Compile Data Set for Download or QSAR

Found 31 hits Enz. Inhib. hit(s) with all data for entry = 50043284   

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))	BDBM50328814 ((+/-)-6-((4-(2-(3-fluorophenethylamino)ethoxy)pyrr...) Show SMILES Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCNCCc2cccc(F)c2)c1 |r| 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)/t17-,20+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	7	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 using L-arginine as substrate assessed as formation of nitric oxide measured up to 6...				Bioorg Med Chem 21: 5323-31 (2013) Article DOI: 10.1016/j.bmc.2013.06.014 BindingDB Entry DOI: 10.7270/Q2PZ5B7N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50438646 (CHEMBL2414427) Show SMILES Cc1cc(N)nc(CCCCCCc2cc(C)cc(N)n2)c1 Show InChI InChI=1S/C18H26N4/c1-13-9-15(21-17(19)11-13)7-5-3-4-6-8-16-10-14(2)12-18(20)22-16/h9-12H,3-8H2,1-2H3,(H2,19,21)(H2,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL 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 using L-arginine as substrate assessed as formation of nitric oxide measured up to 6...				Bioorg Med Chem 21: 5323-31 (2013) Article DOI: 10.1016/j.bmc.2013.06.014 BindingDB Entry DOI: 10.7270/Q2PZ5B7N
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50438641 (CHEMBL2414435 | US9732037, Compound 4) Show SMILES Cc1cc(N)nc(COc2cccc(CNCCc3cccc(F)c3)c2)c1 Show InChI InChI=1S/C22H24FN3O/c1-16-10-20(26-22(24)11-16)15-27-21-7-3-5-18(13-21)14-25-9-8-17-4-2-6-19(23)12-17/h2-7,10-13,25H,8-9,14-15H2,1H3,(H2,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	40	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 using L-arginine as substrate assessed as formation of nitric oxide measured up to 6...				Bioorg Med Chem 21: 5323-31 (2013) Article DOI: 10.1016/j.bmc.2013.06.014 BindingDB Entry DOI: 10.7270/Q2PZ5B7N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50438638 (CHEMBL2414426) Show SMILES Cc1cc(N)nc(CCCCCc2cc(C)cc(N)n2)c1 Show InChI InChI=1S/C17H24N4/c1-12-8-14(20-16(18)10-12)6-4-3-5-7-15-9-13(2)11-17(19)21-15/h8-11H,3-7H2,1-2H3,(H2,18,20)(H2,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB 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 recombinant rat nNOS expressed in Escherichia coli using L-arginine as substrate assessed as formation of nitric oxide measured up to 6...				Bioorg Med Chem 21: 5323-31 (2013) Article DOI: 10.1016/j.bmc.2013.06.014 BindingDB Entry DOI: 10.7270/Q2PZ5B7N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50438644 (CHEMBL2414429 | US9732037, Compound 1) Show SMILES Cc1cc(N)nc(COc2cccc(OCCCN)c2)c1 Show InChI InChI=1S/C16H21N3O2/c1-12-8-13(19-16(18)9-12)11-21-15-5-2-4-14(10-15)20-7-3-6-17/h2,4-5,8-10H,3,6-7,11,17H2,1H3,(H2,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB 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 recombinant rat nNOS expressed in Escherichia coli using L-arginine as substrate assessed as formation of nitric oxide measured up to 6...				