Compile Data Set for Download or QSAR

Found 78 hits Enz. Inhib. hit(s) with all data for entry = 50000967   

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))	BDBM50266590 (CHEMBL4066044) Show SMILES CNCc1cc(OCc2ccc3c(C)cc(N)nc3c2)ccc1Cl Show InChI InChI=1S/C19H20ClN3O/c1-12-7-19(21)23-18-8-13(3-5-16(12)18)11-24-15-4-6-17(20)14(9-15)10-22-2/h3-9,22H,10-11H2,1-2H3,(H2,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	28	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 recombinant rat nNOS expressed in Escherichia coli assessed as reduction in nitric oxide production using L-arginine as substrate measu...				J Med Chem 60: 3958-3978 (2017) Article DOI: 10.1021/acs.jmedchem.7b00259 BindingDB Entry DOI: 10.7270/Q2RV0R5D
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50266589 (CHEMBL4079543) Show SMILES CNCc1cc(OCc2ccc3c(C)cc(N)nc3c2)cc(c1)C#N Show InChI InChI=1S/C20H20N4O/c1-13-5-20(22)24-19-9-14(3-4-18(13)19)12-25-17-7-15(10-21)6-16(8-17)11-23-2/h3-9,23H,11-12H2,1-2H3,(H2,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	31	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 recombinant human full-length nNOS expressed in Escherichia coli BL21(DE3) assessed as reduction in nitric oxide production using L-arg...				J Med Chem 60: 3958-3978 (2017) Article DOI: 10.1021/acs.jmedchem.7b00259 BindingDB Entry DOI: 10.7270/Q2RV0R5D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50266603 (CHEMBL4078757) Show SMILES Cl.Cl.CNCc1cc(OCc2ccc3c(C)cc(N)nc3c2)cc(C#N)c1F Show InChI InChI=1S/C20H19FN4O/c1-12-5-19(23)25-18-6-13(3-4-17(12)18)11-26-16-7-14(9-22)20(21)15(8-16)10-24-2/h3-8,24H,10-11H2,1-2H3,(H2,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	32	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 recombinant rat nNOS expressed in Escherichia coli assessed as reduction in nitric oxide production using L-arginine as substrate measu...				J Med Chem 60: 3958-3978 (2017) Article DOI: 10.1021/acs.jmedchem.7b00259 BindingDB Entry DOI: 10.7270/Q2RV0R5D
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50266589 (CHEMBL4079543) Show SMILES CNCc1cc(OCc2ccc3c(C)cc(N)nc3c2)cc(c1)C#N Show InChI InChI=1S/C20H20N4O/c1-13-5-20(22)24-19-9-14(3-4-18(13)19)12-25-17-7-15(10-21)6-16(8-17)11-23-2/h3-9,23H,11-12H2,1-2H3,(H2,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	33	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 recombinant rat nNOS expressed in Escherichia coli assessed as reduction in nitric oxide production using L-arginine as substrate measu...				J Med Chem 60: 3958-3978 (2017) Article DOI: 10.1021/acs.jmedchem.7b00259 BindingDB Entry DOI: 10.7270/Q2RV0R5D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50266619 (CHEMBL4074659) Show SMILES Cl.Cl.CNCc1cccc(CCc2ccc3c(C)cc(N)nc3c2)c1 Show InChI InChI=1S/C20H23N3/c1-14-10-20(21)23-19-12-16(8-9-18(14)19)7-6-15-4-3-5-17(11-15)13-22-2/h3-5,8-12,22H,6-7,13H2,1-2H3,(H2,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	33	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 recombinant rat nNOS expressed in Escherichia coli assessed as reduction in nitric oxide production using L-arginine as substrate measu...				J Med Chem 60: 3958-3978 (2017) Article DOI: 10.1021/acs.jmedchem.7b00259 BindingDB Entry DOI: 10.7270/Q2RV0R5D
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50266608 (CHEMBL4086610) Show SMILES CNCc1cccc(OCc2ccc3c(C)cc(N)nc3c2)c1 Show InChI InChI=1S/C19H21N3O/c1-13-8-19(20)22-18-10-15(6-7-17(13)18)12-23-16-5-3-4-14(9-16)11-21-2/h3-10,21H,11-12H2,1-2H3,(H2,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	33	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 recombinant human full-length nNOS expressed in Escherichia coli BL21(DE3) assessed as reduction in nitric oxide production using L-arg...				J Med Chem 60: 3958-3978 (2017) Article DOI: 10.1021/acs.jmedchem.7b00259 BindingDB Entry DOI: 10.7270/Q2RV0R5D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50266587 (CHEMBL4096049) Show SMILES Cl.Cl.CNCc1cc(OCc2ccc3ccc(N)nc3c2)cc(c1)C#N Show InChI InChI=1S/C19H18N4O/c1-22-11-15-6-14(10-20)7-17(8-15)24-12-13-2-3-16-4-5-19(21)23-18(16)9-13/h2-9,22H,11-12H2,1H3,(H2,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	35	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 recombinant rat nNOS expressed in Escherichia coli assessed as reduction in nitric oxide production using L-arginine as substrate measu...				J Med Chem 60: 3958-3978 (2017) Article DOI: 10.1021/acs.jmedchem.7b00259 BindingDB Entry DOI: 10.7270/Q2RV0R5D
