-fluorospiro[pi...) Show SMILES CCN1c2cccc(F)c2C(N)=NC11CCN(CC1)C(=O)c1ccc(cc1)C#N |c:12| Show InChI InChI=1S/C22H22FN5O/c1-2-28-18-5-3-4-17(23)19(18)20(25)26-22(28)10-12-27(13-11-22)21(29)16-8-6-15(14-24)7-9-16/h3-9H,2,10-13H2,1H3,(H2,25,26)	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	1.20E+3	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, endothelial (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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.50E+3	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))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3.10E+3	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, endothelial (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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	4.90E+3	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))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.00E+3	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))	BDBM50077250 ((2S)-2-amino-5-{[(1Z)-(hydroxyamino)(methylthio)me...) Show SMILES CSC(NO)=NCCC[C@H](N)C(O)=O |w:5.5| Show InChI InChI=1S/C7H15N3O3S/c1-14-7(10-13)9-4-2-3-5(8)6(11)12/h5,13H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against mamalian Neuronal nitric oxide synthase (nNOS)				J Med Chem 42: 1842-8 (1999) Article DOI: 10.1021/jm980232x BindingDB Entry DOI: 10.7270/Q26D5S6Q
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	7.40E+3	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))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>7.80E+3	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 (Mus musculus (mouse))	BDBM50077250 ((2S)-2-amino-5-{[(1Z)-(hydroxyamino)(methylthio)me...) Show SMILES CSC(NO)=NCCC[C@H](N)C(O)=O |w:5.5| Show InChI InChI=1S/C7H15N3O3S/c1-14-7(10-13)9-4-2-3-5(8)6(11)12/h5,13H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against mouse inducible nitric oxide synthase (iNOS)				J Med Chem 42: 1842-8 (1999) Article DOI: 10.1021/jm980232x BindingDB Entry DOI: 10.7270/Q26D5S6Q
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50077250 ((2S)-2-amino-5-{[(1Z)-(hydroxyamino)(methylthio)me...) Show SMILES CSC(NO)=NCCC[C@H](N)C(O)=O |w:5.5| Show InChI InChI=1S/C7H15N3O3S/c1-14-7(10-13)9-4-2-3-5(8)6(11)12/h5,13H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.97E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against mamalian endothelial nitric oxide synthase (eNOS)				J Med Chem 42: 1842-8 (1999) Article DOI: 10.1021/jm980232x BindingDB Entry DOI: 10.7270/Q26D5S6Q
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50148162 (4-(4-Methyl-pyridin-2-ylamino)-piperidine-1-carbox...) Show SMILES CCOC(=O)N1CCC(CC1)Nc1cc(C)ccn1 Show InChI InChI=1S/C14H21N3O2/c1-3-19-14(18)17-8-5-12(6-9-17)16-13-10-11(2)4-7-15-13/h4,7,10,12H,3,5-6,8-9H2,1-2H3,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	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))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+4	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, endothelial (Homo sapiens (Human))	BDBM36403 ((3R)-3-(1,2,3,4-Tetrahydroisoquinolin-7-yloxymethy...) Show SMILES NC1=N[C@H](COc2ccc3CCNCc3c2)COc2ccsc12 |t:1| Show InChI InChI=1S/C17H19N3O2S/c18-17-16-15(4-6-23-16)22-10-13(20-17)9-21-14-2-1-11-3-5-19-8-12(11)7-14/h1-2,4,6-7,13,19H,3,5,8-10H2,(H2,18,20)/t13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5.00E+4	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, endothelial (Homo sapiens (Human))	BDBM50148162 (4-(4-Methyl-pyridin-2-ylamino)-piperidine-1-carbox...) Show SMILES CCOC(=O)N1CCC(CC1)Nc1cc(C)ccn1 Show InChI InChI=1S/C14H21N3O2/c1-3-19-14(18)17-8-5-12(6-9-17)16-13-10-11(2)4-7-15-13/h4,7,10,12H,3,5-6,8-9H2,1-2H3,(H,15,16)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	5.80E+4	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))	BDBM36400 (CID24894151 | Ethyl 4-[(4-chloropyridin-2-yl)amino...) Show SMILES CCOC(=O)N1CCC(CC1)Nc1cc(Cl)ccn1 Show InChI InChI=1S/C13H18ClN3O2/c1-2-19-13(18)17-7-4-11(5-8-17)16-12-9-10(14)3-6-15-12/h3,6,9,11H,2,4-5,7-8H2,1H3,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	6.30E+4	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, endothelial (Homo sapiens (Human))	BDBM36398 (4-(4'-Amino-1'-ethyl-5'-fluorospiro[pi...) Show SMILES CCN1c2cccc(F)c2C(N)=NC11CCN(CC1)C(=O)c1ccc(cc1)C#N |c:12| Show InChI InChI=1S/C22H22FN5O/c1-2-28-18-5-3-4-17(23)19(18)20(25)26-22(28)10-12-27(13-11-22)21(29)16-8-6-15(14-24)7-9-16/h3-9H,2,10-13H2,1H3,(H2,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	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))	BDBM36398 (4-(4'-Amino-1'-ethyl-5'-fluorospiro[pi...) Show SMILES CCN1c2cccc(F)c2C(N)=NC11CCN(CC1)C(=O)c1ccc(cc1)C#N |c:12| Show InChI InChI=1S/C22H22FN5O/c1-2-28-18-5-3-4-17(23)19(18)20(25)26-22(28)10-12-27(13-11-22)21(29)16-8-6-15(14-24)7-9-16/h3-9H,2,10-13H2,1H3,(H2,25,26)	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	1.00E+5	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, endothelial (Homo sapiens (Human))	BDBM36400 (CID24894151 | Ethyl 4-[(4-chloropyridin-2-yl)amino...) Show SMILES CCOC(=O)N1CCC(CC1)Nc1cc(Cl)ccn1 Show InChI InChI=1S/C13H18ClN3O2/c1-2-19-13(18)17-7-4-11(5-8-17)16-12-9-10(14)3-6-15-12/h3,6,9,11H,2,4-5,7-8H2,1H3,(H,15,16)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	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, endothelial (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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	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, endothelial (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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+5	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, endothelial (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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	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

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