Compile Data Set for Download or QSAR

Found 273 hits of ic50 for UniProtKB: P29476   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50098959 (5-Ethynyl-4,5-dihydro-thieno[2,3-c]pyridin-7-ylami...) Show SMILES NC1=NC(Cc2ccsc12)C#C |t:1| Show InChI InChI=1S/C9H8N2S/c1-2-7-5-6-3-4-12-8(6)9(10)11-7/h1,3-4,7H,5H2,(H2,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Ability to inhibit the conversion of [3H]-L-Arg to [3H]-L-citrulline catalyzed by n-NOS from rat cerebellum				Bioorg Med Chem Lett 11: 1027-30 (2001) BindingDB Entry DOI: 10.7270/Q2F76BT7
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50138977 (CHEMBL419740 | N-(3-Aminomethyl-phenyl)-acetamidin...) Show SMILES CC(=N)Nc1cccc(CN)c1 Show InChI InChI=1S/C9H13N3/c1-7(11)12-9-4-2-3-8(5-9)6-10/h2-5H,6,10H2,1H3,(H2,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibitory activity against neuronal nitric oxide synthase (nNOS)				J Med Chem 47: 703-10 (2004) Article DOI: 10.1021/jm030297m BindingDB Entry DOI: 10.7270/Q2MC90SQ
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50098962 (5-Cyclopropyl-4,5-dihydro-thieno[2,3-c]pyridin-7-y...) Show SMILES NC1=NC(Cc2ccsc12)C1CC1 |t:1| Show InChI InChI=1S/C10H12N2S/c11-10-9-7(3-4-13-9)5-8(12-10)6-1-2-6/h3-4,6,8H,1-2,5H2,(H2,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Ability to inhibit the conversion of [3H]-L-Arg to [3H]-L-citrulline catalyzed by n-NOS from rat cerebellum				Bioorg Med Chem Lett 11: 1027-30 (2001) BindingDB Entry DOI: 10.7270/Q2F76BT7
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50098961 (6-Cyclopropyl-6,7-dihydro-thieno[3,2-c]pyridin-4-y...) Show SMILES NC1=NC(Cc2sccc12)C1CC1 |t:1| Show InChI InChI=1S/C10H12N2S/c11-10-7-3-4-13-9(7)5-8(12-10)6-1-2-6/h3-4,6,8H,1-2,5H2,(H2,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Ability to inhibit the conversion of [3H]-L-Arg to [3H]-L-citrulline catalyzed by n-NOS from rat cerebellum				Bioorg Med Chem Lett 11: 1027-30 (2001) BindingDB Entry DOI: 10.7270/Q2F76BT7
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50141086 (6-[7-(2-Dimethylamino-ethoxy)-indan-4-yl]-pyridin-...) Show SMILES CN(C)CCOc1ccc(c2CCCc12)-c1cccc(N)n1 Show InChI InChI=1S/C18H23N3O/c1-21(2)11-12-22-17-10-9-14(13-5-3-6-15(13)17)16-7-4-8-18(19)20-16/h4,7-10H,3,5-6,11-12H2,1-2H3,(H2,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	21.8	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of rat neuronal nitric oxide synthase				J Med Chem 47: 1575-86 (2004) Article DOI: 10.1021/jm030519g BindingDB Entry DOI: 10.7270/Q2J102MT
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50098951 (6-Ethynyl-6,7-dihydro-thieno[3,2-c]pyridin-4-ylami...) Show SMILES NC1=NC(Cc2sccc12)C#C |t:1| Show InChI InChI=1S/C9H8N2S/c1-2-6-5-8-7(3-4-12-8)9(10)11-6/h1,3-4,6H,5H2,(H2,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Ability to inhibit the conversion of [3H]-L-Arg to [3H]-L-citrulline catalyzed by n-NOS from rat cerebellum				Bioorg Med Chem Lett 11: 1027-30 (2001) BindingDB Entry DOI: 10.7270/Q2F76BT7
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50141082 (6-[4-(2-Dimethylamino-ethoxy)-5,6,7,8-tetrahydro-n...) Show SMILES CN(C)CCOc1ccc(-c2cccc(N)n2)c2CCCCc12 Show InChI InChI=1S/C19H25N3O/c1-22(2)12-13-23-18-11-10-15(14-6-3-4-7-16(14)18)17-8-5-9-19(20)21-17/h5,8-11H,3-4,6-7,12-13H2,1-2H3,(H2,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of rat neuronal nitric oxide synthase				J Med Chem 47: 1575-86 (2004) Article DOI: 10.1021/jm030519g BindingDB Entry DOI: 10.7270/Q2J102MT
