Compile Data Set for Download or QSAR

Found 96 hits Enz. Inhib. hit(s) with all data for entry = 50028073   

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, brain (Rattus norvegicus (rat))	BDBM50255365 ((+/-)-cis-N1-((3S,4S)-4-((6-amino-4-methylpyridin-...) Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCNCCc2cccc(F)c2)c1 |r| Show InChI InChI=1S/C21H30FN5/c1-15-9-19(27-21(23)10-15)12-17-13-25-14-20(17)26-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-26H,5-8,12-14H2,1H3,(H2,23,27)/t17-,20+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of rat recombinant nNOS expressed in Escherichia coli by hemoglobin capture assay				J Med Chem 52: 779-97 (2009) Article DOI: 10.1021/jm801220a BindingDB Entry DOI: 10.7270/Q27D2V01
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50255363 (CHEMBL517995 | N1-{(+/-)-4'-[(6''-amino-4''-methyl...) Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCNCCc2ccccc2)c1 |r| Show InChI InChI=1S/C21H31N5/c1-16-11-19(26-21(22)12-16)13-18-14-24-15-20(18)25-10-9-23-8-7-17-5-3-2-4-6-17/h2-6,11-12,18,20,23-25H,7-10,13-15H2,1H3,(H2,22,26)/t18-,20+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of rat recombinant nNOS expressed in Escherichia coli by hemoglobin capture assay				J Med Chem 52: 779-97 (2009) Article DOI: 10.1021/jm801220a BindingDB Entry DOI: 10.7270/Q27D2V01
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50255364 (CHEMBL480418 | N1-{(+/-)-4'-[(6''-amino-4''-methyl...) Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCNCCc2ccc(F)cc2)c1 |r| Show InChI InChI=1S/C21H30FN5/c1-15-10-19(27-21(23)11-15)12-17-13-25-14-20(17)26-9-8-24-7-6-16-2-4-18(22)5-3-16/h2-5,10-11,17,20,24-26H,6-9,12-14H2,1H3,(H2,23,27)/t17-,20+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of rat recombinant nNOS expressed in Escherichia coli by hemoglobin capture assay				J Med Chem 52: 779-97 (2009) Article DOI: 10.1021/jm801220a BindingDB Entry DOI: 10.7270/Q27D2V01
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50255305 ((S)-1-(4-amino-5-(2-(2-aminoethyl)phenylamino)pent...) Show SMILES NCCc1ccccc1NC[C@@H](N)CCCN=C(N)N[N+]([O-])=O |r,w:16.16| Show InChI InChI=1S/C14H25N7O2/c15-8-7-11-4-1-2-6-13(11)19-10-12(16)5-3-9-18-14(17)20-21(22)23/h1-2,4,6,12,19H,3,5,7-10,15-16H2,(H3,17,18,20)/t12-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of rat recombinant nNOS expressed in Escherichia coli by hemoglobin capture assay				J Med Chem 52: 779-97 (2009) Article DOI: 10.1021/jm801220a BindingDB Entry DOI: 10.7270/Q27D2V01
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM29234 (CHEMBL481815 | US9090589, 6 | aminopyridine-pyrrol...) Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCNCc2ccc(Cl)cc2)c1 |r| Show InChI InChI=1S/C20H28ClN5/c1-14-8-18(26-20(22)9-14)10-16-12-24-13-19(16)25-7-6-23-11-15-2-4-17(21)5-3-15/h2-5,8-9,16,19,23-25H,6-7,10-13H2,1H3,(H2,22,26)/t16-,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of rat recombinant nNOS expressed in Escherichia coli by hemoglobin capture assay				J Med Chem 52: 779-97 (2009) Article DOI: 10.1021/jm801220a BindingDB Entry DOI: 10.7270/Q27D2V01
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50255303 ((S)-N-((3R,4S)-4-acetylpyrrolidin-3-yl)-2-amino-5-...) Show SMILES CC(=O)[C@H]1CNC[C@@H]1NC(=O)[C@@H](N)CCCN=C(N)N[N+]([O-])=O |r,w:16.16| Show InChI InChI=1S/C12H23N7O4/c1-7(20)8-5-15-6-10(8)17-11(21)9(13)3-2-4-16-12(14)18-19(22)23/h8-10,15H,2-6,13H2,1H3,(H,17,21)(H3,14,16,18)/t8-,9+,10+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	87	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of rat recombinant nNOS expressed in Escherichia coli by hemoglobin capture assay				J Med Chem 52: 779-97 (2009) Article DOI: 10.1021/jm801220a BindingDB Entry DOI: 10.7270/Q27D2V01
