BDBM50266602 CHEMBL4061701

SMILES: Cl.Cl.CNCc1cc(CCc2ccc3c(C)cc(N)nc3c2)cc(c1)C#N

InChI Key: InChIKey=RWCOIXDPXHFMEG-UHFFFAOYSA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50266602   

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))	BDBM50266602 (CHEMBL4061701) Show SMILES Cl.Cl.CNCc1cc(CCc2ccc3c(C)cc(N)nc3c2)cc(c1)C#N Show InChI InChI=1S/C21H22N4/c1-14-7-21(23)25-20-11-15(5-6-19(14)20)3-4-16-8-17(12-22)10-18(9-16)13-24-2/h5-11,24H,3-4,13H2,1-2H3,(H2,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	36	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 assessed as reduction in nitric oxide production using L-arginine as substrate measu...				J Med Chem 60: 3958-3978 (2017) Article DOI: 10.1021/acs.jmedchem.7b00259 BindingDB Entry DOI: 10.7270/Q2RV0R5D
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50266602 (CHEMBL4061701) Show SMILES Cl.Cl.CNCc1cc(CCc2ccc3c(C)cc(N)nc3c2)cc(c1)C#N Show InChI InChI=1S/C21H22N4/c1-14-7-21(23)25-20-11-15(5-6-19(14)20)3-4-16-8-17(12-22)10-18(9-16)13-24-2/h5-11,24H,3-4,13H2,1-2H3,(H2,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	56	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 human full-length nNOS expressed in Escherichia coli BL21(DE3) assessed as reduction in nitric oxide production using L-arg...				J Med Chem 60: 3958-3978 (2017) Article DOI: 10.1021/acs.jmedchem.7b00259 BindingDB Entry DOI: 10.7270/Q2RV0R5D
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50266602 (CHEMBL4061701) Show SMILES Cl.Cl.CNCc1cc(CCc2ccc3c(C)cc(N)nc3c2)cc(c1)C#N Show InChI InChI=1S/C21H22N4/c1-14-7-21(23)25-20-11-15(5-6-19(14)20)3-4-16-8-17(12-22)10-18(9-16)13-24-2/h5-11,24H,3-4,13H2,1-2H3,(H2,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.42E+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 assessed as reduction in nitric oxide production using L-arginine as su...				J Med Chem 60: 3958-3978 (2017) Article DOI: 10.1021/acs.jmedchem.7b00259 BindingDB Entry DOI: 10.7270/Q2RV0R5D
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50266602 (CHEMBL4061701) Show SMILES Cl.Cl.CNCc1cc(CCc2ccc3c(C)cc(N)nc3c2)cc(c1)C#N Show InChI InChI=1S/C21H22N4/c1-14-7-21(23)25-20-11-15(5-6-19(14)20)3-4-16-8-17(12-22)10-18(9-16)13-24-2/h5-11,24H,3-4,13H2,1-2H3,(H2,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.04E+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 human full-length eNOS expressed in Escherichia coli BL21(DE3) assessed as reduction in nitric oxide production using L-arg...				J Med Chem 60: 3958-3978 (2017) Article DOI: 10.1021/acs.jmedchem.7b00259 BindingDB Entry DOI: 10.7270/Q2RV0R5D
					More data for this Ligand-Target Pair