Identical Ligands in BindingDB

Found 4 hits Enzyme Inhibition Constant Data   

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   (422/422 = 100%)† (Rattus norvegicus (rat))	BDBM50449048 (CHEMBL3126213 | US9212144, 5 (Ex. 8)) Show SMILES Nc1ccc2ccc(CNCCc3cccc(F)c3)cc2n1 Show InChI InChI=1S/C18H18FN3/c19-16-3-1-2-13(10-16)8-9-21-12-14-4-5-15-6-7-18(20)22-17(15)11-14/h1-7,10-11,21H,8-9,12H2,(H2,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB US Patent	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University; The Regents of the University of California US Patent					Assay Description Recombinant NOS isozymes over-expressed in E. coli were utilized. (Ji, H., et al., Discovery of highly potent and selective inhibitors of neuronal ni...				US Patent US9090589 (2015) BindingDB Entry DOI: 10.7270/Q2QR4VW7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain   (422/422 = 100%)† (Rattus norvegicus (rat))	BDBM50449048 (CHEMBL3126213 | US9212144, 5 (Ex. 8)) Show SMILES Nc1ccc2ccc(CNCCc3cccc(F)c3)cc2n1 Show InChI InChI=1S/C18H18FN3/c19-16-3-1-2-13(10-16)8-9-21-12-14-4-5-15-6-7-18(20)22-17(15)11-14/h1-7,10-11,21H,8-9,12H2,(H2,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of rat recombinant nNOS expressed in Escherichia coli 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				3D Structure (crystal)
Nitric oxide synthase, brain   (422/422 = 100%)† (Rattus norvegicus (rat))	BDBM50449048 (CHEMBL3126213 | US9212144, 5 (Ex. 8)) Show SMILES Nc1ccc2ccc(CNCCc3cccc(F)c3)cc2n1 Show InChI InChI=1S/C18H18FN3/c19-16-3-1-2-13(10-16)8-9-21-12-14-4-5-15-6-7-18(20)22-17(15)11-14/h1-7,10-11,21H,8-9,12H2,(H2,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB US Patent	75	n/a	n/a	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   (409/422 = 97%)† (Homo sapiens (Human))	BDBM50449048 (CHEMBL3126213 | US9212144, 5 (Ex. 8)) Show SMILES Nc1ccc2ccc(CNCCc3cccc(F)c3)cc2n1 Show InChI InChI=1S/C18H18FN3/c19-16-3-1-2-13(10-16)8-9-21-12-14-4-5-15-6-7-18(20)22-17(15)11-14/h1-7,10-11,21H,8-9,12H2,(H2,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB US Patent	493	n/a	n/a	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)

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