Compile Data Set for Download or QSAR

Found 50 hits Enz. Inhib. hit(s) with all data for entry = 50000450   

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 (Homo sapiens (Human))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	13	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 human neuronal NOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring oxid...				J Med Chem 60: 9360-9375 (2017) Article DOI: 10.1021/acs.jmedchem.7b01356 BindingDB Entry DOI: 10.7270/Q2280B1K
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	16	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 neuronal NOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring oxidat...				J Med Chem 60: 9360-9375 (2017) Article DOI: 10.1021/acs.jmedchem.7b01356 BindingDB Entry DOI: 10.7270/Q2280B1K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50250568 (CHEMBL4094689) Show SMILES CN(C)CCCc1cc(F)cc(CCc2cc(C)cc(N)n2)c1 Show InChI InChI=1S/C19H26FN3/c1-14-9-18(22-19(21)10-14)7-6-16-11-15(12-17(20)13-16)5-4-8-23(2)3/h9-13H,4-8H2,1-3H3,(H2,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	26	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 neuronal NOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring oxidat...				J Med Chem 60: 9360-9375 (2017) Article DOI: 10.1021/acs.jmedchem.7b01356 BindingDB Entry DOI: 10.7270/Q2280B1K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50250568 (CHEMBL4094689) Show SMILES CN(C)CCCc1cc(F)cc(CCc2cc(C)cc(N)n2)c1 Show InChI InChI=1S/C19H26FN3/c1-14-9-18(22-19(21)10-14)7-6-16-11-15(12-17(20)13-16)5-4-8-23(2)3/h9-13H,4-8H2,1-3H3,(H2,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	30	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 human neuronal NOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring oxid...				J Med Chem 60: 9360-9375 (2017) Article DOI: 10.1021/acs.jmedchem.7b01356 BindingDB Entry DOI: 10.7270/Q2280B1K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50250575 (CHEMBL4079135) Show SMILES CNCCCc1cc(F)cc(CCc2cc(C)cc(N)n2)c1 Show InChI InChI=1S/C18H24FN3/c1-13-8-17(22-18(20)9-13)6-5-15-10-14(4-3-7-21-2)11-16(19)12-15/h8-12,21H,3-7H2,1-2H3,(H2,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	41	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 neuronal NOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring oxidat...				J Med Chem 60: 9360-9375 (2017) Article DOI: 10.1021/acs.jmedchem.7b01356 BindingDB Entry DOI: 10.7270/Q2280B1K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50250576 (CHEMBL4074188) Show SMILES CN(C)CCCc1cccc(CCc2cc(C)cc(N)n2)c1 Show InChI InChI=1S/C19H27N3/c1-15-12-18(21-19(20)13-15)10-9-17-7-4-6-16(14-17)8-5-11-22(2)3/h4,6-7,12-14H,5,8-11H2,1-3H3,(H2,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	43	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 human neuronal NOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring oxid...				J Med Chem 60: 9360-9375 (2017) Article DOI: 10.1021/acs.jmedchem.7b01356 BindingDB Entry DOI: 10.7270/Q2280B1K
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50250578 (CHEMBL4062639) Show SMILES CNCc1cccc(c1)-c1cc(F)cc(CCc2cc(C)cc(N)n2)c1 Show InChI InChI=1S/C22H24FN3/c1-15-8-21(26-22(24)9-15)7-6-16-10-19(13-20(23)12-16)18-5-3-4-17(11-18)14-25-2/h3-5,8-13,25H,6-7,14H2,1-2H3,(H2,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	44	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 neuronal NOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring oxidat...				J Med Chem 60: 9360-9375 (2017) Article DOI: 10.1021/acs.jmedchem.7b01356 BindingDB Entry DOI: 10.7270/Q2280B1K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50250572 (CHEMBL4071288) Show SMILES CNCc1cccc(c1)-c1cncc(CCc2cc(C)cc(N)n2)c1 Show InChI InChI=1S/C21H24N4/c1-15-8-20(25-21(22)9-15)7-6-17-11-19(14-24-13-17)18-5-3-4-16(10-18)12-23-2/h3-5,8-11,13-14,23H,6-7,12H2,1-2H3,(H2,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	47	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 neuronal NOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring oxidat...				