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50266587 (CHEMBL4096049) Show SMILES Cl.Cl.CNCc1cc(OCc2ccc3ccc(N)nc3c2)cc(c1)C#N Show InChI InChI=1S/C19H18N4O/c1-22-11-15-6-14(10-20)7-17(8-15)24-12-13-2-3-16-4-5-19(21)23-18(16)9-13/h2-9,22H,11-12H2,1H3,(H2,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	36	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 recombinant human full-length nNOS expressed in Escherichia coli BL21(DE3) assessed as reduction in nitric oxide production using L-arg...				J Med Chem 60: 3958-3978 (2017) Article DOI: 10.1021/acs.jmedchem.7b00259 BindingDB Entry DOI: 10.7270/Q2RV0R5D
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50266602 (CHEMBL4061701) Show SMILES Cl.Cl.CNCc1cc(CCc2ccc3c(C)cc(N)nc3c2)cc(c1)C#N Show InChI InChI=1S/C21H22N4/c1-14-7-21(23)25-20-11-15(5-6-19(14)20)3-4-16-8-17(12-22)10-18(9-16)13-24-2/h5-11,24H,3-4,13H2,1-2H3,(H2,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	36	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 recombinant rat nNOS expressed in Escherichia coli assessed as reduction in nitric oxide production using L-arginine as substrate measu...				J Med Chem 60: 3958-3978 (2017) Article DOI: 10.1021/acs.jmedchem.7b00259 BindingDB Entry DOI: 10.7270/Q2RV0R5D
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50266601 (CHEMBL4087425) Show SMILES CCc1cc(CNC)cc(OCc2ccc3c(C)cc(N)nc3c2)c1 Show InChI InChI=1S/C21H25N3O/c1-4-15-8-17(12-23-3)10-18(9-15)25-13-16-5-6-19-14(2)7-21(22)24-20(19)11-16/h5-11,23H,4,12-13H2,1-3H3,(H2,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	37	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 recombinant rat nNOS expressed in Escherichia coli assessed as reduction in nitric oxide production using L-arginine as substrate measu...				J Med Chem 60: 3958-3978 (2017) Article DOI: 10.1021/acs.jmedchem.7b00259 BindingDB Entry DOI: 10.7270/Q2RV0R5D
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50266608 (CHEMBL4086610) Show SMILES CNCc1cccc(OCc2ccc3c(C)cc(N)nc3c2)c1 Show InChI InChI=1S/C19H21N3O/c1-13-8-19(20)22-18-10-15(6-7-17(13)18)12-23-16-5-3-4-14(9-16)11-21-2/h3-10,21H,11-12H2,1-2H3,(H2,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	39	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 recombinant rat nNOS expressed in Escherichia coli assessed as reduction in nitric oxide production using L-arginine as substrate measu...				J Med Chem 60: 3958-3978 (2017) Article DOI: 10.1021/acs.jmedchem.7b00259 BindingDB Entry DOI: 10.7270/Q2RV0R5D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50266620 (CHEMBL4099944) Show SMILES CNCCc1cc(OCc2ccc3c(C)cc(N)nc3c2)cc(c1)C#N Show InChI InChI=1S/C21H22N4O/c1-14-7-21(23)25-20-11-16(3-4-19(14)20)13-26-18-9-15(5-6-24-2)8-17(10-18)12-22/h3-4,7-11,24H,5-6,13H2,1-2H3,(H2,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	42	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 recombinant rat nNOS expressed in Escherichia coli assessed as reduction in nitric oxide production using L-arginine as substrate measu...				J Med Chem 60: 3958-3978 (2017) Article DOI: 10.1021/acs.jmedchem.7b00259 BindingDB Entry DOI: 10.7270/Q2RV0R5D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50266622 (CHEMBL4105240) Show SMILES CN[C@@H](C)Cc1cc(OCc2ccc3c(C)cc(N)nc3c2)cc(c1)C#N |r| Show InChI InChI=1S/C22H24N4O/c1-14-6-22(24)26-21-11-16(4-5-20(14)21)13-27-19-9-17(7-15(2)25-3)8-18(10-19)12-23/h4-6,8-11,15,25H,7,13H2,1-3H3,(H2,24,26)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	46	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 recombinant human full-length nNOS expressed in Escherichia coli BL21(DE3) assessed as reduction in nitric oxide production using L-arg...				