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50122307 (CHEMBL293212 | N-{4-[2-(3-Chloro-benzylamino)-ethy...) Show SMILES NC(=Nc1ccc(CCNCc2cccc(Cl)c2)cc1)c1cccs1 |w:2.2| Show InChI InChI=1S/C20H20ClN3S/c21-17-4-1-3-16(13-17)14-23-11-10-15-6-8-18(9-7-15)24-20(22)19-5-2-12-25-19/h1-9,12-13,23H,10-11,14H2,(H2,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	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 using L-arginine as substrate assessed as NO production by hemoglobin capture assay				J Med Chem 57: 1513-30 (2014) Article DOI: 10.1021/jm401838x BindingDB Entry DOI: 10.7270/Q2MP54SZ
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM196649 (US9212144, 4) Show SMILES Clc1cccc(CNCCc2ccc(NC(=N)c3cccs3)cc2)c1 Show InChI InChI=1S/C20H20ClN3S/c21-17-4-1-3-16(13-17)14-23-11-10-15-6-8-18(9-7-15)24-20(22)19-5-2-12-25-19/h1-9,12-13,23H,10-11,14H2,(H2,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MCE PC cid PC sid PDB UniChem	DrugBank PDB US Patent	n/a	n/a	35	n/a	n/a	n/a	n/a	7.4	n/a
Northwestern University US Patent					Assay Description To test for enzyme inhibition, the hemoglobin capture assay was used to measure nitric oxide production. The assay was performed at 37° C. in HEPES b...				US Patent US9212144 (2015) BindingDB Entry DOI: 10.7270/Q2K0732P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50098950 (5-Furan-2-yl-4,5-dihydro-thieno[2,3-c]pyridin-7-yl...) Show SMILES NC1=NC(Cc2ccsc12)c1ccco1 |t:1| Show InChI InChI=1S/C11H10N2OS/c12-11-10-7(3-5-15-10)6-8(13-11)9-2-1-4-14-9/h1-5,8H,6H2,(H2,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Ability to inhibit the conversion of [3H]-L-Arg to [3H]-L-citrulline catalyzed by n-NOS from rat cerebellum				Bioorg Med Chem Lett 11: 1027-30 (2001) BindingDB Entry DOI: 10.7270/Q2F76BT7
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	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 KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of rat neuronal nitric oxide synthase				J Med Chem 47: 1575-86 (2004) Article DOI: 10.1021/jm030519g BindingDB Entry DOI: 10.7270/Q2J102MT
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50141081 (6-[4-(1-Methyl-pyrrolidin-3-yloxy)-naphthalen-1-yl...) Show SMILES CN1CCC(C1)Oc1ccc(-c2cccc(N)n2)c2ccccc12 Show InChI InChI=1S/C20H21N3O/c1-23-12-11-14(13-23)24-19-10-9-16(15-5-2-3-6-17(15)19)18-7-4-8-20(21)22-18/h2-10,14H,11-13H2,1H3,(H2,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of rat neuronal nitric oxide synthase				J Med Chem 47: 1575-86 (2004) Article DOI: 10.1021/jm030519g BindingDB Entry DOI: 10.7270/Q2J102MT
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50098953 (5-Thiophen-2-yl-4,5-dihydro-thieno[2,3-c]pyridin-7...) Show SMILES NC1=NC(Cc2ccsc12)c1cccs1 |t:1| Show InChI InChI=1S/C11H10N2S2/c12-11-10-7(3-5-15-10)6-8(13-11)9-2-1-4-14-9/h1-5,8H,6H2,(H2,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Ability to inhibit the conversion of [3H]-L-Arg to [3H]-L-citrulline catalyzed by n-NOS from rat cerebellum				Bioorg Med Chem Lett 11: 1027-30 (2001) BindingDB Entry DOI: 10.7270/Q2F76BT7
