BDBM50363260 CHEMBL1944715

SMILES: Fc1ccc2c(CN(c3cccc(Cl)c3)c3cccnn3)cc(=O)[nH]c2c1F

InChI Key: InChIKey=XDJFUQCMFHVESU-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 = 50363260   

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))	BDBM50363260 (CHEMBL1944715) Show SMILES Fc1ccc2c(CN(c3cccc(Cl)c3)c3cccnn3)cc(=O)[nH]c2c1F Show InChI InChI=1S/C20H13ClF2N4O/c21-13-3-1-4-14(10-13)27(17-5-2-8-24-26-17)11-12-9-18(28)25-20-15(12)6-7-16(22)19(20)23/h1-10H,11H2,(H,25,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+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))	BDBM50363260 (CHEMBL1944715) Show SMILES Fc1ccc2c(CN(c3cccc(Cl)c3)c3cccnn3)cc(=O)[nH]c2c1F Show InChI InChI=1S/C20H13ClF2N4O/c21-13-3-1-4-14(10-13)27(17-5-2-8-24-26-17)11-12-9-18(28)25-20-15(12)6-7-16(22)19(20)23/h1-10H,11H2,(H,25,28)	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	43	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))	BDBM50363260 (CHEMBL1944715) Show SMILES Fc1ccc2c(CN(c3cccc(Cl)c3)c3cccnn3)cc(=O)[nH]c2c1F Show InChI InChI=1S/C20H13ClF2N4O/c21-13-3-1-4-14(10-13)27(17-5-2-8-24-26-17)11-12-9-18(28)25-20-15(12)6-7-16(22)19(20)23/h1-10H,11H2,(H,25,28)	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	360	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