J Med Chem 60: 3958-3978 (2017) Article DOI: 10.1021/acs.jmedchem.7b00259 BindingDB Entry DOI: 10.7270/Q2RV0R5D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50449046 (CHEMBL3126215 | US9212144, 7 (Ex. 13)) Show SMILES Nc1ccc2ccc(CCNCCc3cccc(F)c3)cc2n1 Show InChI InChI=1S/C19H20FN3/c20-17-3-1-2-14(12-17)8-10-22-11-9-15-4-5-16-6-7-19(21)23-18(16)13-15/h1-7,12-13,22H,8-11H2,(H2,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	49	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 recombinant rat nNOS expressed in Escherichia coli assessed as reduction in nitric oxide production using L-arginine as substrate measu...				J Med Chem 60: 3958-3978 (2017) Article DOI: 10.1021/acs.jmedchem.7b00259 BindingDB Entry DOI: 10.7270/Q2RV0R5D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50266622 (CHEMBL4105240) Show SMILES CN[C@@H](C)Cc1cc(OCc2ccc3c(C)cc(N)nc3c2)cc(c1)C#N |r| Show InChI InChI=1S/C22H24N4O/c1-14-6-22(24)26-21-11-16(4-5-20(14)21)13-27-19-9-17(7-15(2)25-3)8-18(10-19)12-23/h4-6,8-11,15,25H,7,13H2,1-3H3,(H2,24,26)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB 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 recombinant rat nNOS expressed in Escherichia coli assessed as reduction in nitric oxide production using L-arginine as substrate measu...				J Med Chem 60: 3958-3978 (2017) Article DOI: 10.1021/acs.jmedchem.7b00259 BindingDB Entry DOI: 10.7270/Q2RV0R5D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50266623 (CHEMBL4081945) Show SMILES CNC(C)Cc1cc(OCc2ccc3c(C)cc(N)nc3c2)cc(c1)C#N Show InChI InChI=1S/C22H24N4O/c1-14-6-22(24)26-21-11-16(4-5-20(14)21)13-27-19-9-17(7-15(2)25-3)8-18(10-19)12-23/h4-6,8-11,15,25H,7,13H2,1-3H3,(H2,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB 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 recombinant rat nNOS expressed in Escherichia coli assessed as reduction in nitric oxide production using L-arginine as substrate measu...				J Med Chem 60: 3958-3978 (2017) Article DOI: 10.1021/acs.jmedchem.7b00259 BindingDB Entry DOI: 10.7270/Q2RV0R5D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50266619 (CHEMBL4074659) Show SMILES Cl.Cl.CNCc1cccc(CCc2ccc3c(C)cc(N)nc3c2)c1 Show InChI InChI=1S/C20H23N3/c1-14-10-20(21)23-19-12-16(8-9-18(14)19)7-6-15-4-3-5-17(11-15)13-22-2/h3-5,8-12,22H,6-7,13H2,1-2H3,(H2,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	51	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 recombinant human full-length nNOS expressed in Escherichia coli BL21(DE3) assessed as reduction in nitric oxide production using L-arg...				J Med Chem 60: 3958-3978 (2017) Article DOI: 10.1021/acs.jmedchem.7b00259 BindingDB Entry DOI: 10.7270/Q2RV0R5D
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50266590 (CHEMBL4066044) Show SMILES CNCc1cc(OCc2ccc3c(C)cc(N)nc3c2)ccc1Cl Show InChI InChI=1S/C19H20ClN3O/c1-12-7-19(21)23-18-8-13(3-5-16(12)18)11-24-15-4-6-17(20)14(9-15)10-22-2/h3-9,22H,10-11H2,1-2H3,(H2,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	52	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 recombinant human full-length nNOS expressed in Escherichia coli BL21(DE3) assessed as reduction in nitric oxide production using L-arg...				J Med Chem 60: 3958-3978 (2017) Article DOI: 10.1021/acs.jmedchem.7b00259 BindingDB Entry DOI: 10.7270/Q2RV0R5D
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50266603 (CHEMBL4078757) Show SMILES Cl.Cl.CNCc1cc(OCc2ccc3c(C)cc(N)nc3c2)cc(C#N)c1F Show InChI InChI=1S/C20H19FN4O/c1-12-5-19(23)25-18-6-13(3-4-17(12)18)11-26-16-7-14(9-22)20(21)15(8-16)10-24-2/h3-8,24H,10-11H2,1-2H3,(H2,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	54	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 recombinant human full-length nNOS expressed in Escherichia coli BL21(DE3) assessed as reduction in nitric oxide production using L-arg...				J Med Chem 60: 3958-3978 (2017) Article DOI: 10.1021/acs.jmedchem.7b00259 BindingDB Entry DOI: 10.7270/Q2RV0R5D