Bioorg Med Chem 21: 5323-31 (2013) Article DOI: 10.1016/j.bmc.2013.06.014 BindingDB Entry DOI: 10.7270/Q2PZ5B7N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50438645 (CHEMBL2414428) Show SMILES Cc1cc(N)nc(CCCCCCCc2cc(C)cc(N)n2)c1 Show InChI InChI=1S/C19H28N4/c1-14-10-16(22-18(20)12-14)8-6-4-3-5-7-9-17-11-15(2)13-19(21)23-17/h10-13H,3-9H2,1-2H3,(H2,20,22)(H2,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	86	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 using L-arginine as substrate assessed as formation of nitric oxide measured up to 6...				Bioorg Med Chem 21: 5323-31 (2013) Article DOI: 10.1016/j.bmc.2013.06.014 BindingDB Entry DOI: 10.7270/Q2PZ5B7N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50438642 (CHEMBL2414432 | US9732037, Compound 3) Show SMILES Cc1cc(N)nc(COc2cccc(OCC3CCNCC3)c2)c1 Show InChI InChI=1S/C19H25N3O2/c1-14-9-16(22-19(20)10-14)13-24-18-4-2-3-17(11-18)23-12-15-5-7-21-8-6-15/h2-4,9-11,15,21H,5-8,12-13H2,1H3,(H2,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	117	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 using L-arginine as substrate assessed as formation of nitric oxide measured up to 6...				Bioorg Med Chem 21: 5323-31 (2013) Article DOI: 10.1016/j.bmc.2013.06.014 BindingDB Entry DOI: 10.7270/Q2PZ5B7N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50438639 (CHEMBL2414437 | US9732037, Compound 5) Show SMILES Cc1cc(N)nc(COc2cncc(CNCCc3cccc(F)c3)c2)c1 Show InChI InChI=1S/C21H23FN4O/c1-15-7-19(26-21(23)8-15)14-27-20-10-17(12-25-13-20)11-24-6-5-16-3-2-4-18(22)9-16/h2-4,7-10,12-13,24H,5-6,11,14H2,1H3,(H2,23,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	140	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 using L-arginine as substrate assessed as formation of nitric oxide measured up to 6...				Bioorg Med Chem 21: 5323-31 (2013) Article DOI: 10.1016/j.bmc.2013.06.014 BindingDB Entry DOI: 10.7270/Q2PZ5B7N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50438640 (CHEMBL2414436) Show SMILES Cc1cc(N)nc(COCc2cccc(CNCCc3cccc(F)c3)n2)c1 Show InChI InChI=1S/C22H25FN4O/c1-16-10-21(27-22(24)11-16)15-28-14-20-7-3-6-19(26-20)13-25-9-8-17-4-2-5-18(23)12-17/h2-7,10-12,25H,8-9,13-15H2,1H3,(H2,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	270	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 using L-arginine as substrate assessed as formation of nitric oxide measured up to 6...				Bioorg Med Chem 21: 5323-31 (2013) Article DOI: 10.1016/j.bmc.2013.06.014 BindingDB Entry DOI: 10.7270/Q2PZ5B7N
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50438638 (CHEMBL2414426) Show SMILES Cc1cc(N)nc(CCCCCc2cc(C)cc(N)n2)c1 Show InChI InChI=1S/C17H24N4/c1-12-8-14(20-16(18)10-12)6-4-3-5-7-15-9-13(2)11-17(19)21-15/h8-11H,3-7H2,1-2H3,(H2,18,20)(H2,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	375	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 using L-arginine as substrate assessed as formation of nitric oxide mea...				Bioorg Med Chem 21: 5323-31 (2013) Article DOI: 10.1016/j.bmc.2013.06.014 BindingDB Entry DOI: 10.7270/Q2PZ5B7N
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50438643 (CHEMBL2414430 | US9732037, Compound 2) Show SMILES Cc1cc(N)nc(COc2cccc(OCc3ccncc3)c2)c1 Show InChI InChI=1S/C19H19N3O2/c1-14-9-16(22-19(20)10-14)13-24-18-4-2-3-17(11-18)23-12-15-5-7-21-8-6-15/h2-11H,12-13H2,1H3,(H2,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	616	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 using L-arginine as substrate assessed as formation of nitric oxide measured up to 6...				Bioorg Med Chem 21: 5323-31 (2013) Article DOI: 10.1016/j.bmc.2013.06.014 BindingDB Entry DOI: 10.7270/Q2PZ5B7N