J Med Chem 60: 9360-9375 (2017) Article DOI: 10.1021/acs.jmedchem.7b01356 BindingDB Entry DOI: 10.7270/Q2280B1K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50250579 (CHEMBL4103382) Show SMILES CNCCCc1cccc(CCc2cc(C)cc(N)n2)c1 Show InChI InChI=1S/C18H25N3/c1-14-11-17(21-18(19)12-14)9-8-16-6-3-5-15(13-16)7-4-10-20-2/h3,5-6,11-13,20H,4,7-10H2,1-2H3,(H2,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	48	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 neuronal NOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring oxidat...				J Med Chem 60: 9360-9375 (2017) Article DOI: 10.1021/acs.jmedchem.7b01356 BindingDB Entry DOI: 10.7270/Q2280B1K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50250579 (CHEMBL4103382) Show SMILES CNCCCc1cccc(CCc2cc(C)cc(N)n2)c1 Show InChI InChI=1S/C18H25N3/c1-14-11-17(21-18(19)12-14)9-8-16-6-3-5-15(13-16)7-4-10-20-2/h3,5-6,11-13,20H,4,7-10H2,1-2H3,(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	55	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 human neuronal NOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring oxid...				J Med Chem 60: 9360-9375 (2017) Article DOI: 10.1021/acs.jmedchem.7b01356 BindingDB Entry DOI: 10.7270/Q2280B1K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50250573 (CHEMBL4084332) Show SMILES CNCc1ccc(cc1)-c1cncc(CCc2cc(C)cc(N)n2)c1 Show InChI InChI=1S/C21H24N4/c1-15-9-20(25-21(22)10-15)8-5-17-11-19(14-24-13-17)18-6-3-16(4-7-18)12-23-2/h3-4,6-7,9-11,13-14,23H,5,8,12H2,1-2H3,(H2,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	57	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 neuronal NOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring oxidat...				J Med Chem 60: 9360-9375 (2017) Article DOI: 10.1021/acs.jmedchem.7b01356 BindingDB Entry DOI: 10.7270/Q2280B1K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50250576 (CHEMBL4074188) Show SMILES CN(C)CCCc1cccc(CCc2cc(C)cc(N)n2)c1 Show InChI InChI=1S/C19H27N3/c1-15-12-18(21-19(20)13-15)10-9-17-7-4-6-16(14-17)8-5-11-22(2)3/h4,6-7,12-14H,5,8-11H2,1-3H3,(H2,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	60	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 neuronal NOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring oxidat...				J Med Chem 60: 9360-9375 (2017) Article DOI: 10.1021/acs.jmedchem.7b01356 BindingDB Entry DOI: 10.7270/Q2280B1K
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50250575 (CHEMBL4079135) Show SMILES CNCCCc1cc(F)cc(CCc2cc(C)cc(N)n2)c1 Show InChI InChI=1S/C18H24FN3/c1-13-8-17(22-18(20)9-13)6-5-15-10-14(4-3-7-21-2)11-16(19)12-15/h8-12,21H,3-7H2,1-2H3,(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	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 human neuronal NOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring oxid...				J Med Chem 60: 9360-9375 (2017) Article DOI: 10.1021/acs.jmedchem.7b01356 BindingDB Entry DOI: 10.7270/Q2280B1K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50250572 (CHEMBL4071288) Show SMILES CNCc1cccc(c1)-c1cncc(CCc2cc(C)cc(N)n2)c1 Show InChI InChI=1S/C21H24N4/c1-15-8-20(25-21(22)9-15)7-6-17-11-19(14-24-13-17)18-5-3-4-16(10-18)12-23-2/h3-5,8-11,13-14,23H,6-7,12H2,1-2H3,(H2,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB 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 human neuronal NOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring oxid...				J Med Chem 60: 9360-9375 (2017) Article DOI: 10.1021/acs.jmedchem.7b01356 BindingDB Entry DOI: 10.7270/Q2280B1K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50250578 (CHEMBL4062639) Show SMILES CNCc1cccc(c1)-c1cc(F)cc(CCc2cc(C)cc(N)n2)c1 Show InChI InChI=1S/C22H24FN3/c1-15-8-21(26-22(24)9-15)7-6-16-10-19(13-20(23)12-16)18-5-3-4-17(11-18)14-25-2/h3-5,8-13,25H,6-7,14H2,1-2H3,(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	83	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 human neuronal NOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring oxid...				