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50266588 (CHEMBL4068739) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCc1cc(CNC)cc(OCc2ccc3ccc(N)nc3c2)c1 Show InChI InChI=1S/C20H23N3O/c1-3-14-8-16(12-22-2)10-18(9-14)24-13-15-4-5-17-6-7-20(21)23-19(17)11-15/h4-11,22H,3,12-13H2,1-2H3,(H2,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	54	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 recombinant rat nNOS expressed in Escherichia coli assessed as reduction in nitric oxide production using L-arginine as substrate measu...				J Med Chem 60: 3958-3978 (2017) Article DOI: 10.1021/acs.jmedchem.7b00259 BindingDB Entry DOI: 10.7270/Q2RV0R5D
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50266602 (CHEMBL4061701) Show SMILES Cl.Cl.CNCc1cc(CCc2ccc3c(C)cc(N)nc3c2)cc(c1)C#N Show InChI InChI=1S/C21H22N4/c1-14-7-21(23)25-20-11-15(5-6-19(14)20)3-4-16-8-17(12-22)10-18(9-16)13-24-2/h5-11,24H,3-4,13H2,1-2H3,(H2,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	56	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 recombinant human full-length nNOS expressed in Escherichia coli BL21(DE3) assessed as reduction in nitric oxide production using L-arg...				J Med Chem 60: 3958-3978 (2017) Article DOI: 10.1021/acs.jmedchem.7b00259 BindingDB Entry DOI: 10.7270/Q2RV0R5D
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM344422 (US9783500, Compound 17) Show SMILES CNCc1cc(OCc2ccc3ccc(N)nc3c2)ccc1Cl Show InChI InChI=1S/C18H18ClN3O/c1-21-10-14-9-15(5-6-16(14)19)23-11-12-2-3-13-4-7-18(20)22-17(13)8-12/h2-9,21H,10-11H2,1H3,(H2,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	58	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 recombinant rat nNOS expressed in Escherichia coli assessed as reduction in nitric oxide production using L-arginine as substrate measu...				J Med Chem 60: 3958-3978 (2017) Article DOI: 10.1021/acs.jmedchem.7b00259 BindingDB Entry DOI: 10.7270/Q2RV0R5D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50266621 (CHEMBL4084387) Show SMILES CN[C@H](C)Cc1cc(OCc2ccc3c(C)cc(N)nc3c2)cc(c1)C#N |r| Show InChI InChI=1S/C22H24N4O/c1-14-6-22(24)26-21-11-16(4-5-20(14)21)13-27-19-9-17(7-15(2)25-3)8-18(10-19)12-23/h4-6,8-11,15,25H,7,13H2,1-3H3,(H2,24,26)/t15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	61	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 recombinant rat nNOS expressed in Escherichia coli assessed as reduction in nitric oxide production using L-arginine as substrate measu...				J Med Chem 60: 3958-3978 (2017) Article DOI: 10.1021/acs.jmedchem.7b00259 BindingDB Entry DOI: 10.7270/Q2RV0R5D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50266620 (CHEMBL4099944) Show SMILES CNCCc1cc(OCc2ccc3c(C)cc(N)nc3c2)cc(c1)C#N Show InChI InChI=1S/C21H22N4O/c1-14-7-21(23)25-20-11-16(3-4-19(14)20)13-26-18-9-15(5-6-24-2)8-17(10-18)12-22/h3-4,7-11,24H,5-6,13H2,1-2H3,(H2,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	61	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 recombinant human full-length nNOS expressed in Escherichia coli BL21(DE3) assessed as reduction in nitric oxide production using L-arg...				J Med Chem 60: 3958-3978 (2017) Article DOI: 10.1021/acs.jmedchem.7b00259 BindingDB Entry DOI: 10.7270/Q2RV0R5D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50266624 (CHEMBL4095114) Show SMILES Cl.Cl.CNCc1cc(CCc2ccc3ccc(N)nc3c2)cc(c1)C#N Show InChI InChI=1S/C20H20N4/c1-23-13-17-9-15(8-16(10-17)12-21)3-2-14-4-5-18-6-7-20(22)24-19(18)11-14/h4-11,23H,2-3,13H2,1H3,(H2,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	63	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 recombinant rat nNOS expressed in Escherichia coli assessed as reduction in nitric oxide production using L-arginine as substrate measu...				J Med Chem 60: 3958-3978 (2017) Article DOI: 10.1021/acs.jmedchem.7b00259 BindingDB Entry DOI: 10.7270/Q2RV0R5D