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50255194 (CHEMBL481465 | N1-{(+/-)-4'-[(6''-amino-4''-methyl...) Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCN)c1 |r| Show InChI InChI=1S/C13H23N5/c1-9-4-11(18-13(15)5-9)6-10-7-16-8-12(10)17-3-2-14/h4-5,10,12,16-17H,2-3,6-8,14H2,1H3,(H2,15,18)/t10-,12+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of rat recombinant nNOS expressed in Escherichia coli by hemoglobin capture assay				J Med Chem 52: 779-97 (2009) Article DOI: 10.1021/jm801220a BindingDB Entry DOI: 10.7270/Q27D2V01
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50255302 ((S)-N-((3R,5S)-5-acetylpyrrolidin-3-yl)-2-amino-5-...) Show SMILES CC(=O)[C@@H]1C[C@H](CN1)NC(=O)[C@@H](N)CCCN=C(N)N[N+]([O-])=O |r,w:16.16| Show InChI InChI=1S/C12H23N7O4/c1-7(20)10-5-8(6-16-10)17-11(21)9(13)3-2-4-15-12(14)18-19(22)23/h8-10,16H,2-6,13H2,1H3,(H,17,21)(H3,14,15,18)/t8-,9+,10+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of rat recombinant nNOS expressed in Escherichia coli by hemoglobin capture assay				J Med Chem 52: 779-97 (2009) Article DOI: 10.1021/jm801220a BindingDB Entry DOI: 10.7270/Q27D2V01
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50255304 ((S)-1-(4-amino-5-(2-aminoethylamino)pentyl)-3-nitr...) Show SMILES NCCNC[C@@H](N)CCCN=C(N)N[N+]([O-])=O |r,w:10.9| Show InChI InChI=1S/C8H21N7O2/c9-3-5-12-6-7(10)2-1-4-13-8(11)14-15(16)17/h7,12H,1-6,9-10H2,(H3,11,13,14)/t7-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of rat recombinant nNOS expressed in Escherichia coli by hemoglobin capture assay				J Med Chem 52: 779-97 (2009) Article DOI: 10.1021/jm801220a BindingDB Entry DOI: 10.7270/Q27D2V01
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50255307 (CHEMBL480254 | N1-{(+/-)-4'-[(6''-amino-4''-methyl...) Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCNCc2cccc(Cl)c2)c1 |r| Show InChI InChI=1S/C20H28ClN5/c1-14-7-18(26-20(22)8-14)10-16-12-24-13-19(16)25-6-5-23-11-15-3-2-4-17(21)9-15/h2-4,7-9,16,19,23-25H,5-6,10-13H2,1H3,(H2,22,26)/t16-,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	104	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of rat recombinant nNOS expressed in Escherichia coli by hemoglobin capture assay				J Med Chem 52: 779-97 (2009) Article DOI: 10.1021/jm801220a BindingDB Entry DOI: 10.7270/Q27D2V01
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50255362 (CHEMBL479667 | N1-{(+/-)-4'-[(6''-amino-4''-methyl...) Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCNCc2ccc(Cl)cc2Cl)c1 |r| Show InChI InChI=1S/C20H27Cl2N5/c1-13-6-17(27-20(23)7-13)8-15-11-25-12-19(15)26-5-4-24-10-14-2-3-16(21)9-18(14)22/h2-3,6-7,9,15,19,24-26H,4-5,8,10-12H2,1H3,(H2,23,27)/t15-,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of rat recombinant nNOS expressed in Escherichia coli by hemoglobin capture assay				J Med Chem 52: 779-97 (2009) Article DOI: 10.1021/jm801220a BindingDB Entry DOI: 10.7270/Q27D2V01
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM22030 ((2S)-2-amino-N-[(1S)-3-amino-1-(aminocarbonyl)prop...) Show SMILES NCC[C@H](NC(=O)[C@@H](N)CCCN=C(N)N[N+]([O-])=O)C(N)=O |r,w:12.11| Show InChI InChI=1S/C10H22N8O4/c11-4-3-7(8(13)19)16-9(20)6(12)2-1-5-15-10(14)17-18(21)22/h6-7H,1-5,11-12H2,(H2,13,19)(H,16,20)(H3,14,15,17)/t6-,7-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of rat recombinant nNOS expressed in Escherichia coli by hemoglobin capture assay				J Med Chem 52: 779-97 (2009) Article DOI: 10.1021/jm801220a BindingDB Entry DOI: 10.7270/Q27D2V01
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50255153 ((S)-N1-{(+/-)-4'-[(6''-amino-4''-methylpyridin-2''...) Show SMILES C[C@@H](CN[C@@H]1CNC[C@@H]1Cc1cc(C)cc(N)n1)NCc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C21H30ClN5/c1-14-7-19(27-21(23)8-14)9-17-12-24-13-20(17)26-10-15(2)25-11-16-3-5-18(22)6-4-16/h3-8,15,17,20,24-26H,9-13H2,1-2H3,(H2,23,27)/t15-,17-,20+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	136	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of rat recombinant nNOS expressed in Escherichia coli by hemoglobin capture assay				J Med Chem 52: 779-97 (2009) Article DOI: 10.1021/jm801220a BindingDB Entry DOI: 10.7270/Q27D2V01