J Med Chem 60: 9360-9375 (2017) Article DOI: 10.1021/acs.jmedchem.7b01356 BindingDB Entry DOI: 10.7270/Q2280B1K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50250573 (CHEMBL4084332) Show SMILES CNCc1ccc(cc1)-c1cncc(CCc2cc(C)cc(N)n2)c1 Show InChI InChI=1S/C21H24N4/c1-15-9-20(25-21(22)10-15)8-5-17-11-19(14-24-13-17)18-6-3-16(4-7-18)12-23-2/h3-4,6-7,9-11,13-14,23H,5,8,12H2,1-2H3,(H2,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB 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 human neuronal NOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring oxid...				J Med Chem 60: 9360-9375 (2017) Article DOI: 10.1021/acs.jmedchem.7b01356 BindingDB Entry DOI: 10.7270/Q2280B1K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50250574 (CHEMBL4061573) Show SMILES CNCc1ccc(cc1)-c1cc(F)cc(CCc2cc(C)cc(N)n2)c1 Show InChI InChI=1S/C22H24FN3/c1-15-9-21(26-22(24)10-15)8-5-17-11-19(13-20(23)12-17)18-6-3-16(4-7-18)14-25-2/h3-4,6-7,9-13,25H,5,8,14H2,1-2H3,(H2,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	185	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 neuronal NOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring oxidat...				J Med Chem 60: 9360-9375 (2017) Article DOI: 10.1021/acs.jmedchem.7b01356 BindingDB Entry DOI: 10.7270/Q2280B1K
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50250577 (CHEMBL4102437) Show SMILES CN(C)CCCc1cc(CCc2cc(C)cc(N)n2)cc(c1)C#N Show InChI InChI=1S/C20H26N4/c1-15-9-19(23-20(22)10-15)7-6-17-11-16(5-4-8-24(2)3)12-18(13-17)14-21/h9-13H,4-8H2,1-3H3,(H2,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	232	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 neuronal NOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring oxidat...				J Med Chem 60: 9360-9375 (2017) Article DOI: 10.1021/acs.jmedchem.7b01356 BindingDB Entry DOI: 10.7270/Q2280B1K
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50250567 (CHEMBL4086997) Show SMILES CNCCCc1cc(CCc2cc(C)cc(N)n2)cc(c1)C#N Show InChI InChI=1S/C19H24N4/c1-14-8-18(23-19(21)9-14)6-5-16-10-15(4-3-7-22-2)11-17(12-16)13-20/h8-12,22H,3-7H2,1-2H3,(H2,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	252	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 neuronal NOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring oxidat...				J Med Chem 60: 9360-9375 (2017) Article DOI: 10.1021/acs.jmedchem.7b01356 BindingDB Entry DOI: 10.7270/Q2280B1K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50250566 (CHEMBL4065564) Show SMILES CNCCCc1cc(CCc2cc(C)cc(N)n2)cc(c1)C(F)(F)F Show InChI InChI=1S/C19H24F3N3/c1-13-8-17(25-18(23)9-13)6-5-15-10-14(4-3-7-24-2)11-16(12-15)19(20,21)22/h8-12,24H,3-7H2,1-2H3,(H2,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	346	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 neuronal NOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring oxidat...				J Med Chem 60: 9360-9375 (2017) Article DOI: 10.1021/acs.jmedchem.7b01356 BindingDB Entry DOI: 10.7270/Q2280B1K
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50250574 (CHEMBL4061573) Show SMILES CNCc1ccc(cc1)-c1cc(F)cc(CCc2cc(C)cc(N)n2)c1 Show InChI InChI=1S/C22H24FN3/c1-15-9-21(26-22(24)10-15)8-5-17-11-19(13-20(23)12-17)18-6-3-16(4-7-18)14-25-2/h3-4,6-7,9-13,25H,5,8,14H2,1-2H3,(H2,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	362	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 human neuronal NOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring oxid...				J Med Chem 60: 9360-9375 (2017) Article DOI: 10.1021/acs.jmedchem.7b01356 BindingDB Entry DOI: 10.7270/Q2280B1K