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM142057 (US8927730, Aminopyridinea) Show SMILES CNc1cc(N)nc(NC)c1 Show InChI InChI=1S/C7H12N4/c1-9-5-3-6(8)11-7(4-5)10-2/h3-4H,1-2H3,(H4,8,9,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	7.4	37
Northwestern University US Patent					Assay Description The three NOS isoforms, rat nNOS, murine iNOS and bovine eNOS were recombinant enzymes overexpressed in E. coli and purified as reported in the liter...				US Patent US8927730 (2015) BindingDB Entry DOI: 10.7270/Q2610Z1V
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50206073 (CHEMBL233652 | N-[2-(2-pyridin-2-yl-ethylamino)-be...) Show SMILES NC(=Nc1ccc2nc(NCCc3ccccn3)sc2c1)c1cccs1 |w:2.2| Show InChI InChI=1S/C19H17N5S2/c20-18(16-5-3-11-25-16)23-14-6-7-15-17(12-14)26-19(24-15)22-10-8-13-4-1-2-9-21-13/h1-7,9,11-12H,8,10H2,(H2,20,23)(H,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon Inc. Curated by ChEMBL					Assay Description Inhibition of rat neuronal NOS activity				Bioorg Med Chem Lett 17: 2540-4 (2007) Article DOI: 10.1016/j.bmcl.2007.02.011 BindingDB Entry DOI: 10.7270/Q2WM1F6B
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50065843 (CHEMBL553081 | CHEMBL555715 | N-(3-Aminomethyl-phe...) Show SMILES NCc1cccc(c1)N=C(N)c1cccs1 |w:8.8| Show InChI InChI=1S/C12H13N3S/c13-8-9-3-1-4-10(7-9)15-12(14)11-5-2-6-16-11/h1-7H,8,13H2,(H2,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Institut Henri Beaufour Curated by ChEMBL					Assay Description Inhibitory concentration tested against neuronal nitric oxide synthase (nNOS ) from rat cerebellum				Bioorg Med Chem Lett 13: 209-12 (2002) BindingDB Entry DOI: 10.7270/Q2K9382B
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50091805 (2-amino-4,6-dimethylpyridine | 4,6-Dimethyl-pyridi...) Show SMILES Cc1cc(C)nc(N)c1 Show InChI InChI=1S/C7H10N2/c1-5-3-6(2)9-7(8)4-5/h3-4H,1-2H3,(H2,8,9)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	50	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 by hemoglobin capture assay				Bioorg Med Chem 20: 2435-43 (2012) Article DOI: 10.1016/j.bmc.2012.01.037 BindingDB Entry DOI: 10.7270/Q26110TZ
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50141089 (6-[7-(2-Pyrrolidin-1-yl-ethoxy)-indan-4-yl]-pyridi...) Show SMILES Nc1cccc(n1)-c1ccc(OCCN2CCCC2)c2CCCc12 Show InChI InChI=1S/C20H25N3O/c21-20-8-4-7-18(22-20)16-9-10-19(17-6-3-5-15(16)17)24-14-13-23-11-1-2-12-23/h4,7-10H,1-3,5-6,11-14H2,(H2,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of rat neuronal nitric oxide synthase				J Med Chem 47: 1575-86 (2004) Article DOI: 10.1021/jm030519g BindingDB Entry DOI: 10.7270/Q2J102MT
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50138983 ((S)-2-Amino-5-(2-methyl-isothioureido)-pentanoic a...) Show SMILES CSC(N)=NCCC[C@H](N)C(O)=O |r,w:4.4| Show InChI InChI=1S/C7H15N3O2S/c1-13-7(9)10-4-2-3-5(8)6(11)12/h5H,2-4,8H2,1H3,(H2,9,10)(H,11,12)/t5-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibitory activity against neuronal nitric oxide synthase (nNOS)				J Med Chem 47: 703-10 (2004) Article DOI: 10.1021/jm030297m BindingDB Entry DOI: 10.7270/Q2MC90SQ
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50141085 (6-[4-(2-Pyrrolidin-1-yl-ethoxy)-5,6,7,8-tetrahydro...) Show SMILES Nc1cccc(n1)-c1ccc(OCCN2CCCC2)c2CCCCc12 Show InChI InChI=1S/C21H27N3O/c22-21-9-5-8-19(23-21)17-10-11-20(18-7-2-1-6-16(17)18)25-15-14-24-12-3-4-13-24/h5,8-11H,1-4,6-7,12-15H2,(H2,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of rat neuronal nitric oxide synthase				J Med Chem 47: 1575-86 (2004) Article DOI: 10.1021/jm030519g BindingDB Entry DOI: 10.7270/Q2J102MT