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Bos taurus (bovine))	BDBM50438638 (CHEMBL2414426) Show SMILES Cc1cc(N)nc(CCCCCc2cc(C)cc(N)n2)c1 Show InChI InChI=1S/C17H24N4/c1-12-8-14(20-16(18)10-12)6-4-3-5-7-15-9-13(2)11-17(19)21-15/h8-11H,3-7H2,1-2H3,(H2,18,20)(H2,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	979	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 bovine eNOS expressed in Escherichia coli using L-arginine as substrate assessed as formation of nitric oxide measured up t...				Bioorg Med Chem 21: 5323-31 (2013) Article DOI: 10.1016/j.bmc.2013.06.014 BindingDB Entry DOI: 10.7270/Q2PZ5B7N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50438646 (CHEMBL2414427) Show SMILES Cc1cc(N)nc(CCCCCCc2cc(C)cc(N)n2)c1 Show InChI InChI=1S/C18H26N4/c1-13-9-15(21-17(19)11-13)7-5-3-4-6-8-16-10-14(2)12-18(20)22-16/h9-12H,3-8H2,1-2H3,(H2,19,21)(H2,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80E+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 mouse macrophage iNOS expressed in Escherichia coli using L-arginine as substrate assessed as formation of nitric oxide mea...				Bioorg Med Chem 21: 5323-31 (2013) Article DOI: 10.1016/j.bmc.2013.06.014 BindingDB Entry DOI: 10.7270/Q2PZ5B7N
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Bos taurus (bovine))	BDBM50438645 (CHEMBL2414428) Show SMILES Cc1cc(N)nc(CCCCCCCc2cc(C)cc(N)n2)c1 Show InChI InChI=1S/C19H28N4/c1-14-10-16(22-18(20)12-14)8-6-4-3-5-7-9-17-11-15(2)13-19(21)23-17/h10-13H,3-9H2,1-2H3,(H2,20,22)(H2,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	2.15E+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 bovine eNOS expressed in Escherichia coli using L-arginine as substrate assessed as formation of nitric oxide measured up t...				Bioorg Med Chem 21: 5323-31 (2013) Article DOI: 10.1016/j.bmc.2013.06.014 BindingDB Entry DOI: 10.7270/Q2PZ5B7N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50438647 (CHEMBL2414434) Show SMILES Cc1cc(N)nc(COc2cccc(NCCc3cccc(F)c3)c2)c1 Show InChI InChI=1S/C21H22FN3O/c1-15-10-19(25-21(23)11-15)14-26-20-7-3-6-18(13-20)24-9-8-16-4-2-5-17(22)12-16/h2-7,10-13,24H,8-9,14H2,1H3,(H2,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.16E+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 rat nNOS expressed in Escherichia coli using L-arginine as substrate assessed as formation of nitric oxide measured up to 6...				Bioorg Med Chem 21: 5323-31 (2013) Article DOI: 10.1016/j.bmc.2013.06.014 BindingDB Entry DOI: 10.7270/Q2PZ5B7N
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50438645 (CHEMBL2414428) Show SMILES Cc1cc(N)nc(CCCCCCCc2cc(C)cc(N)n2)c1 Show InChI InChI=1S/C19H28N4/c1-14-10-16(22-18(20)12-14)8-6-4-3-5-7-9-17-11-15(2)13-19(21)23-17/h10-13H,3-9H2,1-2H3,(H2,20,22)(H2,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	2.19E+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 mouse macrophage iNOS expressed in Escherichia coli using L-arginine as substrate assessed as formation of nitric oxide mea...				Bioorg Med Chem 21: 5323-31 (2013) Article DOI: 10.1016/j.bmc.2013.06.014 BindingDB Entry DOI: 10.7270/Q2PZ5B7N