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50250567 (CHEMBL4086997) Show SMILES CNCCCc1cc(CCc2cc(C)cc(N)n2)cc(c1)C#N Show InChI InChI=1S/C19H24N4/c1-14-8-18(23-19(21)9-14)6-5-16-10-15(4-3-7-22-2)11-17(12-16)13-20/h8-12,22H,3-7H2,1-2H3,(H2,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	516	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 human neuronal NOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring oxid...				J Med Chem 60: 9360-9375 (2017) Article DOI: 10.1021/acs.jmedchem.7b01356 BindingDB Entry DOI: 10.7270/Q2280B1K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50250569 (CHEMBL4084484) Show SMILES CN(C)CCCc1cc(CCc2cc(C)cc(N)n2)cc(c1)C(F)(F)F Show InChI InChI=1S/C20H26F3N3/c1-14-9-18(25-19(24)10-14)7-6-16-11-15(5-4-8-26(2)3)12-17(13-16)20(21,22)23/h9-13H,4-8H2,1-3H3,(H2,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	541	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 neuronal NOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring oxidat...				J Med Chem 60: 9360-9375 (2017) Article DOI: 10.1021/acs.jmedchem.7b01356 BindingDB Entry DOI: 10.7270/Q2280B1K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50250566 (CHEMBL4065564) Show SMILES CNCCCc1cc(CCc2cc(C)cc(N)n2)cc(c1)C(F)(F)F Show InChI InChI=1S/C19H24F3N3/c1-13-8-17(25-18(23)9-13)6-5-15-10-14(4-3-7-24-2)11-16(12-15)19(20,21)22/h8-12,24H,3-7H2,1-2H3,(H2,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	598	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 human neuronal NOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring oxid...				J Med Chem 60: 9360-9375 (2017) Article DOI: 10.1021/acs.jmedchem.7b01356 BindingDB Entry DOI: 10.7270/Q2280B1K
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50250571 (CHEMBL4092089) Show SMILES CNc1cccc(c1)-c1cncc(CCc2cc(C)cc(N)n2)c1 Show InChI InChI=1S/C20H22N4/c1-14-8-19(24-20(21)9-14)7-6-15-10-17(13-23-12-15)16-4-3-5-18(11-16)22-2/h3-5,8-13,22H,6-7H2,1-2H3,(H2,21,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.70E+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 rat neuronal NOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring oxidat...				J Med Chem 60: 9360-9375 (2017) Article DOI: 10.1021/acs.jmedchem.7b01356 BindingDB Entry DOI: 10.7270/Q2280B1K
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	1.89E+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 macrophage iNOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring o...				J Med Chem 60: 9360-9375 (2017) Article DOI: 10.1021/acs.jmedchem.7b01356 BindingDB Entry DOI: 10.7270/Q2280B1K
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50250572 (CHEMBL4071288) Show SMILES CNCc1cccc(c1)-c1cncc(CCc2cc(C)cc(N)n2)c1 Show InChI InChI=1S/C21H24N4/c1-15-8-20(25-21(22)9-15)7-6-17-11-19(14-24-13-17)18-5-3-4-16(10-18)12-23-2/h3-5,8-11,13-14,23H,6-7,12H2,1-2H3,(H2,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	3.01E+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 macrophage iNOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring o...				J Med Chem 60: 9360-9375 (2017) Article DOI: 10.1021/acs.jmedchem.7b01356 BindingDB Entry DOI: 10.7270/Q2280B1K
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50250578 (CHEMBL4062639) Show SMILES CNCc1cccc(c1)-c1cc(F)cc(CCc2cc(C)cc(N)n2)c1 Show InChI InChI=1S/C22H24FN3/c1-15-8-21(26-22(24)9-15)7-6-16-10-19(13-20(23)12-16)18-5-3-4-17(11-18)14-25-2/h3-5,8-13,25H,6-7,14H2,1-2H3,(H2,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	3.01E+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 macrophage iNOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring o...				J Med Chem 60: 9360-9375 (2017) Article DOI: 10.1021/acs.jmedchem.7b01356 BindingDB Entry DOI: 10.7270/Q2280B1K
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50250576 (CHEMBL4074188) Show SMILES CN(C)CCCc1cccc(CCc2cc(C)cc(N)n2)c1 Show InChI InChI=1S/C19H27N3/c1-15-12-18(21-19(20)13-15)10-9-17-7-4-6-16(14-17)8-5-11-22(2)3/h4,6-7,12-14H,5,8-11H2,1-3H3,(H2,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.46E+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 macrophage iNOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring o...				J Med Chem 60: 9360-9375 (2017) Article DOI: 10.1021/acs.jmedchem.7b01356 BindingDB Entry DOI: 10.7270/Q2280B1K