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50266621 (CHEMBL4084387) Show SMILES CN[C@H](C)Cc1cc(OCc2ccc3c(C)cc(N)nc3c2)cc(c1)C#N |r| Show InChI InChI=1S/C22H24N4O/c1-14-6-22(24)26-21-11-16(4-5-20(14)21)13-27-19-9-17(7-15(2)25-3)8-18(10-19)12-23/h4-6,8-11,15,25H,7,13H2,1-3H3,(H2,24,26)/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	65	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 recombinant human full-length nNOS expressed in Escherichia coli BL21(DE3) assessed as reduction in nitric oxide production using L-arg...				J Med Chem 60: 3958-3978 (2017) Article DOI: 10.1021/acs.jmedchem.7b00259 BindingDB Entry DOI: 10.7270/Q2RV0R5D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50449038 (CHEMBL3126204 | US9212144, 15 (Ex. 17)) Show SMILES Nc1ccc2ccc(CCNCCc3cccc(Cl)c3)cc2n1 Show InChI InChI=1S/C19H20ClN3/c20-17-3-1-2-14(12-17)8-10-22-11-9-15-4-5-16-6-7-19(21)23-18(16)13-15/h1-7,12-13,22H,8-11H2,(H2,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	66	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 recombinant rat nNOS expressed in Escherichia coli assessed as reduction in nitric oxide production using L-arginine as substrate measu...				J Med Chem 60: 3958-3978 (2017) Article DOI: 10.1021/acs.jmedchem.7b00259 BindingDB Entry DOI: 10.7270/Q2RV0R5D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50266606 (CHEMBL4088321) Show SMILES Cl.Cl.CNCc1cc(Br)cc(OCc2ccc3ccc(N)nc3c2)c1 Show InChI InChI=1S/C18H18BrN3O/c1-21-10-13-6-15(19)9-16(7-13)23-11-12-2-3-14-4-5-18(20)22-17(14)8-12/h2-9,21H,10-11H2,1H3,(H2,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	71	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 recombinant rat nNOS expressed in Escherichia coli assessed as reduction in nitric oxide production using L-arginine as substrate measu...				J Med Chem 60: 3958-3978 (2017) Article DOI: 10.1021/acs.jmedchem.7b00259 BindingDB Entry DOI: 10.7270/Q2RV0R5D
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50266623 (CHEMBL4081945) Show SMILES CNC(C)Cc1cc(OCc2ccc3c(C)cc(N)nc3c2)cc(c1)C#N Show InChI InChI=1S/C22H24N4O/c1-14-6-22(24)26-21-11-16(4-5-20(14)21)13-27-19-9-17(7-15(2)25-3)8-18(10-19)12-23/h4-6,8-11,15,25H,7,13H2,1-3H3,(H2,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	74	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 recombinant human full-length nNOS expressed in Escherichia coli BL21(DE3) assessed as reduction in nitric oxide production using L-arg...				J Med Chem 60: 3958-3978 (2017) Article DOI: 10.1021/acs.jmedchem.7b00259 BindingDB Entry DOI: 10.7270/Q2RV0R5D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50266601 (CHEMBL4087425) Show SMILES CCc1cc(CNC)cc(OCc2ccc3c(C)cc(N)nc3c2)c1 Show InChI InChI=1S/C21H25N3O/c1-4-15-8-17(12-23-3)10-18(9-15)25-13-16-5-6-19-14(2)7-21(22)24-20(19)11-16/h5-11,23H,4,12-13H2,1-3H3,(H2,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	78	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 recombinant human full-length nNOS expressed in Escherichia coli BL21(DE3) assessed as reduction in nitric oxide production using L-arg...				J Med Chem 60: 3958-3978 (2017) Article DOI: 10.1021/acs.jmedchem.7b00259 BindingDB Entry DOI: 10.7270/Q2RV0R5D
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50266605 (CHEMBL4097845) Show SMILES Cl.Cl.CNCc1cc(Cl)cc(OCc2ccc3ccc(N)nc3c2)c1 Show InChI InChI=1S/C18H18ClN3O/c1-21-10-13-6-15(19)9-16(7-13)23-11-12-2-3-14-4-5-18(20)22-17(14)8-12/h2-9,21H,10-11H2,1H3,(H2,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	79	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 recombinant rat nNOS expressed in Escherichia coli assessed as reduction in nitric oxide production using L-arginine as substrate measu...				J Med Chem 60: 3958-3978 (2017) Article DOI: 10.1021/acs.jmedchem.7b00259 BindingDB Entry DOI: 10.7270/Q2RV0R5D