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50122299 (CHEMBL538500 | N-[4-(2-Amino-ethyl)-phenyl]-thioph...) Show SMILES NCCc1ccc(cc1)N=C(N)c1cccs1 |w:9.9| Show InChI InChI=1S/C13H15N3S/c14-8-7-10-3-5-11(6-4-10)16-13(15)12-2-1-9-17-12/h1-6,9H,7-8,14H2,(H2,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Institut Henri Beaufour Curated by ChEMBL					Assay Description Inhibitory concentration tested against neuronal nitric oxide synthase (nNOS ) from rat cerebellum				Bioorg Med Chem Lett 13: 209-12 (2002) BindingDB Entry DOI: 10.7270/Q2K9382B
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50098954 (5-Prop-1-ynyl-4,5-dihydro-thieno[2,3-c]pyridin-7-y...) Show SMILES CC#CC1Cc2ccsc2C(N)=N1 |c:12| Show InChI InChI=1S/C10H10N2S/c1-2-3-8-6-7-4-5-13-9(7)10(11)12-8/h4-5,8H,6H2,1H3,(H2,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Ability to inhibit the conversion of [3H]-L-Arg to [3H]-L-citrulline catalyzed by n-NOS from rat cerebellum				Bioorg Med Chem Lett 11: 1027-30 (2001) BindingDB Entry DOI: 10.7270/Q2F76BT7
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50141077 (6-[4-(1-Methyl-pyrrolidin-2-ylmethoxy)-naphthalen-...) Show SMILES CN1CCCC1COc1ccc(-c2cccc(N)n2)c2ccccc12 Show InChI InChI=1S/C21H23N3O/c1-24-13-5-6-15(24)14-25-20-12-11-17(16-7-2-3-8-18(16)20)19-9-4-10-21(22)23-19/h2-4,7-12,15H,5-6,13-14H2,1H3,(H2,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	80.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of rat neuronal nitric oxide synthase				J Med Chem 47: 1575-86 (2004) Article DOI: 10.1021/jm030519g BindingDB Entry DOI: 10.7270/Q2J102MT
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50141074 (6-{7-[2-(4-Methyl-piperazin-1-yl)-ethoxy]-indan-4-...) Show SMILES CN1CCN(CCOc2ccc(c3CCCc23)-c2cccc(N)n2)CC1 Show InChI InChI=1S/C21H28N4O/c1-24-10-12-25(13-11-24)14-15-26-20-9-8-17(16-4-2-5-18(16)20)19-6-3-7-21(22)23-19/h3,6-9H,2,4-5,10-15H2,1H3,(H2,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of rat neuronal nitric oxide synthase				J Med Chem 47: 1575-86 (2004) Article DOI: 10.1021/jm030519g BindingDB Entry DOI: 10.7270/Q2J102MT
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50141079 (6-[4-(1-Aza-bicyclo[2.2.2]oct-2-ylmethoxy)-naphtha...) Show SMILES Nc1cccc(n1)-c1ccc(OCC2CC3CCN2CC3)c2ccccc12 |(11.24,-2.54,;9.89,-1.75,;9.89,-.21,;8.56,.56,;7.23,-.21,;7.23,-1.75,;8.56,-2.52,;5.89,-2.52,;4.57,-1.75,;3.24,-2.52,;3.24,-4.06,;1.89,-4.85,;.57,-4.08,;-.76,-4.86,;-2.09,-4.08,;-3.43,-4.85,;-1.9,-4.84,;-2.3,-6.31,;-.76,-6.4,;-2.11,-7.17,;-3.44,-6.4,;4.57,-4.82,;4.57,-6.37,;5.89,-7.14,;7.23,-6.37,;7.23,-4.82,;5.89,-4.06,)| Show InChI InChI=1S/C23H25N3O/c24-23-7-3-6-21(25-23)19-8-9-22(20-5-2-1-4-18(19)20)27-15-17-14-16-10-12-26(17)13-11-16/h1-9,16-17H,10-15H2,(H2,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of rat neuronal nitric oxide synthase				J Med Chem 47: 1575-86 (2004) Article DOI: 10.1021/jm030519g BindingDB Entry DOI: 10.7270/Q2J102MT
