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))	BDBM152713 (4-methyl-6-[2-(6-{methyl[2-(methylamino)ethyl]amin...) Show SMILES CNCCN(C)c1cccc(CCc2cc(C)cc(N)n2)n1 Show InChI InChI=1S/C17H25N5/c1-13-11-15(20-16(18)12-13)8-7-14-5-4-6-17(21-14)22(3)10-9-19-2/h4-6,11-12,19H,7-10H2,1-3H3,(H2,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of rat recombinant nNOS expressed in Escherichia coli by oxyhemoglobin NO assay				J Med Chem 58: 5548-60 (2015) Article DOI: 10.1021/acs.jmedchem.5b00573 BindingDB Entry DOI: 10.7270/Q2319XN0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain   (422/422 = 100%)† (Rattus norvegicus (rat))	BDBM152713 (4-methyl-6-[2-(6-{methyl[2-(methylamino)ethyl]amin...) Show SMILES CNCCN(C)c1cccc(CCc2cc(C)cc(N)n2)n1 Show InChI InChI=1S/C17H25N5/c1-13-11-15(20-16(18)12-13)8-7-14-5-4-6-17(21-14)22(3)10-9-19-2/h4-6,11-12,19H,7-10H2,1-3H3,(H2,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astex					Assay Description The NOSs isoform assays involved subjecting 3-8 to an oxyhemoglobin NO capture assay using a Biotek Gen5™ microplate reader. IC50 values for each com...				J Med Chem 52: 379-88 (2009) BindingDB Entry DOI: 10.7270/Q21N83G1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain   (409/422 = 97%)† (Homo sapiens (Human))	BDBM152713 (4-methyl-6-[2-(6-{methyl[2-(methylamino)ethyl]amin...) Show SMILES CNCCN(C)c1cccc(CCc2cc(C)cc(N)n2)n1 Show InChI InChI=1S/C17H25N5/c1-13-11-15(20-16(18)12-13)8-7-14-5-4-6-17(21-14)22(3)10-9-19-2/h4-6,11-12,19H,7-10H2,1-3H3,(H2,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Astex					Assay Description The NOSs isoform assays involved subjecting 3-8 to an oxyhemoglobin NO capture assay using a Biotek Gen5™ microplate reader. IC50 values for each com...				J Med Chem 52: 379-88 (2009) BindingDB Entry DOI: 10.7270/Q21N83G1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain   (409/422 = 97%)† (Homo sapiens (Human))	BDBM152713 (4-methyl-6-[2-(6-{methyl[2-(methylamino)ethyl]amin...) Show SMILES CNCCN(C)c1cccc(CCc2cc(C)cc(N)n2)n1 Show InChI InChI=1S/C17H25N5/c1-13-11-15(20-16(18)12-13)8-7-14-5-4-6-17(21-14)22(3)10-9-19-2/h4-6,11-12,19H,7-10H2,1-3H3,(H2,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	64	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 recombinant nNOS expressed in Escherichia coli by oxyhemoglobin NO assay				J Med Chem 58: 5548-60 (2015) Article DOI: 10.1021/acs.jmedchem.5b00573 BindingDB Entry DOI: 10.7270/Q2319XN0
					More data for this Ligand-Target Pair				3D Structure (crystal)

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