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50255309 (CHEMBL480256 | N1-{(+/-)-4'-[(6''-amino-4''-methyl...) Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCNCc2ccc(F)cc2)c1 |r| Show InChI InChI=1S/C20H28FN5/c1-14-8-18(26-20(22)9-14)10-16-12-24-13-19(16)25-7-6-23-11-15-2-4-17(21)5-3-15/h2-5,8-9,16,19,23-25H,6-7,10-13H2,1H3,(H2,22,26)/t16-,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	144	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of rat recombinant nNOS expressed in Escherichia coli by hemoglobin capture assay				J Med Chem 52: 779-97 (2009) Article DOI: 10.1021/jm801220a BindingDB Entry DOI: 10.7270/Q27D2V01
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50255361 (CHEMBL479666 | N1-{(+/-)-4'-[(6''-amino-4''-methyl...) Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCNCc2ccc(Cl)c(Cl)c2)c1 |r| Show InChI InChI=1S/C20H27Cl2N5/c1-13-6-16(27-20(23)7-13)9-15-11-25-12-19(15)26-5-4-24-10-14-2-3-17(21)18(22)8-14/h2-3,6-8,15,19,24-26H,4-5,9-12H2,1H3,(H2,23,27)/t15-,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	157	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of rat recombinant nNOS expressed in Escherichia coli by hemoglobin capture assay				J Med Chem 52: 779-97 (2009) Article DOI: 10.1021/jm801220a BindingDB Entry DOI: 10.7270/Q27D2V01
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50255311 (CHEMBL479469 | N1-{(+/-)-4'-[(6''-amino-4''-methyl...) Show SMILES Cc1cccc(CNCCN[C@@H]2CNC[C@@H]2Cc2cc(C)cc(N)n2)c1 |r| Show InChI InChI=1S/C21H31N5/c1-15-4-3-5-17(8-15)12-23-6-7-25-20-14-24-13-18(20)11-19-9-16(2)10-21(22)26-19/h3-5,8-10,18,20,23-25H,6-7,11-14H2,1-2H3,(H2,22,26)/t18-,20+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	159	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of rat recombinant nNOS expressed in Escherichia coli by hemoglobin capture assay				J Med Chem 52: 779-97 (2009) Article DOI: 10.1021/jm801220a BindingDB Entry DOI: 10.7270/Q27D2V01
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50255308 (CHEMBL480255 | N1-{(+/-)-4'-[(6''-amino-4''-methyl...) Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCNCc2ccc(cc2)C(F)(F)F)c1 |r| Show InChI InChI=1S/C21H28F3N5/c1-14-8-18(29-20(25)9-14)10-16-12-27-13-19(16)28-7-6-26-11-15-2-4-17(5-3-15)21(22,23)24/h2-5,8-9,16,19,26-28H,6-7,10-13H2,1H3,(H2,25,29)/t16-,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	197	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of rat recombinant nNOS expressed in Escherichia coli by hemoglobin capture assay				J Med Chem 52: 779-97 (2009) Article DOI: 10.1021/jm801220a BindingDB Entry DOI: 10.7270/Q27D2V01
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50255310 (CHEMBL479280 | N1-{(+/-)-4'-[(6''-amino-4''-methyl...) Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCNCc2cccc(c2)C(F)(F)F)c1 |r| Show InChI InChI=1S/C21H28F3N5/c1-14-7-18(29-20(25)8-14)10-16-12-27-13-19(16)28-6-5-26-11-15-3-2-4-17(9-15)21(22,23)24/h2-4,7-9,16,19,26-28H,5-6,10-13H2,1H3,(H2,25,29)/t16-,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	206	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of rat recombinant nNOS expressed in Escherichia coli by hemoglobin capture assay				J Med Chem 52: 779-97 (2009) Article DOI: 10.1021/jm801220a BindingDB Entry DOI: 10.7270/Q27D2V01
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50255196 (CHEMBL481816 | N1-{(+/-)-4'-[(6''-amino-4''-methyl...) Show SMILES CN(CCNCCc1cccc(F)c1)[C@@H]1CNC[C@@H]1Cc1cc(C)cc(N)n1 |r| Show InChI InChI=1S/C22H32FN5/c1-16-10-20(27-22(24)11-16)13-18-14-26-15-21(18)28(2)9-8-25-7-6-17-4-3-5-19(23)12-17/h3-5,10-12,18,21,25-26H,6-9,13-15H2,1-2H3,(H2,24,27)/t18-,21+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	326	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of rat recombinant nNOS expressed in Escherichia coli by hemoglobin capture assay				J Med Chem 52: 779-97 (2009) Article DOI: 10.1021/jm801220a BindingDB Entry DOI: 10.7270/Q27D2V01