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50206064 (CHEMBL233857 | N-[2-(1-benzyl-piperidin-4-ylamino)...) Show SMILES NC(=Nc1ccc2nc(NC3CCN(Cc4ccccc4)CC3)sc2c1)c1cccs1 |w:2.2| Show InChI InChI=1S/C24H25N5S2/c25-23(21-7-4-14-30-21)26-19-8-9-20-22(15-19)31-24(28-20)27-18-10-12-29(13-11-18)16-17-5-2-1-3-6-17/h1-9,14-15,18H,10-13,16H2,(H2,25,26)(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon Inc. Curated by ChEMBL					Assay Description Inhibition of rat neuronal NOS activity				Bioorg Med Chem Lett 17: 2540-4 (2007) Article DOI: 10.1016/j.bmcl.2007.02.011 BindingDB Entry DOI: 10.7270/Q2WM1F6B
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50141088 (6-[4-(2-Dimethylamino-ethoxy)-6,7,8,9-tetrahydro-5...) Show SMILES CN(C)CCOc1ccc(-c2cccc(N)n2)c2CCCCCc12 Show InChI InChI=1S/C20H27N3O/c1-23(2)13-14-24-19-12-11-16(18-9-6-10-20(21)22-18)15-7-4-3-5-8-17(15)19/h6,9-12H,3-5,7-8,13-14H2,1-2H3,(H2,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of rat neuronal nitric oxide synthase				J Med Chem 47: 1575-86 (2004) Article DOI: 10.1021/jm030519g BindingDB Entry DOI: 10.7270/Q2J102MT
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50141083 (6-{4-[2-(4-Methyl-piperazin-1-yl)-ethoxy]-5,6,7,8-...) Show SMILES CN1CCN(CCOc2ccc(-c3cccc(N)n3)c3CCCCc23)CC1 Show InChI InChI=1S/C22H30N4O/c1-25-11-13-26(14-12-25)15-16-27-21-10-9-18(17-5-2-3-6-19(17)21)20-7-4-8-22(23)24-20/h4,7-10H,2-3,5-6,11-16H2,1H3,(H2,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	99.2	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of rat neuronal nitric oxide synthase				J Med Chem 47: 1575-86 (2004) Article DOI: 10.1021/jm030519g BindingDB Entry DOI: 10.7270/Q2J102MT
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50230993 ((2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]penta...) Show SMILES CNC(N)=NCCC[C@H](N)C(O)=O |r,w:4.4| Show InChI InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Inhibition of conversion of [3H]-L-Arg to [3H]-L-citrulline catalyzed by neuronal NOS (n NOS) from rat cerebellum				Bioorg Med Chem Lett 11: 1023-6 (2001) BindingDB Entry DOI: 10.7270/Q2K073JZ
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50098952 (6,7-Dihydro-thieno[3,2-c]pyridin-4-ylamine | CHEMB...) Show SMILES NC1=NCCc2sccc12 |t:1| Show InChI InChI=1S/C7H8N2S/c8-7-5-2-4-10-6(5)1-3-9-7/h2,4H,1,3H2,(H2,8,9)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Ability to inhibit the conversion of [3H]-L-Arg to [3H]-L-citrulline catalyzed by n-NOS from rat cerebellum				Bioorg Med Chem Lett 11: 1027-30 (2001) BindingDB Entry DOI: 10.7270/Q2F76BT7
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50279392 ((+/-)-6-((4-(2-(3-fluorophenethylamino)ethoxy)pyrr...) Show SMILES Cc1cc(N)nc(CC2CNCC2OCCNCCc2cccc(F)c2)c1 Show InChI InChI=1S/C21H29FN4O/c1-15-9-19(26-21(23)10-15)12-17-13-25-14-20(17)27-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-25H,5-8,12-14H2,1H3,(H2,23,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of wild type rat nNOS by hemoglobin capture assay				J Med Chem 52: 4533-7 (2009) Article DOI: 10.1021/jm900380j BindingDB Entry DOI: 10.7270/Q2TQ61G8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50091805 (2-amino-4,6-dimethylpyridine | 4,6-Dimethyl-pyridi...) Show SMILES Cc1cc(C)nc(N)c1 Show InChI InChI=1S/C7H10N2/c1-5-3-6(2)9-7(8)4-5/h3-4H,1-2H3,(H2,8,9)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of wild type rat nNOS by hemoglobin capture assay				J Med Chem 52: 4533-7 (2009) Article DOI: 10.1021/jm900380j BindingDB Entry DOI: 10.7270/Q2TQ61G8