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50250579 (CHEMBL4103382) Show SMILES CNCCCc1cccc(CCc2cc(C)cc(N)n2)c1 Show InChI InChI=1S/C18H25N3/c1-14-11-17(21-18(19)12-14)9-8-16-6-3-5-15(13-16)7-4-10-20-2/h3,5-6,11-13,20H,4,7-10H2,1-2H3,(H2,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	3.61E+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 macrophage iNOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring o...				J Med Chem 60: 9360-9375 (2017) Article DOI: 10.1021/acs.jmedchem.7b01356 BindingDB Entry DOI: 10.7270/Q2280B1K
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50250568 (CHEMBL4094689) Show SMILES CN(C)CCCc1cc(F)cc(CCc2cc(C)cc(N)n2)c1 Show InChI InChI=1S/C19H26FN3/c1-14-9-18(22-19(21)10-14)7-6-16-11-15(12-17(20)13-16)5-4-8-23(2)3/h9-13H,4-8H2,1-3H3,(H2,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	3.86E+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 macrophage iNOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring o...				J Med Chem 60: 9360-9375 (2017) Article DOI: 10.1021/acs.jmedchem.7b01356 BindingDB Entry DOI: 10.7270/Q2280B1K
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50250573 (CHEMBL4084332) Show SMILES CNCc1ccc(cc1)-c1cncc(CCc2cc(C)cc(N)n2)c1 Show InChI InChI=1S/C21H24N4/c1-15-9-20(25-21(22)10-15)8-5-17-11-19(14-24-13-17)18-6-3-16(4-7-18)12-23-2/h3-4,6-7,9-11,13-14,23H,5,8,12H2,1-2H3,(H2,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	4.21E+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 mouse macrophage iNOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring o...				J Med Chem 60: 9360-9375 (2017) Article DOI: 10.1021/acs.jmedchem.7b01356 BindingDB Entry DOI: 10.7270/Q2280B1K
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50250575 (CHEMBL4079135) Show SMILES CNCCCc1cc(F)cc(CCc2cc(C)cc(N)n2)c1 Show InChI InChI=1S/C18H24FN3/c1-13-8-17(22-18(20)9-13)6-5-15-10-14(4-3-7-21-2)11-16(19)12-15/h8-12,21H,3-7H2,1-2H3,(H2,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	4.65E+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 macrophage iNOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring o...				J Med Chem 60: 9360-9375 (2017) Article DOI: 10.1021/acs.jmedchem.7b01356 BindingDB Entry DOI: 10.7270/Q2280B1K
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50250571 (CHEMBL4092089) Show SMILES CNc1cccc(c1)-c1cncc(CCc2cc(C)cc(N)n2)c1 Show InChI InChI=1S/C20H22N4/c1-14-8-19(24-20(21)9-14)7-6-15-10-17(13-23-12-15)16-4-3-5-18(11-16)22-2/h3-5,8-13,22H,6-7H2,1-2H3,(H2,21,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.70E+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 macrophage iNOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring o...				J Med Chem 60: 9360-9375 (2017) Article DOI: 10.1021/acs.jmedchem.7b01356 BindingDB Entry DOI: 10.7270/Q2280B1K
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50250572 (CHEMBL4071288) Show SMILES CNCc1cccc(c1)-c1cncc(CCc2cc(C)cc(N)n2)c1 Show InChI InChI=1S/C21H24N4/c1-15-8-20(25-21(22)9-15)7-6-17-11-19(14-24-13-17)18-5-3-4-16(10-18)12-23-2/h3-5,8-11,13-14,23H,6-7,12H2,1-2H3,(H2,22,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	8.67E+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 human endothelial NOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring o...				J Med Chem 60: 9360-9375 (2017) Article DOI: 10.1021/acs.jmedchem.7b01356 BindingDB Entry DOI: 10.7270/Q2280B1K
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50250574 (CHEMBL4061573) Show SMILES CNCc1ccc(cc1)-c1cc(F)cc(CCc2cc(C)cc(N)n2)c1 Show InChI InChI=1S/C22H24FN3/c1-15-9-21(26-22(24)10-15)8-5-17-11-19(13-20(23)12-17)18-6-3-16(4-7-18)14-25-2/h3-4,6-7,9-13,25H,5,8,14H2,1-2H3,(H2,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.09E+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 macrophage iNOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring o...				J Med Chem 60: 9360-9375 (2017) Article DOI: 10.1021/acs.jmedchem.7b01356 BindingDB Entry DOI: 10.7270/Q2280B1K
