BDBM50348729 CHEMBL1801503

SMILES: Fc1ccc2c(Cn3c(nc4c(ccnc34)C(F)(F)F)C3CCC3)cc(=O)[nH]c2c1F

InChI Key: InChIKey=NFSSFKOELUCPHD-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 = 50348729   

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))	BDBM50348729 (CHEMBL1801503) Show SMILES Fc1ccc2c(Cn3c(nc4c(ccnc34)C(F)(F)F)C3CCC3)cc(=O)[nH]c2c1F Show InChI InChI=1S/C21H15F5N4O/c22-14-5-4-12-11(8-15(31)28-17(12)16(14)23)9-30-19(10-2-1-3-10)29-18-13(21(24,25)26)6-7-27-20(18)30/h4-8,10H,1-3,9H2,(H,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	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))	BDBM50348729 (CHEMBL1801503) Show SMILES Fc1ccc2c(Cn3c(nc4c(ccnc34)C(F)(F)F)C3CCC3)cc(=O)[nH]c2c1F Show InChI InChI=1S/C21H15F5N4O/c22-14-5-4-12-11(8-15(31)28-17(12)16(14)23)9-30-19(10-2-1-3-10)29-18-13(21(24,25)26)6-7-27-20(18)30/h4-8,10H,1-3,9H2,(H,28,31)	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	2.00E+3	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
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50348729 (CHEMBL1801503) Show SMILES Fc1ccc2c(Cn3c(nc4c(ccnc34)C(F)(F)F)C3CCC3)cc(=O)[nH]c2c1F Show InChI InChI=1S/C21H15F5N4O/c22-14-5-4-12-11(8-15(31)28-17(12)16(14)23)9-30-19(10-2-1-3-10)29-18-13(21(24,25)26)6-7-27-20(18)30/h4-8,10H,1-3,9H2,(H,28,31)	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	150	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