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Bos taurus (bovine))	BDBM50438646 (CHEMBL2414427) Show SMILES Cc1cc(N)nc(CCCCCCc2cc(C)cc(N)n2)c1 Show InChI InChI=1S/C18H26N4/c1-13-9-15(21-17(19)11-13)7-5-3-4-6-8-16-10-14(2)12-18(20)22-16/h9-12H,3-8H2,1-2H3,(H2,19,21)(H2,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.84E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of recombinant bovine eNOS expressed in Escherichia coli using L-arginine as substrate assessed as formation of nitric oxide measured up t...				Bioorg Med Chem 21: 5323-31 (2013) Article DOI: 10.1016/j.bmc.2013.06.014 BindingDB Entry DOI: 10.7270/Q2PZ5B7N
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50438639 (CHEMBL2414437 | US9732037, Compound 5) Show SMILES Cc1cc(N)nc(COc2cncc(CNCCc3cccc(F)c3)c2)c1 Show InChI InChI=1S/C21H23FN4O/c1-15-7-19(26-21(23)8-15)14-27-20-10-17(12-25-13-20)11-24-6-5-16-3-2-4-18(22)9-16/h2-4,7-10,12-13,24H,5-6,11,14H2,1H3,(H2,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	2.86E+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 recombinant mouse macrophage iNOS expressed in Escherichia coli using L-arginine as substrate assessed as formation of nitric oxide mea...				Bioorg Med Chem 21: 5323-31 (2013) Article DOI: 10.1016/j.bmc.2013.06.014 BindingDB Entry DOI: 10.7270/Q2PZ5B7N
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50438649 (CHEMBL2414431) Show SMILES Cc1cc(N)nc(COc2ccccc2-c2ccccc2OCc2ccncc2)c1 Show InChI InChI=1S/C25H23N3O2/c1-18-14-20(28-25(26)15-18)17-30-24-9-5-3-7-22(24)21-6-2-4-8-23(21)29-16-19-10-12-27-13-11-19/h2-15H,16-17H2,1H3,(H2,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.85E+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 rat nNOS expressed in Escherichia coli using L-arginine as substrate assessed as formation of nitric oxide measured up to 6...				Bioorg Med Chem 21: 5323-31 (2013) Article DOI: 10.1016/j.bmc.2013.06.014 BindingDB Entry DOI: 10.7270/Q2PZ5B7N
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50438648 (CHEMBL2414433) Show SMILES Cc1cc(N)nc(COc2ccccc2-c2ccccc2OCC2CCNCC2)c1 Show InChI InChI=1S/C25H29N3O2/c1-18-14-20(28-25(26)15-18)17-30-24-9-5-3-7-22(24)21-6-2-4-8-23(21)29-16-19-10-12-27-13-11-19/h2-9,14-15,19,27H,10-13,16-17H2,1H3,(H2,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.24E+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 rat nNOS expressed in Escherichia coli using L-arginine as substrate assessed as formation of nitric oxide measured up to 6...				Bioorg Med Chem 21: 5323-31 (2013) Article DOI: 10.1016/j.bmc.2013.06.014 BindingDB Entry DOI: 10.7270/Q2PZ5B7N
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Bos taurus (bovine))	BDBM50438640 (CHEMBL2414436) Show SMILES Cc1cc(N)nc(COCc2cccc(CNCCc3cccc(F)c3)n2)c1 Show InChI InChI=1S/C22H25FN4O/c1-16-10-21(27-22(24)11-16)15-28-14-20-7-3-6-19(26-20)13-25-9-8-17-4-2-5-18(23)12-17/h2-7,10-12,25H,8-9,13-15H2,1H3,(H2,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5.62E+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 bovine eNOS expressed in Escherichia coli using L-arginine as substrate assessed as formation of nitric oxide measured up t...				Bioorg Med Chem 21: 5323-31 (2013) Article DOI: 10.1016/j.bmc.2013.06.014 BindingDB Entry DOI: 10.7270/Q2PZ5B7N