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50250567 (CHEMBL4086997) Show SMILES CNCCCc1cc(CCc2cc(C)cc(N)n2)cc(c1)C#N Show InChI InChI=1S/C19H24N4/c1-14-8-18(23-19(21)9-14)6-5-16-10-15(4-3-7-22-2)11-17(12-16)13-20/h8-12,22H,3-7H2,1-2H3,(H2,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	1.62E+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 macrophage iNOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring o...				J Med Chem 60: 9360-9375 (2017) Article DOI: 10.1021/acs.jmedchem.7b01356 BindingDB Entry DOI: 10.7270/Q2280B1K
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50250577 (CHEMBL4102437) Show SMILES CN(C)CCCc1cc(CCc2cc(C)cc(N)n2)cc(c1)C#N Show InChI InChI=1S/C20H26N4/c1-15-9-19(23-20(22)10-15)7-6-17-11-16(5-4-8-24(2)3)12-18(13-17)14-21/h9-13H,4-8H2,1-3H3,(H2,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.64E+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 macrophage iNOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring o...				J Med Chem 60: 9360-9375 (2017) Article DOI: 10.1021/acs.jmedchem.7b01356 BindingDB Entry DOI: 10.7270/Q2280B1K
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50250578 (CHEMBL4062639) Show SMILES CNCc1cccc(c1)-c1cc(F)cc(CCc2cc(C)cc(N)n2)c1 Show InChI InChI=1S/C22H24FN3/c1-15-8-21(26-22(24)9-15)7-6-16-10-19(13-20(23)12-16)18-5-3-4-17(11-18)14-25-2/h3-5,8-13,25H,6-7,14H2,1-2H3,(H2,24,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	1.94E+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 human endothelial NOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring o...				J Med Chem 60: 9360-9375 (2017) Article DOI: 10.1021/acs.jmedchem.7b01356 BindingDB Entry DOI: 10.7270/Q2280B1K
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50250579 (CHEMBL4103382) Show SMILES CNCCCc1cccc(CCc2cc(C)cc(N)n2)c1 Show InChI InChI=1S/C18H25N3/c1-14-11-17(21-18(19)12-14)9-8-16-6-3-5-15(13-16)7-4-10-20-2/h3,5-6,11-13,20H,4,7-10H2,1-2H3,(H2,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	2.01E+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 human endothelial NOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring o...				J Med Chem 60: 9360-9375 (2017) Article DOI: 10.1021/acs.jmedchem.7b01356 BindingDB Entry DOI: 10.7270/Q2280B1K
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50250576 (CHEMBL4074188) Show SMILES CN(C)CCCc1cccc(CCc2cc(C)cc(N)n2)c1 Show InChI InChI=1S/C19H27N3/c1-15-12-18(21-19(20)13-15)10-9-17-7-4-6-16(14-17)8-5-11-22(2)3/h4,6-7,12-14H,5,8-11H2,1-3H3,(H2,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.08E+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 human endothelial NOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring o...				J Med Chem 60: 9360-9375 (2017) Article DOI: 10.1021/acs.jmedchem.7b01356 BindingDB Entry DOI: 10.7270/Q2280B1K
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	2.29E+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 human endothelial NOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring o...				J Med Chem 60: 9360-9375 (2017) Article DOI: 10.1021/acs.jmedchem.7b01356 BindingDB Entry DOI: 10.7270/Q2280B1K
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50250566 (CHEMBL4065564) Show SMILES CNCCCc1cc(CCc2cc(C)cc(N)n2)cc(c1)C(F)(F)F Show InChI InChI=1S/C19H24F3N3/c1-13-8-17(25-18(23)9-13)6-5-15-10-14(4-3-7-24-2)11-16(12-15)19(20,21)22/h8-12,24H,3-7H2,1-2H3,(H2,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.37E+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 macrophage iNOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring o...				J Med Chem 60: 9360-9375 (2017) Article DOI: 10.1021/acs.jmedchem.7b01356 BindingDB Entry DOI: 10.7270/Q2280B1K