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM29233 (CHEMBL508014 | aminopyridine-pyrrolidine, 5) Show SMILES NCCN[C@@H]1CNC[C@@H]1Cc1cccc(N)n1 |r| Show InChI InChI=1S/C12H21N5/c13-4-5-16-11-8-15-7-9(11)6-10-2-1-3-12(14)17-10/h1-3,9,11,15-16H,4-8,13H2,(H2,14,17)/t9-,11+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	388	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of rat recombinant nNOS expressed in Escherichia coli by hemoglobin capture assay				J Med Chem 52: 779-97 (2009) Article DOI: 10.1021/jm801220a BindingDB Entry DOI: 10.7270/Q27D2V01
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50255154 (CHEMBL1277694 | CHEMBL516764 | N1-{(+/-)-4'-[(6''-...) Show SMILES CN(CCNCc1ccc(Cl)cc1)[C@@H]1CNC[C@@H]1Cc1cc(C)cc(N)n1 |r| Show InChI InChI=1S/C21H30ClN5/c1-15-9-19(26-21(23)10-15)11-17-13-25-14-20(17)27(2)8-7-24-12-16-3-5-18(22)6-4-16/h3-6,9-10,17,20,24-25H,7-8,11-14H2,1-2H3,(H2,23,26)/t17-,20+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	393	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of rat recombinant nNOS expressed in Escherichia coli by hemoglobin capture assay				J Med Chem 52: 779-97 (2009) Article DOI: 10.1021/jm801220a BindingDB Entry DOI: 10.7270/Q27D2V01
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50255152 (CHEMBL520099 | N1-(((+/-)-4'-[(2''-Amino-6''-methy...) Show SMILES Cc1cc(C[C@H]2CNC[C@H]2NCCNCCc2cccc(F)c2)cc(N)n1 |r| Show InChI InChI=1S/C21H30FN5/c1-15-9-17(12-21(23)27-15)10-18-13-25-14-20(18)26-8-7-24-6-5-16-3-2-4-19(22)11-16/h2-4,9,11-12,18,20,24-26H,5-8,10,13-14H2,1H3,(H2,23,27)/t18-,20+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	551	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of rat recombinant nNOS expressed in Escherichia coli by hemoglobin capture assay				J Med Chem 52: 779-97 (2009) Article DOI: 10.1021/jm801220a BindingDB Entry DOI: 10.7270/Q27D2V01
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50255147 (CHEMBL519789 | N1-((+/-)-4'-[(6''-Aminopyridin-2''...) Show SMILES Nc1cccc(C[C@H]2CNC[C@H]2NCCNCc2ccccc2)n1 |r| Show InChI InChI=1S/C19H27N5/c20-19-8-4-7-17(24-19)11-16-13-22-14-18(16)23-10-9-21-12-15-5-2-1-3-6-15/h1-8,16,18,21-23H,9-14H2,(H2,20,24)/t16-,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.18E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of rat recombinant nNOS expressed in Escherichia coli by hemoglobin capture assay				J Med Chem 52: 779-97 (2009) Article DOI: 10.1021/jm801220a BindingDB Entry DOI: 10.7270/Q27D2V01
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50255197 (CHEMBL520772 | N1-{(+/-)-4'-[(6''-amino-4''-methyl...) Show SMILES CN(CCN(C)[C@@H]1CNC[C@@H]1Cc1cc(C)cc(N)n1)CCc1cccc(F)c1 |r| Show InChI InChI=1S/C23H34FN5/c1-17-11-21(27-23(25)12-17)14-19-15-26-16-22(19)29(3)10-9-28(2)8-7-18-5-4-6-20(24)13-18/h4-6,11-13,19,22,26H,7-10,14-16H2,1-3H3,(H2,25,27)/t19-,22+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.21E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of rat recombinant nNOS expressed in Escherichia coli by hemoglobin capture assay				J Med Chem 52: 779-97 (2009) Article DOI: 10.1021/jm801220a BindingDB Entry DOI: 10.7270/Q27D2V01
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50255191 (6-{[(+/-)-4'-((S)-pyrrolidin-3''-ylamino)pyrrolidi...) Show SMILES Nc1cccc(C[C@H]2CNC[C@H]2N[C@H]2CCNC2)n1 |r| Show InChI InChI=1S/C14H23N5/c15-14-3-1-2-11(19-14)6-10-7-17-9-13(10)18-12-4-5-16-8-12/h1-3,10,12-13,16-18H,4-9H2,(H2,15,19)/t10-,12-,13+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of rat recombinant nNOS expressed in Escherichia coli by hemoglobin capture assay				J Med Chem 52: 779-97 (2009) Article DOI: 10.1021/jm801220a BindingDB Entry DOI: 10.7270/Q27D2V01