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50438641 (CHEMBL2414435 | US9732037, Compound 4) Show SMILES Cc1cc(N)nc(COc2cccc(CNCCc3cccc(F)c3)c2)c1 Show InChI InChI=1S/C22H24FN3O/c1-16-10-20(26-22(24)11-16)15-27-21-7-3-5-18(13-21)14-25-9-8-17-4-2-6-19(23)12-17/h2-7,10-13,25H,8-9,14-15H2,1H3,(H2,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	5.89E+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 recombinant mouse macrophage iNOS expressed in Escherichia coli using L-arginine as substrate assessed as formation of nitric oxide mea...				Bioorg Med Chem 21: 5323-31 (2013) Article DOI: 10.1016/j.bmc.2013.06.014 BindingDB Entry DOI: 10.7270/Q2PZ5B7N
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50438640 (CHEMBL2414436) Show SMILES Cc1cc(N)nc(COCc2cccc(CNCCc3cccc(F)c3)n2)c1 Show InChI InChI=1S/C22H25FN4O/c1-16-10-21(27-22(24)11-16)15-28-14-20-7-3-6-19(26-20)13-25-9-8-17-4-2-5-18(23)12-17/h2-7,10-12,25H,8-9,13-15H2,1H3,(H2,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	8.43E+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 using L-arginine as substrate assessed as formation of nitric oxide mea...				Bioorg Med Chem 21: 5323-31 (2013) Article DOI: 10.1016/j.bmc.2013.06.014 BindingDB Entry DOI: 10.7270/Q2PZ5B7N
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50438644 (CHEMBL2414429 | US9732037, Compound 1) Show SMILES Cc1cc(N)nc(COc2cccc(OCCCN)c2)c1 Show InChI InChI=1S/C16H21N3O2/c1-12-8-13(19-16(18)9-12)11-21-15-5-2-4-14(10-15)20-7-3-6-17/h2,4-5,8-10H,3,6-7,11,17H2,1H3,(H2,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	8.47E+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 using L-arginine as substrate assessed as formation of nitric oxide mea...				Bioorg Med Chem 21: 5323-31 (2013) Article DOI: 10.1016/j.bmc.2013.06.014 BindingDB Entry DOI: 10.7270/Q2PZ5B7N
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Bos taurus (bovine))	BDBM50438639 (CHEMBL2414437 | US9732037, Compound 5) Show SMILES Cc1cc(N)nc(COc2cncc(CNCCc3cccc(F)c3)c2)c1 Show InChI InChI=1S/C21H23FN4O/c1-15-7-19(26-21(23)8-15)14-27-20-10-17(12-25-13-20)11-24-6-5-16-3-2-4-18(22)9-16/h2-4,7-10,12-13,24H,5-6,11,14H2,1H3,(H2,23,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.04E+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 recombinant bovine eNOS expressed in Escherichia coli using L-arginine as substrate assessed as formation of nitric oxide measured up t...				Bioorg Med Chem 21: 5323-31 (2013) Article DOI: 10.1016/j.bmc.2013.06.014 BindingDB Entry DOI: 10.7270/Q2PZ5B7N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, endothelial (Bos taurus (bovine))	BDBM50438641 (CHEMBL2414435 | US9732037, Compound 4) Show SMILES Cc1cc(N)nc(COc2cccc(CNCCc3cccc(F)c3)c2)c1 Show InChI InChI=1S/C22H24FN3O/c1-16-10-20(26-22(24)11-16)15-27-21-7-3-5-18(13-21)14-25-9-8-17-4-2-6-19(23)12-17/h2-7,10-13,25H,8-9,14-15H2,1H3,(H2,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.04E+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 recombinant bovine eNOS expressed in Escherichia coli using L-arginine as substrate assessed as formation of nitric oxide measured up t...				Bioorg Med Chem 21: 5323-31 (2013) Article DOI: 10.1016/j.bmc.2013.06.014 BindingDB Entry DOI: 10.7270/Q2PZ5B7N