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50250569 (CHEMBL4084484) Show SMILES CN(C)CCCc1cc(CCc2cc(C)cc(N)n2)cc(c1)C(F)(F)F Show InChI InChI=1S/C20H26F3N3/c1-14-9-18(25-19(24)10-14)7-6-16-11-15(5-4-8-26(2)3)12-17(13-16)20(21,22)23/h9-13H,4-8H2,1-3H3,(H2,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	3.60E+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 macrophage iNOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring o...				J Med Chem 60: 9360-9375 (2017) Article DOI: 10.1021/acs.jmedchem.7b01356 BindingDB Entry DOI: 10.7270/Q2280B1K
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50250575 (CHEMBL4079135) Show SMILES CNCCCc1cc(F)cc(CCc2cc(C)cc(N)n2)c1 Show InChI InChI=1S/C18H24FN3/c1-13-8-17(22-18(20)9-13)6-5-15-10-14(4-3-7-21-2)11-16(19)12-15/h8-12,21H,3-7H2,1-2H3,(H2,20,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	3.95E+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 human endothelial NOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring o...				J Med Chem 60: 9360-9375 (2017) Article DOI: 10.1021/acs.jmedchem.7b01356 BindingDB Entry DOI: 10.7270/Q2280B1K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50250567 (CHEMBL4086997) Show SMILES CNCCCc1cc(CCc2cc(C)cc(N)n2)cc(c1)C#N Show InChI InChI=1S/C19H24N4/c1-14-8-18(23-19(21)9-14)6-5-16-10-15(4-3-7-22-2)11-17(12-16)13-20/h8-12,22H,3-7H2,1-2H3,(H2,21,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	4.21E+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 human endothelial NOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring o...				J Med Chem 60: 9360-9375 (2017) Article DOI: 10.1021/acs.jmedchem.7b01356 BindingDB Entry DOI: 10.7270/Q2280B1K
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50250566 (CHEMBL4065564) Show SMILES CNCCCc1cc(CCc2cc(C)cc(N)n2)cc(c1)C(F)(F)F Show InChI InChI=1S/C19H24F3N3/c1-13-8-17(25-18(23)9-13)6-5-15-10-14(4-3-7-24-2)11-16(12-15)19(20,21)22/h8-12,24H,3-7H2,1-2H3,(H2,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.15E+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 human endothelial NOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring o...				J Med Chem 60: 9360-9375 (2017) Article DOI: 10.1021/acs.jmedchem.7b01356 BindingDB Entry DOI: 10.7270/Q2280B1K
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50250573 (CHEMBL4084332) Show SMILES CNCc1ccc(cc1)-c1cncc(CCc2cc(C)cc(N)n2)c1 Show InChI InChI=1S/C21H24N4/c1-15-9-20(25-21(22)10-15)8-5-17-11-19(14-24-13-17)18-6-3-16(4-7-18)12-23-2/h3-4,6-7,9-11,13-14,23H,5,8,12H2,1-2H3,(H2,22,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	6.85E+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 human endothelial NOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring o...				J Med Chem 60: 9360-9375 (2017) Article DOI: 10.1021/acs.jmedchem.7b01356 BindingDB Entry DOI: 10.7270/Q2280B1K
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50250574 (CHEMBL4061573) Show SMILES CNCc1ccc(cc1)-c1cc(F)cc(CCc2cc(C)cc(N)n2)c1 Show InChI InChI=1S/C22H24FN3/c1-15-9-21(26-22(24)10-15)8-5-17-11-19(13-20(23)12-17)18-6-3-16(4-7-18)14-25-2/h3-4,6-7,9-13,25H,5,8,14H2,1-2H3,(H2,24,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.99E+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 human endothelial NOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring o...				J Med Chem 60: 9360-9375 (2017) Article DOI: 10.1021/acs.jmedchem.7b01356 BindingDB Entry DOI: 10.7270/Q2280B1K
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50250568 (CHEMBL4094689) Show SMILES CN(C)CCCc1cc(F)cc(CCc2cc(C)cc(N)n2)c1 Show InChI InChI=1S/C19H26FN3/c1-14-9-18(22-19(21)10-14)7-6-16-11-15(12-17(20)13-16)5-4-8-23(2)3/h9-13H,4-8H2,1-3H3,(H2,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	8.40E+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 human endothelial NOS expressed in Escherichia coli using L-arginine as substrate assessed as reduction in NO production by measuring o...				J Med Chem 60: 9360-9375 (2017) Article DOI: 10.1021/acs.jmedchem.7b01356 BindingDB Entry DOI: 10.7270/Q2280B1K
					More data for this Ligand-Target Pair				3D Structure (crystal)