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50266607 (CHEMBL4060083) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CNCc1cc(OC)cc(OCc2ccc3ccc(N)nc3c2)c1 Show InChI InChI=1S/C19H21N3O2/c1-21-11-14-7-16(23-2)10-17(8-14)24-12-13-3-4-15-5-6-19(20)22-18(15)9-13/h3-10,21H,11-12H2,1-2H3,(H2,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	82	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 recombinant rat nNOS expressed in Escherichia coli assessed as reduction in nitric oxide production using L-arginine as substrate measu...				J Med Chem 60: 3958-3978 (2017) Article DOI: 10.1021/acs.jmedchem.7b00259 BindingDB Entry DOI: 10.7270/Q2RV0R5D
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50266588 (CHEMBL4068739) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCc1cc(CNC)cc(OCc2ccc3ccc(N)nc3c2)c1 Show InChI InChI=1S/C20H23N3O/c1-3-14-8-16(12-22-2)10-18(9-14)24-13-15-4-5-17-6-7-20(21)23-19(17)11-15/h4-11,22H,3,12-13H2,1-2H3,(H2,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	125	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 recombinant human full-length nNOS expressed in Escherichia coli BL21(DE3) assessed as reduction in nitric oxide production using L-arg...				J Med Chem 60: 3958-3978 (2017) Article DOI: 10.1021/acs.jmedchem.7b00259 BindingDB Entry DOI: 10.7270/Q2RV0R5D
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50266607 (CHEMBL4060083) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CNCc1cc(OC)cc(OCc2ccc3ccc(N)nc3c2)c1 Show InChI InChI=1S/C19H21N3O2/c1-21-11-14-7-16(23-2)10-17(8-14)24-12-13-3-4-15-5-6-19(20)22-18(15)9-13/h3-10,21H,11-12H2,1-2H3,(H2,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents 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 recombinant human full-length nNOS expressed in Escherichia coli BL21(DE3) assessed as reduction in nitric oxide production using L-arg...				J Med Chem 60: 3958-3978 (2017) Article DOI: 10.1021/acs.jmedchem.7b00259 BindingDB Entry DOI: 10.7270/Q2RV0R5D
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50266604 (CHEMBL3736586) Show SMILES CNCc1cccc(OCc2ccc3ccc(N)nc3c2)c1 Show InChI InChI=1S/C18H19N3O/c1-20-11-13-3-2-4-16(9-13)22-12-14-5-6-15-7-8-18(19)21-17(15)10-14/h2-10,20H,11-12H2,1H3,(H2,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	142	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 recombinant rat nNOS expressed in Escherichia coli assessed as reduction in nitric oxide production using L-arginine as substrate measu...				J Med Chem 60: 3958-3978 (2017) Article DOI: 10.1021/acs.jmedchem.7b00259 BindingDB Entry DOI: 10.7270/Q2RV0R5D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM344422 (US9783500, Compound 17) Show SMILES CNCc1cc(OCc2ccc3ccc(N)nc3c2)ccc1Cl Show InChI InChI=1S/C18H18ClN3O/c1-21-10-14-9-15(5-6-16(14)19)23-11-12-2-3-13-4-7-18(20)22-17(13)8-12/h2-9,21H,10-11H2,1H3,(H2,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	295	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 recombinant human full-length nNOS expressed in Escherichia coli BL21(DE3) assessed as reduction in nitric oxide production using L-arg...				J Med Chem 60: 3958-3978 (2017) Article DOI: 10.1021/acs.jmedchem.7b00259 BindingDB Entry DOI: 10.7270/Q2RV0R5D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50449046 (CHEMBL3126215 | US9212144, 7 (Ex. 13)) Show SMILES Nc1ccc2ccc(CCNCCc3cccc(F)c3)cc2n1 Show InChI InChI=1S/C19H20FN3/c20-17-3-1-2-14(12-17)8-10-22-11-9-15-4-5-16-6-7-19(21)23-18(16)13-15/h1-7,12-13,22H,8-11H2,(H2,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	318	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 recombinant human full-length nNOS expressed in Escherichia coli BL21(DE3) assessed as reduction in nitric oxide production using L-arg...				J Med Chem 60: 3958-3978 (2017) Article DOI: 10.1021/acs.jmedchem.7b00259 BindingDB Entry DOI: 10.7270/Q2RV0R5D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50449038 (CHEMBL3126204 | US9212144, 15 (Ex. 17)) Show SMILES Nc1ccc2ccc(CCNCCc3cccc(Cl)c3)cc2n1 Show InChI InChI=1S/C19H20ClN3/c20-17-3-1-2-14(12-17)8-10-22-11-9-15-4-5-16-6-7-19(21)23-18(16)13-15/h1-7,12-13,22H,8-11H2,(H2,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	440	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 recombinant human full-length nNOS expressed in Escherichia coli BL21(DE3) assessed as reduction in nitric oxide production using L-arg...				