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50255190 (6-{[(+/-)-4'-((R)-pyrrolidin-3''-ylamino)pyrrolidi...) Show SMILES Nc1cccc(C[C@H]2CNC[C@H]2N[C@@H]2CCNC2)n1 |r| Show InChI InChI=1S/C14H23N5/c15-14-3-1-2-11(19-14)6-10-7-17-9-13(10)18-12-4-5-16-8-12/h1-3,10,12-13,16-18H,4-9H2,(H2,15,19)/t10-,12+,13+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.36E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of rat recombinant nNOS expressed in Escherichia coli by hemoglobin capture assay				J Med Chem 52: 779-97 (2009) Article DOI: 10.1021/jm801220a BindingDB Entry DOI: 10.7270/Q27D2V01
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50255149 ((S)-N1-{(+/-)-4-[(6'-aminopyridin-2'-yl)methyl]pyr...) Show SMILES N[C@H](CN[C@@H]1CNC[C@@H]1Cc1cccc(N)n1)Cc1ccccc1 |r| Show InChI InChI=1S/C19H27N5/c20-16(9-14-5-2-1-3-6-14)12-23-18-13-22-11-15(18)10-17-7-4-8-19(21)24-17/h1-8,15-16,18,22-23H,9-13,20H2,(H2,21,24)/t15-,16-,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of rat recombinant nNOS expressed in Escherichia coli by hemoglobin capture assay				J Med Chem 52: 779-97 (2009) Article DOI: 10.1021/jm801220a BindingDB Entry DOI: 10.7270/Q27D2V01
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50255148 ((R)-N1-{(+/-)-4-[(6'-aminopyridin-2'-yl)methyl]pyr...) Show SMILES N[C@@H](CN[C@@H]1CNC[C@@H]1Cc1cccc(N)n1)Cc1ccccc1 |r| Show InChI InChI=1S/C19H27N5/c20-16(9-14-5-2-1-3-6-14)12-23-18-13-22-11-15(18)10-17-7-4-8-19(21)24-17/h1-8,15-16,18,22-23H,9-13,20H2,(H2,21,24)/t15-,16+,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.42E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of rat recombinant nNOS expressed in Escherichia coli by hemoglobin capture assay				J Med Chem 52: 779-97 (2009) Article DOI: 10.1021/jm801220a BindingDB Entry DOI: 10.7270/Q27D2V01
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50255192 (6-{[(+/-)-4'-((R)-1-benzylpyrrolidin-3''-ylamino)p...) Show SMILES Nc1cccc(C[C@H]2CNC[C@H]2N[C@@H]2CCN(Cc3ccccc3)C2)n1 |r| Show InChI InChI=1S/C21H29N5/c22-21-8-4-7-18(25-21)11-17-12-23-13-20(17)24-19-9-10-26(15-19)14-16-5-2-1-3-6-16/h1-8,17,19-20,23-24H,9-15H2,(H2,22,25)/t17-,19+,20+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.74E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of rat recombinant nNOS expressed in Escherichia coli by hemoglobin capture assay				J Med Chem 52: 779-97 (2009) Article DOI: 10.1021/jm801220a BindingDB Entry DOI: 10.7270/Q27D2V01
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50255150 (CHEMBL521254 | N1-{(+/-)-4-[(6-aminopyridin-2-yl)m...) Show SMILES CN(C)CCN[C@@H]1CNC[C@@H]1Cc1cccc(N)n1 |r| Show InChI InChI=1S/C14H25N5/c1-19(2)7-6-17-13-10-16-9-11(13)8-12-4-3-5-14(15)18-12/h3-5,11,13,16-17H,6-10H2,1-2H3,(H2,15,18)/t11-,13+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.33E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of rat recombinant nNOS expressed in Escherichia coli by hemoglobin capture assay				J Med Chem 52: 779-97 (2009) Article DOI: 10.1021/jm801220a BindingDB Entry DOI: 10.7270/Q27D2V01
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50255193 (6-{[(+/-)-4'-((S)-1-benzylpyrrolidin-3''-ylamino)p...) Show SMILES Nc1cccc(C[C@H]2CNC[C@H]2N[C@H]2CCN(Cc3ccccc3)C2)n1 |r| Show InChI InChI=1S/C21H29N5/c22-21-8-4-7-18(25-21)11-17-12-23-13-20(17)24-19-9-10-26(15-19)14-16-5-2-1-3-6-16/h1-8,17,19-20,23-24H,9-15H2,(H2,22,25)/t17-,19-,20+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.34E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of rat recombinant nNOS expressed in Escherichia coli by hemoglobin capture assay				J Med Chem 52: 779-97 (2009) Article DOI: 10.1021/jm801220a BindingDB Entry DOI: 10.7270/Q27D2V01
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50255305 ((S)-1-(4-amino-5-(2-(2-aminoethyl)phenylamino)pent...) Show SMILES NCCc1ccccc1NC[C@@H](N)CCCN=C(N)N[N+]([O-])=O |r,w:16.16| Show InChI InChI=1S/C14H25N7O2/c15-8-7-11-4-1-2-6-13(11)19-10-12(16)5-3-9-18-14(17)20-21(22)23/h1-2,4,6,12,19H,3,5,7-10,15-16H2,(H3,17,18,20)/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of mouse recombinant iNOS expressed in Escherichia coli by hemoglobin capture assay				J Med Chem 52: 779-97 (2009) Article DOI: 10.1021/jm801220a BindingDB Entry DOI: 10.7270/Q27D2V01
