BDBM50372219 CHEMBL257007

SMILES: CN(Cc1cc(Cl)ccc1C#N)C1CCN(Cc2ccccc2)CC1

InChI Key: InChIKey=DOFZOAMBMNJKJI-UHFFFAOYSA-N

Data: 4 IC50

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 = 50372219   

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, inducible (Homo sapiens (Human))	BDBM50372219 (CHEMBL257007) Show SMILES CN(Cc1cc(Cl)ccc1C#N)C1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C21H24ClN3/c1-24(16-19-13-20(22)8-7-18(19)14-23)21-9-11-25(12-10-21)15-17-5-3-2-4-6-17/h2-8,13,21H,9-12,15-16H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Inhibition of human iNOS expressed in human DLD1 cells after 1 hr				Bioorg Med Chem Lett 18: 336-43 (2008) Article DOI: 10.1016/j.bmcl.2007.10.073 BindingDB Entry DOI: 10.7270/Q2H9961Q
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50372219 (CHEMBL257007) Show SMILES CN(Cc1cc(Cl)ccc1C#N)C1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C21H24ClN3/c1-24(16-19-13-20(22)8-7-18(19)14-23)21-9-11-25(12-10-21)15-17-5-3-2-4-6-17/h2-8,13,21H,9-12,15-16H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Inhibition of cytokine-induced iNOS activity in human DLD1 cells after 24 hrs				Bioorg Med Chem Lett 18: 336-43 (2008) Article DOI: 10.1016/j.bmcl.2007.10.073 BindingDB Entry DOI: 10.7270/Q2H9961Q
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50372219 (CHEMBL257007) Show SMILES CN(Cc1cc(Cl)ccc1C#N)C1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C21H24ClN3/c1-24(16-19-13-20(22)8-7-18(19)14-23)21-9-11-25(12-10-21)15-17-5-3-2-4-6-17/h2-8,13,21H,9-12,15-16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Inhibition of human nNOS expressed in insect SF9 cells after 1 hr				Bioorg Med Chem Lett 18: 336-43 (2008) Article DOI: 10.1016/j.bmcl.2007.10.073 BindingDB Entry DOI: 10.7270/Q2H9961Q
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50372219 (CHEMBL257007) Show SMILES CN(Cc1cc(Cl)ccc1C#N)C1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C21H24ClN3/c1-24(16-19-13-20(22)8-7-18(19)14-23)21-9-11-25(12-10-21)15-17-5-3-2-4-6-17/h2-8,13,21H,9-12,15-16H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Inhibition of human eNOS expressed in insect SF9 cells after 1 hr				Bioorg Med Chem Lett 18: 336-43 (2008) Article DOI: 10.1016/j.bmcl.2007.10.073 BindingDB Entry DOI: 10.7270/Q2H9961Q
					More data for this Ligand-Target Pair