J Med Chem 60: 3958-3978 (2017) Article DOI: 10.1021/acs.jmedchem.7b00259 BindingDB Entry DOI: 10.7270/Q2RV0R5D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50266604 (CHEMBL3736586) Show SMILES CNCc1cccc(OCc2ccc3ccc(N)nc3c2)c1 Show InChI InChI=1S/C18H19N3O/c1-20-11-13-3-2-4-16(9-13)22-12-14-5-6-15-7-8-18(19)21-17(15)10-14/h2-10,20H,11-12H2,1H3,(H2,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	911	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 recombinant human full-length nNOS expressed in Escherichia coli BL21(DE3) assessed as reduction in nitric oxide production using L-arg...				J Med Chem 60: 3958-3978 (2017) Article DOI: 10.1021/acs.jmedchem.7b00259 BindingDB Entry DOI: 10.7270/Q2RV0R5D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50266603 (CHEMBL4078757) Show SMILES Cl.Cl.CNCc1cc(OCc2ccc3c(C)cc(N)nc3c2)cc(C#N)c1F Show InChI InChI=1S/C20H19FN4O/c1-12-5-19(23)25-18-6-13(3-4-17(12)18)11-26-16-7-14(9-22)20(21)15(8-16)10-24-2/h3-8,24H,10-11H2,1-2H3,(H2,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.35E+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 recombinant mouse macrophage iNOS expressed in Escherichia coli assessed as reduction in nitric oxide production using L-arginine as su...				J Med Chem 60: 3958-3978 (2017) Article DOI: 10.1021/acs.jmedchem.7b00259 BindingDB Entry DOI: 10.7270/Q2RV0R5D
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50266602 (CHEMBL4061701) Show SMILES Cl.Cl.CNCc1cc(CCc2ccc3c(C)cc(N)nc3c2)cc(c1)C#N Show InChI InChI=1S/C21H22N4/c1-14-7-21(23)25-20-11-15(5-6-19(14)20)3-4-16-8-17(12-22)10-18(9-16)13-24-2/h5-11,24H,3-4,13H2,1-2H3,(H2,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.42E+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 recombinant mouse macrophage iNOS expressed in Escherichia coli assessed as reduction in nitric oxide production using L-arginine as su...				J Med Chem 60: 3958-3978 (2017) Article DOI: 10.1021/acs.jmedchem.7b00259 BindingDB Entry DOI: 10.7270/Q2RV0R5D
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50266590 (CHEMBL4066044) Show SMILES CNCc1cc(OCc2ccc3c(C)cc(N)nc3c2)ccc1Cl Show InChI InChI=1S/C19H20ClN3O/c1-12-7-19(21)23-18-8-13(3-5-16(12)18)11-24-15-4-6-17(20)14(9-15)10-22-2/h3-9,22H,10-11H2,1-2H3,(H2,21,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.19E+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 recombinant human full-length eNOS expressed in Escherichia coli BL21(DE3) assessed as reduction in nitric oxide production using L-arg...				J Med Chem 60: 3958-3978 (2017) Article DOI: 10.1021/acs.jmedchem.7b00259 BindingDB Entry DOI: 10.7270/Q2RV0R5D
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50266619 (CHEMBL4074659) Show SMILES Cl.Cl.CNCc1cccc(CCc2ccc3c(C)cc(N)nc3c2)c1 Show InChI InChI=1S/C20H23N3/c1-14-10-20(21)23-19-12-16(8-9-18(14)19)7-6-15-4-3-5-17(11-15)13-22-2/h3-5,8-12,22H,6-7,13H2,1-2H3,(H2,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.54E+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 recombinant mouse macrophage iNOS expressed in Escherichia coli assessed as reduction in nitric oxide production using L-arginine as su...				J Med Chem 60: 3958-3978 (2017) Article DOI: 10.1021/acs.jmedchem.7b00259 BindingDB Entry DOI: 10.7270/Q2RV0R5D