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50255361 (CHEMBL479666 | N1-{(+/-)-4'-[(6''-amino-4''-methyl...) Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCNCc2ccc(Cl)c(Cl)c2)c1 |r| Show InChI InChI=1S/C20H27Cl2N5/c1-13-6-16(27-20(23)7-13)9-15-11-25-12-19(15)26-5-4-24-10-14-2-3-17(21)18(22)8-14/h2-3,6-8,15,19,24-26H,4-5,9-12H2,1H3,(H2,23,27)/t15-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.56E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of mouse recombinant iNOS expressed in Escherichia coli by hemoglobin capture assay				J Med Chem 52: 779-97 (2009) Article DOI: 10.1021/jm801220a BindingDB Entry DOI: 10.7270/Q27D2V01
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50255365 ((+/-)-cis-N1-((3S,4S)-4-((6-amino-4-methylpyridin-...) Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCNCCc2cccc(F)c2)c1 |r| Show InChI InChI=1S/C21H30FN5/c1-15-9-19(27-21(23)10-15)12-17-13-25-14-20(17)26-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-26H,5-8,12-14H2,1H3,(H2,23,27)/t17-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.06E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of mouse recombinant iNOS expressed in Escherichia coli by hemoglobin capture assay				J Med Chem 52: 779-97 (2009) Article DOI: 10.1021/jm801220a BindingDB Entry DOI: 10.7270/Q27D2V01
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50255364 (CHEMBL480418 | N1-{(+/-)-4'-[(6''-amino-4''-methyl...) Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCNCCc2ccc(F)cc2)c1 |r| Show InChI InChI=1S/C21H30FN5/c1-15-10-19(27-21(23)11-15)12-17-13-25-14-20(17)26-9-8-24-7-6-16-2-4-18(22)5-3-16/h2-5,10-11,17,20,24-26H,6-9,12-14H2,1H3,(H2,23,27)/t17-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of mouse recombinant iNOS expressed in Escherichia coli by hemoglobin capture assay				J Med Chem 52: 779-97 (2009) Article DOI: 10.1021/jm801220a BindingDB Entry DOI: 10.7270/Q27D2V01
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50255363 (CHEMBL517995 | N1-{(+/-)-4'-[(6''-amino-4''-methyl...) Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCNCCc2ccccc2)c1 |r| Show InChI InChI=1S/C21H31N5/c1-16-11-19(26-21(22)12-16)13-18-14-24-15-20(18)25-10-9-23-8-7-17-5-3-2-4-6-17/h2-6,11-12,18,20,23-25H,7-10,13-15H2,1H3,(H2,22,26)/t18-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of mouse recombinant iNOS expressed in Escherichia coli by hemoglobin capture assay				J Med Chem 52: 779-97 (2009) Article DOI: 10.1021/jm801220a BindingDB Entry DOI: 10.7270/Q27D2V01
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50255303 ((S)-N-((3R,4S)-4-acetylpyrrolidin-3-yl)-2-amino-5-...) Show SMILES CC(=O)[C@H]1CNC[C@@H]1NC(=O)[C@@H](N)CCCN=C(N)N[N+]([O-])=O |r,w:16.16| Show InChI InChI=1S/C12H23N7O4/c1-7(20)8-5-15-6-10(8)17-11(21)9(13)3-2-4-16-12(14)18-19(22)23/h8-10,15H,2-6,13H2,1H3,(H,17,21)(H3,14,16,18)/t8-,9+,10+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.76E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of mouse recombinant iNOS expressed in Escherichia coli by hemoglobin capture assay				J Med Chem 52: 779-97 (2009) Article DOI: 10.1021/jm801220a BindingDB Entry DOI: 10.7270/Q27D2V01
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50255194 (CHEMBL481465 | N1-{(+/-)-4'-[(6''-amino-4''-methyl...) Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCN)c1 |r| Show InChI InChI=1S/C13H23N5/c1-9-4-11(18-13(15)5-9)6-10-7-16-8-12(10)17-3-2-14/h4-5,10,12,16-17H,2-3,6-8,14H2,1H3,(H2,15,18)/t10-,12+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.84E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of mouse recombinant iNOS expressed in Escherichia coli by hemoglobin capture assay				J Med Chem 52: 779-97 (2009) Article DOI: 10.1021/jm801220a BindingDB Entry DOI: 10.7270/Q27D2V01
