BDBM50348746 CHEMBL1801058

SMILES: CC(C)c1nc2nccnc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12

InChI Key: InChIKey=PEWDIBHBYMLYOJ-UHFFFAOYSA-N

Data: 3 EC50

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 = 50348746   

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))	BDBM50348746 (CHEMBL1801058) Show SMILES CC(C)c1nc2nccnc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12 Show InChI InChI=1S/C18H15F2N5O/c1-9(2)17-24-16-18(22-6-5-21-16)25(17)8-10-7-13(26)23-15-11(10)3-4-12(19)14(15)20/h3-7,9H,8H2,1-2H3,(H,23,26)	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	n/a	n/a	850	n/a	n/a	n/a	n/a
Kalypsys, Inc Curated by ChEMBL					Assay Description Inhibition of human iNOS expressed in HEK293 cells assessed as inhibition of nitric oxide production after 18 hrs using 2,3-diaminonaphthalene by flu...				J Med Chem 53: 7739-55 (2010) Article DOI: 10.1021/jm100828n BindingDB Entry DOI: 10.7270/Q29Z9584
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50348746 (CHEMBL1801058) Show SMILES CC(C)c1nc2nccnc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12 Show InChI InChI=1S/C18H15F2N5O/c1-9(2)17-24-16-18(22-6-5-21-16)25(17)8-10-7-13(26)23-15-11(10)3-4-12(19)14(15)20/h3-7,9H,8H2,1-2H3,(H,23,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a
Kalypsys, Inc Curated by ChEMBL					Assay Description Inhibition of human eNOS expressed in HEK293 cells assessed as inhibition A23187 induced nitric oxide production incubated for 24 hrs measured after ...				J Med Chem 53: 7739-55 (2010) Article DOI: 10.1021/jm100828n BindingDB Entry DOI: 10.7270/Q29Z9584
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50348746 (CHEMBL1801058) Show SMILES CC(C)c1nc2nccnc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12 Show InChI InChI=1S/C18H15F2N5O/c1-9(2)17-24-16-18(22-6-5-21-16)25(17)8-10-7-13(26)23-15-11(10)3-4-12(19)14(15)20/h3-7,9H,8H2,1-2H3,(H,23,26)	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	n/a	n/a	610	n/a	n/a	n/a	n/a
Kalypsys, Inc Curated by ChEMBL					Assay Description Inhibition of human nNOS expressed in HEK293 cells assessed as inhibition ionomycin induced nitric oxide production incubated for 24 hrs measured aft...				J Med Chem 53: 7739-55 (2010) Article DOI: 10.1021/jm100828n BindingDB Entry DOI: 10.7270/Q29Z9584
					More data for this Ligand-Target Pair