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50279392 ((+/-)-6-((4-(2-(3-fluorophenethylamino)ethoxy)pyrr...) Show SMILES Cc1cc(N)nc(CC2CNCC2OCCNCCc2cccc(F)c2)c1 Show InChI InChI=1S/C21H29FN4O/c1-15-9-19(26-21(23)10-15)12-17-13-25-14-20(17)27-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-25H,5-8,12-14H2,1H3,(H2,23,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of wild type rat nNOS by radioactivity assay				J Med Chem 52: 4533-7 (2009) Article DOI: 10.1021/jm900380j BindingDB Entry DOI: 10.7270/Q2TQ61G8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50279361 ((+/-)-N1-(4-((6-amino-4-methylpyridin-2-yl)methyl)...) Show SMILES Cc1cc(N)nc(CC2CNCC2NCCNCCc2cccc(F)c2)c1 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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of wild type rat nNOS by hemoglobin capture assay				J Med Chem 52: 4533-7 (2009) Article DOI: 10.1021/jm900380j BindingDB Entry DOI: 10.7270/Q2TQ61G8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50230993 ((2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]penta...) Show SMILES CNC(N)=NCCC[C@H](N)C(O)=O |r,w:4.4| Show InChI InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Ability to inhibit the conversion of [3H]-L-Arg to [3H]-L-citrulline catalyzed by n-NOS from rat cerebellum				Bioorg Med Chem Lett 11: 1027-30 (2001) BindingDB Entry DOI: 10.7270/Q2F76BT7
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50081085 (1-(4-{2-[4-(6-Amino-pyridin-2-yl)-phenyl]-ethyl}-p...) Show SMILES Nc1cccc(n1)-c1ccc(CCN2CCN(CC2)C(=O)Cc2ccccc2)cc1 Show InChI InChI=1S/C25H28N4O/c26-24-8-4-7-23(27-24)22-11-9-20(10-12-22)13-14-28-15-17-29(18-16-28)25(30)19-21-5-2-1-3-6-21/h1-12H,13-19H2,(H2,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	108	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Groton Curated by ChEMBL					Assay Description Inhibitory activity against rat neuronal nitric oxide synthase (nNOS)				Bioorg Med Chem Lett 9: 2569-72 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XRP
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50209245 (CHEMBL247378) Show SMILES [O-][N+](=O)c1cccc2cn[nH]c12 Show InChI InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Inhibition of nNOS in Sprague-Dawley rat brain homogenates assessed as conversion of oxyhemoglobin to methemoglobin measured for 10 mins by UV-visibl...				Bioorg Med Chem 19: 3935-44 (2011) Article DOI: 10.1016/j.bmc.2011.05.034 BindingDB Entry DOI: 10.7270/Q2H132CH
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50379737 (CHEMBL2011128) Show SMILES CN(C)CCN1CCCCc2cc(ccc12)N=C(N)c1cccs1 |w:16.17| Show InChI InChI=1S/C19H26N4S/c1-22(2)11-12-23-10-4-3-6-15-14-16(8-9-17(15)23)21-19(20)18-7-5-13-24-18/h5,7-9,13-14H,3-4,6,10-12H2,1-2H3,(H2,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon Inc. Curated by ChEMBL					Assay Description Inhibition of rat nNOS				Bioorg Med Chem Lett 22: 2510-3 (2012) Article DOI: 10.1016/j.bmcl.2012.02.004 BindingDB Entry DOI: 10.7270/Q2639QRG
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50122300 (CHEMBL541300 | N-(3-{[3-(4-Hydroxy-3,5-diisopropyl...) Show SMILES CC(C)c1cc(CCCNCc2cccc(c2)N=C(N)c2cccs2)cc(C(C)C)c1O |w:17.17| Show InChI InChI=1S/C27H35N3OS/c1-18(2)23-15-20(16-24(19(3)4)26(23)31)9-6-12-29-17-21-8-5-10-22(14-21)30-27(28)25-11-7-13-32-25/h5,7-8,10-11,13-16,18-19,29,31H,6,9,12,17H2,1-4H3,(H2,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Institut Henri Beaufour Curated by ChEMBL					Assay Description Inhibitory concentration tested against neuronal nitric oxide synthase (nNOS ) from rat cerebellum				Bioorg Med Chem Lett 13: 209-12 (2002) BindingDB Entry DOI: 10.7270/Q2K9382B