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50255362 (CHEMBL479667 | N1-{(+/-)-4'-[(6''-amino-4''-methyl...) Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCNCc2ccc(Cl)cc2Cl)c1 |r| Show InChI InChI=1S/C20H27Cl2N5/c1-13-6-17(27-20(23)7-13)8-15-11-25-12-19(15)26-5-4-24-10-14-2-3-16(21)9-18(14)22/h2-3,6-7,9,15,19,24-26H,4-5,8,10-12H2,1H3,(H2,23,27)/t15-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of mouse recombinant iNOS expressed in Escherichia coli by hemoglobin capture assay				J Med Chem 52: 779-97 (2009) Article DOI: 10.1021/jm801220a BindingDB Entry DOI: 10.7270/Q27D2V01
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50255309 (CHEMBL480256 | N1-{(+/-)-4'-[(6''-amino-4''-methyl...) Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCNCc2ccc(F)cc2)c1 |r| Show InChI InChI=1S/C20H28FN5/c1-14-8-18(26-20(22)9-14)10-16-12-24-13-19(16)25-7-6-23-11-15-2-4-17(21)5-3-15/h2-5,8-9,16,19,23-25H,6-7,10-13H2,1H3,(H2,22,26)/t16-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.97E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of mouse recombinant iNOS expressed in Escherichia coli by hemoglobin capture assay				J Med Chem 52: 779-97 (2009) Article DOI: 10.1021/jm801220a BindingDB Entry DOI: 10.7270/Q27D2V01
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM29234 (CHEMBL481815 | US9090589, 6 | aminopyridine-pyrrol...) Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCNCc2ccc(Cl)cc2)c1 |r| Show InChI InChI=1S/C20H28ClN5/c1-14-8-18(26-20(22)9-14)10-16-12-24-13-19(16)25-7-6-23-11-15-2-4-17(21)5-3-15/h2-5,8-9,16,19,23-25H,6-7,10-13H2,1H3,(H2,22,26)/t16-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	8.95E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of mouse recombinant iNOS expressed in Escherichia coli by hemoglobin capture assay				J Med Chem 52: 779-97 (2009) Article DOI: 10.1021/jm801220a BindingDB Entry DOI: 10.7270/Q27D2V01
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50255311 (CHEMBL479469 | N1-{(+/-)-4'-[(6''-amino-4''-methyl...) Show SMILES Cc1cccc(CNCCN[C@@H]2CNC[C@@H]2Cc2cc(C)cc(N)n2)c1 |r| Show InChI InChI=1S/C21H31N5/c1-15-4-3-5-17(8-15)12-23-6-7-25-20-14-24-13-18(20)11-19-9-16(2)10-21(22)26-19/h3-5,8-10,18,20,23-25H,6-7,11-14H2,1-2H3,(H2,22,26)/t18-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of mouse recombinant iNOS expressed in Escherichia coli by hemoglobin capture assay				J Med Chem 52: 779-97 (2009) Article DOI: 10.1021/jm801220a BindingDB Entry DOI: 10.7270/Q27D2V01
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50255307 (CHEMBL480254 | N1-{(+/-)-4'-[(6''-amino-4''-methyl...) Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCNCc2cccc(Cl)c2)c1 |r| Show InChI InChI=1S/C20H28ClN5/c1-14-7-18(26-20(22)8-14)10-16-12-24-13-19(16)25-6-5-23-11-15-3-2-4-17(21)9-15/h2-4,7-9,16,19,23-25H,5-6,10-13H2,1H3,(H2,22,26)/t16-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.48E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of mouse recombinant iNOS expressed in Escherichia coli by hemoglobin capture assay				J Med Chem 52: 779-97 (2009) Article DOI: 10.1021/jm801220a BindingDB Entry DOI: 10.7270/Q27D2V01
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50255152 (CHEMBL520099 | N1-(((+/-)-4'-[(2''-Amino-6''-methy...) Show SMILES Cc1cc(C[C@H]2CNC[C@H]2NCCNCCc2cccc(F)c2)cc(N)n1 |r| Show InChI InChI=1S/C21H30FN5/c1-15-9-17(12-21(23)27-15)10-18-13-25-14-20(18)26-8-7-24-6-5-16-3-2-4-19(22)11-16/h2-4,9,11-12,18,20,24-26H,5-8,10,13-14H2,1H3,(H2,23,27)/t18-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.06E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of mouse recombinant iNOS expressed in Escherichia coli by hemoglobin capture assay				J Med Chem 52: 779-97 (2009) Article DOI: 10.1021/jm801220a BindingDB Entry DOI: 10.7270/Q27D2V01