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50266589 (CHEMBL4079543) Show SMILES CNCc1cc(OCc2ccc3c(C)cc(N)nc3c2)cc(c1)C#N Show InChI InChI=1S/C20H20N4O/c1-13-5-20(22)24-19-9-14(3-4-18(13)19)12-25-17-7-15(10-21)6-16(8-17)11-23-2/h3-9,23H,11-12H2,1-2H3,(H2,22,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	4.80E+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 recombinant human full-length eNOS expressed in Escherichia coli BL21(DE3) assessed as reduction in nitric oxide production using L-arg...				J Med Chem 60: 3958-3978 (2017) Article DOI: 10.1021/acs.jmedchem.7b00259 BindingDB Entry DOI: 10.7270/Q2RV0R5D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50266602 (CHEMBL4061701) Show SMILES Cl.Cl.CNCc1cc(CCc2ccc3c(C)cc(N)nc3c2)cc(c1)C#N Show InChI InChI=1S/C21H22N4/c1-14-7-21(23)25-20-11-15(5-6-19(14)20)3-4-16-8-17(12-22)10-18(9-16)13-24-2/h5-11,24H,3-4,13H2,1-2H3,(H2,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.04E+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 recombinant human full-length eNOS expressed in Escherichia coli BL21(DE3) assessed as reduction in nitric oxide production using L-arg...				J Med Chem 60: 3958-3978 (2017) Article DOI: 10.1021/acs.jmedchem.7b00259 BindingDB Entry DOI: 10.7270/Q2RV0R5D
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50266589 (CHEMBL4079543) Show SMILES CNCc1cc(OCc2ccc3c(C)cc(N)nc3c2)cc(c1)C#N Show InChI InChI=1S/C20H20N4O/c1-13-5-20(22)24-19-9-14(3-4-18(13)19)12-25-17-7-15(10-21)6-16(8-17)11-23-2/h3-9,23H,11-12H2,1-2H3,(H2,22,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	5.63E+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 recombinant human full-length eNOS expressed in Escherichia coli BL21(DE3) assessed as reduction in nitric oxide production using L-arg...				J Med Chem 60: 3958-3978 (2017) Article DOI: 10.1021/acs.jmedchem.7b00259 BindingDB Entry DOI: 10.7270/Q2RV0R5D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50266608 (CHEMBL4086610) Show SMILES CNCc1cccc(OCc2ccc3c(C)cc(N)nc3c2)c1 Show InChI InChI=1S/C19H21N3O/c1-13-8-19(20)22-18-10-15(6-7-17(13)18)12-23-16-5-3-4-14(9-16)11-21-2/h3-10,21H,11-12H2,1-2H3,(H2,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	5.75E+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 recombinant mouse macrophage iNOS expressed in Escherichia coli assessed as reduction in nitric oxide production using L-arginine as su...				J Med Chem 60: 3958-3978 (2017) Article DOI: 10.1021/acs.jmedchem.7b00259 BindingDB Entry DOI: 10.7270/Q2RV0R5D
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50266603 (CHEMBL4078757) Show SMILES Cl.Cl.CNCc1cc(OCc2ccc3c(C)cc(N)nc3c2)cc(C#N)c1F Show InChI InChI=1S/C20H19FN4O/c1-12-5-19(23)25-18-6-13(3-4-17(12)18)11-26-16-7-14(9-22)20(21)15(8-16)10-24-2/h3-8,24H,10-11H2,1-2H3,(H2,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.08E+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 recombinant human full-length eNOS expressed in Escherichia coli BL21(DE3) assessed as reduction in nitric oxide production using L-arg...				J Med Chem 60: 3958-3978 (2017) Article DOI: 10.1021/acs.jmedchem.7b00259 BindingDB Entry DOI: 10.7270/Q2RV0R5D
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50266619 (CHEMBL4074659) Show SMILES Cl.Cl.CNCc1cccc(CCc2ccc3c(C)cc(N)nc3c2)c1 Show InChI InChI=1S/C20H23N3/c1-14-10-20(21)23-19-12-16(8-9-18(14)19)7-6-15-4-3-5-17(11-15)13-22-2/h3-5,8-12,22H,6-7,13H2,1-2H3,(H2,21,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.09E+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 recombinant human full-length eNOS expressed in Escherichia coli BL21(DE3) assessed as reduction in nitric oxide production using L-arg...				J Med Chem 60: 3958-3978 (2017) Article DOI: 10.1021/acs.jmedchem.7b00259 BindingDB Entry DOI: 10.7270/Q2RV0R5D
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50266608 (CHEMBL4086610) Show SMILES CNCc1cccc(OCc2ccc3c(C)cc(N)nc3c2)c1 Show InChI InChI=1S/C19H21N3O/c1-13-8-19(20)22-18-10-15(6-7-17(13)18)12-23-16-5-3-4-14(9-16)11-21-2/h3-10,21H,11-12H2,1-2H3,(H2,20,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	6.66E+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 recombinant human full-length eNOS expressed in Escherichia coli BL21(DE3) assessed as reduction in nitric oxide production using L-arg...				J Med Chem 60: 3958-3978 (2017) Article DOI: 10.1021/acs.jmedchem.7b00259 BindingDB Entry DOI: 10.7270/Q2RV0R5D
					More data for this Ligand-Target Pair

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