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM196649 (US9212144, 4) Show SMILES Clc1cccc(CNCCc2ccc(NC(=N)c3cccs3)cc2)c1 Show InChI InChI=1S/C20H20ClN3S/c21-17-4-1-3-16(13-17)14-23-11-10-15-6-8-18(9-7-15)24-20(22)19-5-2-12-25-19/h1-9,12-13,23H,10-11,14H2,(H2,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MCE PC cid PC sid PDB UniChem	DrugBank PDB PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Institut Henri Beaufour Curated by ChEMBL					Assay Description Inhibitory concentration tested against neuronal nitric oxide synthase (nNOS ) from rat cerebellum				Bioorg Med Chem Lett 13: 209-12 (2002) BindingDB Entry DOI: 10.7270/Q2K9382B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50081082 (2-(4-{2-[4-(6-Amino-pyridin-2-yl)-phenyl]-ethyl}-p...) Show SMILES Nc1cccc(n1)-c1ccc(CCN2CCN(CC(=O)c3ccccc3)CC2)cc1 Show InChI InChI=1S/C25H28N4O/c26-25-8-4-7-23(27-25)21-11-9-20(10-12-21)13-14-28-15-17-29(18-16-28)19-24(30)22-5-2-1-3-6-22/h1-12H,13-19H2,(H2,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	127	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of rat neuronal nitric oxide synthase				J Med Chem 47: 1575-86 (2004) Article DOI: 10.1021/jm030519g BindingDB Entry DOI: 10.7270/Q2J102MT
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50081082 (2-(4-{2-[4-(6-Amino-pyridin-2-yl)-phenyl]-ethyl}-p...) Show SMILES Nc1cccc(n1)-c1ccc(CCN2CCN(CC(=O)c3ccccc3)CC2)cc1 Show InChI InChI=1S/C25H28N4O/c26-25-8-4-7-23(27-25)21-11-9-20(10-12-21)13-14-28-15-17-29(18-16-28)19-24(30)22-5-2-1-3-6-22/h1-12H,13-19H2,(H2,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	127	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Groton Curated by ChEMBL					Assay Description Inhibitory activity against rat neuronal nitric oxide synthase (nNOS)				Bioorg Med Chem Lett 9: 2569-72 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XRP
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50081081 (6-{4-[2-(4-Quinolin-8-yl-piperazin-1-yl)-ethyl]-ph...) Show SMILES Nc1cccc(n1)-c1ccc(CCN2CCN(CC2)c2cccc3cccnc23)cc1 Show InChI InChI=1S/C26H27N5/c27-25-8-2-6-23(29-25)21-11-9-20(10-12-21)13-15-30-16-18-31(19-17-30)24-7-1-4-22-5-3-14-28-26(22)24/h1-12,14H,13,15-19H2,(H2,27,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Groton Curated by ChEMBL					Assay Description Inhibitory activity against rat neuronal nitric oxide synthase (nNOS)				Bioorg Med Chem Lett 9: 2569-72 (1999) BindingDB Entry DOI: 10.7270/Q2BC3XRP
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50279392 ((+/-)-6-((4-(2-(3-fluorophenethylamino)ethoxy)pyrr...) Show SMILES Cc1cc(N)nc(CC2CNCC2OCCNCCc2cccc(F)c2)c1 Show InChI InChI=1S/C21H29FN4O/c1-15-9-19(26-21(23)10-15)12-17-13-25-14-20(17)27-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-25H,5-8,12-14H2,1H3,(H2,23,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	130	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 assessed as formation of nitric oxide by hemoglobin capture assay				Bioorg Med Chem Lett 20: 554-7 (2010) Article DOI: 10.1016/j.bmcl.2009.11.086 BindingDB Entry DOI: 10.7270/Q20G3K86