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50255153 ((S)-N1-{(+/-)-4'-[(6''-amino-4''-methylpyridin-2''...) Show SMILES C[C@@H](CN[C@@H]1CNC[C@@H]1Cc1cc(C)cc(N)n1)NCc1ccc(Cl)cc1 |r| Show InChI InChI=1S/C21H30ClN5/c1-14-7-19(27-21(23)8-14)9-17-12-24-13-20(17)26-10-15(2)25-11-16-3-5-18(22)6-4-16/h3-8,15,17,20,24-26H,9-13H2,1-2H3,(H2,23,27)/t15-,17-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.22E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of mouse recombinant iNOS expressed in Escherichia coli by hemoglobin capture assay				J Med Chem 52: 779-97 (2009) Article DOI: 10.1021/jm801220a BindingDB Entry DOI: 10.7270/Q27D2V01
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50255310 (CHEMBL479280 | N1-{(+/-)-4'-[(6''-amino-4''-methyl...) Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCNCc2cccc(c2)C(F)(F)F)c1 |r| Show InChI InChI=1S/C21H28F3N5/c1-14-7-18(29-20(25)8-14)10-16-12-27-13-19(16)28-6-5-26-11-15-3-2-4-17(9-15)21(22,23)24/h2-4,7-9,16,19,26-28H,5-6,10-13H2,1H3,(H2,25,29)/t16-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.36E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of mouse recombinant iNOS expressed in Escherichia coli by hemoglobin capture assay				J Med Chem 52: 779-97 (2009) Article DOI: 10.1021/jm801220a BindingDB Entry DOI: 10.7270/Q27D2V01
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50255308 (CHEMBL480255 | N1-{(+/-)-4'-[(6''-amino-4''-methyl...) Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCNCc2ccc(cc2)C(F)(F)F)c1 |r| Show InChI InChI=1S/C21H28F3N5/c1-14-8-18(29-20(25)9-14)10-16-12-27-13-19(16)28-7-6-26-11-15-2-4-17(5-3-15)21(22,23)24/h2-5,8-9,16,19,26-28H,6-7,10-13H2,1H3,(H2,25,29)/t16-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.41E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of mouse recombinant iNOS expressed in Escherichia coli by hemoglobin capture assay				J Med Chem 52: 779-97 (2009) Article DOI: 10.1021/jm801220a BindingDB Entry DOI: 10.7270/Q27D2V01
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Bos taurus (bovine))	BDBM50255364 (CHEMBL480418 | N1-{(+/-)-4'-[(6''-amino-4''-methyl...) Show SMILES Cc1cc(N)nc(C[C@H]2CNC[C@H]2NCCNCCc2ccc(F)cc2)c1 |r| Show InChI InChI=1S/C21H30FN5/c1-15-10-19(27-21(23)11-15)12-17-13-25-14-20(17)26-9-8-24-7-6-16-2-4-18(22)5-3-16/h2-5,10-11,17,20,24-26H,6-9,12-14H2,1H3,(H2,23,27)/t17-,20+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of bovine recombinant eNOS expressed in Escherichia coli by hemoglobin capture assay				J Med Chem 52: 779-97 (2009) Article DOI: 10.1021/jm801220a BindingDB Entry DOI: 10.7270/Q27D2V01
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50255151 (CHEMBL481420 | N1-(((+/-)-4'-[(2''-Amino-6''-methy...) Show SMILES Cc1cc(C[C@H]2CNC[C@H]2NCCNCc2ccc(Cl)cc2)cc(N)n1 |r| Show InChI InChI=1S/C20H28ClN5/c1-14-8-16(10-20(22)26-14)9-17-12-24-13-19(17)25-7-6-23-11-15-2-4-18(21)5-3-15/h2-5,8,10,17,19,23-25H,6-7,9,11-13H2,1H3,(H2,22,26)/t17-,19+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.88E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of rat recombinant nNOS expressed in Escherichia coli by hemoglobin capture assay				J Med Chem 52: 779-97 (2009) Article DOI: 10.1021/jm801220a BindingDB Entry DOI: 10.7270/Q27D2V01
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50255154 (CHEMBL1277694 | CHEMBL516764 | N1-{(+/-)-4'-[(6''-...) Show SMILES CN(CCNCc1ccc(Cl)cc1)[C@@H]1CNC[C@@H]1Cc1cc(C)cc(N)n1 |r| Show InChI InChI=1S/C21H30ClN5/c1-15-9-19(26-21(23)10-15)11-17-13-25-14-20(17)27(2)8-7-24-12-16-3-5-18(22)6-4-16/h3-6,9-10,17,20,24-25H,7-8,11-14H2,1-2H3,(H2,23,26)/t17-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.28E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of mouse recombinant iNOS expressed in Escherichia coli by hemoglobin capture assay				J Med Chem 52: 779-97 (2009) Article DOI: 10.1021/jm801220a BindingDB Entry DOI: 10.7270/Q27D2V01
					More data for this Ligand-Target Pair

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