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50438642 (CHEMBL2414432 | US9732037, Compound 3) Show SMILES Cc1cc(N)nc(COc2cccc(OCC3CCNCC3)c2)c1 Show InChI InChI=1S/C19H25N3O2/c1-14-9-16(22-19(20)10-14)13-24-18-4-2-3-17(11-18)23-12-15-5-7-21-8-6-15/h2-4,9-11,15,21H,5-8,12-13H2,1H3,(H2,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.71E+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 recombinant mouse macrophage iNOS expressed in Escherichia coli using L-arginine as substrate assessed as formation of nitric oxide mea...				Bioorg Med Chem 21: 5323-31 (2013) Article DOI: 10.1016/j.bmc.2013.06.014 BindingDB Entry DOI: 10.7270/Q2PZ5B7N
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Bos taurus (bovine))	BDBM50438644 (CHEMBL2414429 | US9732037, Compound 1) Show SMILES Cc1cc(N)nc(COc2cccc(OCCCN)c2)c1 Show InChI InChI=1S/C16H21N3O2/c1-12-8-13(19-16(18)9-12)11-21-15-5-2-4-14(10-15)20-7-3-6-17/h2,4-5,8-10H,3,6-7,11,17H2,1H3,(H2,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of recombinant bovine eNOS expressed in Escherichia coli using L-arginine as substrate assessed as formation of nitric oxide measured up t...				Bioorg Med Chem 21: 5323-31 (2013) Article DOI: 10.1016/j.bmc.2013.06.014 BindingDB Entry DOI: 10.7270/Q2PZ5B7N
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50438643 (CHEMBL2414430 | US9732037, Compound 2) Show SMILES Cc1cc(N)nc(COc2cccc(OCc3ccncc3)c2)c1 Show InChI InChI=1S/C19H19N3O2/c1-14-9-16(22-19(20)10-14)13-24-18-4-2-3-17(11-18)23-12-15-5-7-21-8-6-15/h2-11H,12-13H2,1H3,(H2,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.71E+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 recombinant mouse macrophage iNOS expressed in Escherichia coli using L-arginine as substrate assessed as formation of nitric oxide mea...				Bioorg Med Chem 21: 5323-31 (2013) Article DOI: 10.1016/j.bmc.2013.06.014 BindingDB Entry DOI: 10.7270/Q2PZ5B7N
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Bos taurus (bovine))	BDBM50438642 (CHEMBL2414432 | US9732037, Compound 3) Show SMILES Cc1cc(N)nc(COc2cccc(OCC3CCNCC3)c2)c1 Show InChI InChI=1S/C19H25N3O2/c1-14-9-16(22-19(20)10-14)13-24-18-4-2-3-17(11-18)23-12-15-5-7-21-8-6-15/h2-4,9-11,15,21H,5-8,12-13H2,1H3,(H2,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of recombinant bovine eNOS expressed in Escherichia coli using L-arginine as substrate assessed as formation of nitric oxide measured up t...				Bioorg Med Chem 21: 5323-31 (2013) Article DOI: 10.1016/j.bmc.2013.06.014 BindingDB Entry DOI: 10.7270/Q2PZ5B7N
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Bos taurus (bovine))	BDBM50438643 (CHEMBL2414430 | US9732037, Compound 2) Show SMILES Cc1cc(N)nc(COc2cccc(OCc3ccncc3)c2)c1 Show InChI InChI=1S/C19H19N3O2/c1-14-9-16(22-19(20)10-14)13-24-18-4-2-3-17(11-18)23-12-15-5-7-21-8-6-15/h2-11H,12-13H2,1H3,(H2,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.28E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of recombinant bovine eNOS expressed in Escherichia coli using L-arginine as substrate assessed as formation of nitric oxide measured up t...				Bioorg Med Chem 21: 5323-31 (2013) Article DOI: 10.1016/j.bmc.2013.06.014 BindingDB Entry DOI: 10.7270/Q2PZ5B7N
					More data for this Ligand-Target Pair