BDBM50363266 CHEMBL1944721

SMILES: Fc1ccc2c(CN(Cc3ccccc3Cl)c3cnccn3)cc(=O)[nH]c2c1F

InChI Key: InChIKey=WICBSCNJNQTKEX-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50363266   

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, endothelial (Homo sapiens (Human))	BDBM50363266 (CHEMBL1944721) Show SMILES Fc1ccc2c(CN(Cc3ccccc3Cl)c3cnccn3)cc(=O)[nH]c2c1F Show InChI InChI=1S/C21H15ClF2N4O/c22-16-4-2-1-3-13(16)11-28(18-10-25-7-8-26-18)12-14-9-19(29)27-21-15(14)5-6-17(23)20(21)24/h1-10H,11-12H2,(H,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Afraxis Curated by ChEMBL					Assay Description Inhibition of human eNOS expressed in HEK293 cells assessed as NO production by 2,3-diaminonapthalene-based fluorescence assay				Bioorg Med Chem Lett 22: 1237-41 (2012) Article DOI: 10.1016/j.bmcl.2011.11.073 BindingDB Entry DOI: 10.7270/Q26W9BJ5
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50363266 (CHEMBL1944721) Show SMILES Fc1ccc2c(CN(Cc3ccccc3Cl)c3cnccn3)cc(=O)[nH]c2c1F Show InChI InChI=1S/C21H15ClF2N4O/c22-16-4-2-1-3-13(16)11-28(18-10-25-7-8-26-18)12-14-9-19(29)27-21-15(14)5-6-17(23)20(21)24/h1-10H,11-12H2,(H,27,29)	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	12	n/a	n/a	n/a	n/a	n/a	n/a
Afraxis Curated by ChEMBL					Assay Description Inhibition of human iNOS expressed in HEK293 cells assessed as NO production by 2,3-diaminonapthalene-based fluorescence assay				Bioorg Med Chem Lett 22: 1237-41 (2012) Article DOI: 10.1016/j.bmcl.2011.11.073 BindingDB Entry DOI: 10.7270/Q26W9BJ5
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50363266 (CHEMBL1944721) Show SMILES Fc1ccc2c(CN(Cc3ccccc3Cl)c3cnccn3)cc(=O)[nH]c2c1F Show InChI InChI=1S/C21H15ClF2N4O/c22-16-4-2-1-3-13(16)11-28(18-10-25-7-8-26-18)12-14-9-19(29)27-21-15(14)5-6-17(23)20(21)24/h1-10H,11-12H2,(H,27,29)	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	60	n/a	n/a	n/a	n/a	n/a	n/a
Afraxis Curated by ChEMBL					Assay Description Inhibition of human nNOS expressed in HEK293 cells assessed as NO production by 2,3-diaminonapthalene-based fluorescence assay				Bioorg Med Chem Lett 22: 1237-41 (2012) Article DOI: 10.1016/j.bmcl.2011.11.073 BindingDB Entry DOI: 10.7270/Q26W9BJ5
					More data for this Ligand-Target Pair