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50098956 (5-Phenyl-4,5-dihydro-thieno[2,3-c]pyridin-7-ylamin...) Show SMILES NC1=NC(Cc2ccsc12)c1ccccc1 |t:1| Show InChI InChI=1S/C13H12N2S/c14-13-12-10(6-7-16-12)8-11(15-13)9-4-2-1-3-5-9/h1-7,11H,8H2,(H2,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Ability to inhibit the conversion of [3H]-L-Arg to [3H]-L-citrulline catalyzed by n-NOS from rat cerebellum				Bioorg Med Chem Lett 11: 1027-30 (2001) BindingDB Entry DOI: 10.7270/Q2F76BT7
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50141080 (6-[4-(2-Dimethylamino-cyclohexyloxy)-naphthalen-1-...) Show SMILES CN(C)C1CCCCC1Oc1ccc(-c2cccc(N)n2)c2ccccc12 Show InChI InChI=1S/C23H27N3O/c1-26(2)20-11-5-6-12-22(20)27-21-15-14-17(16-8-3-4-9-18(16)21)19-10-7-13-23(24)25-19/h3-4,7-10,13-15,20,22H,5-6,11-12H2,1-2H3,(H2,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of rat neuronal nitric oxide synthase				J Med Chem 47: 1575-86 (2004) Article DOI: 10.1021/jm030519g BindingDB Entry DOI: 10.7270/Q2J102MT
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM190667 (US10759791, Compound 14j | nNOS inhibitor, 5) Show SMILES CNCCCc1cncc(CCc2cc(C)cc(N)n2)c1 Show InChI InChI=1S/C17H24N4/c1-13-8-16(21-17(18)9-13)6-5-15-10-14(11-20-12-15)4-3-7-19-2/h8-12,19H,3-7H2,1-2H3,(H2,18,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	142	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 using L-arginine as substrate assessed as reduction in NO production measured for 6 ...				J Med Chem 59: 4913-25 (2016) Article DOI: 10.1021/acs.jmedchem.6b00273 BindingDB Entry DOI: 10.7270/Q2J38VHQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50098937 ((S)-methyl 2-amino-5-(amino(nitroamino)methyleneam...) Show SMILES COC(=O)[C@@H](N)CCCNC(N)=N[N+]([O-])=O |r,w:12.12| Show InChI InChI=1S/C7H15N5O4/c1-16-6(13)5(8)3-2-4-10-7(9)11-12(14)15/h5H,2-4,8H2,1H3,(H3,9,10,11)/t5-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Inhibition of conversion of [3H]-L-Arg to [3H]-L-citrulline catalyzed by neuronal NOS (n NOS) from rat cerebellum				Bioorg Med Chem Lett 11: 1023-6 (2001) BindingDB Entry DOI: 10.7270/Q2K073JZ
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50141084 (6-[4-(2-Dimethylamino-ethoxy)-naphthalen-1-yl]-pyr...) Show SMILES CN(C)CCOc1ccc(-c2cccc(N)n2)c2ccccc12 Show InChI InChI=1S/C19H21N3O/c1-22(2)12-13-23-18-11-10-15(14-6-3-4-7-16(14)18)17-8-5-9-19(20)21-17/h3-11H,12-13H2,1-2H3,(H2,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	167	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of rat neuronal nitric oxide synthase				J Med Chem 47: 1575-86 (2004) Article DOI: 10.1021/jm030519g BindingDB Entry DOI: 10.7270/Q2J102MT
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50141076 (6-[4-(2-Pyrrolidin-1-yl-ethoxy)-naphthalen-1-yl]-p...) Show SMILES Nc1cccc(n1)-c1ccc(OCCN2CCCC2)c2ccccc12 Show InChI InChI=1S/C21H23N3O/c22-21-9-5-8-19(23-21)17-10-11-20(18-7-2-1-6-16(17)18)25-15-14-24-12-3-4-13-24/h1-2,5-11H,3-4,12-15H2,(H2,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	175	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of rat neuronal nitric oxide synthase				J Med Chem 47: 1575-86 (2004) Article DOI: 10.1021/jm030519g BindingDB Entry DOI: 10.7270/Q2J102MT
					More data for this Ligand-Target Pair

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