BDBM50348421 CHEMBL1800953

SMILES: COC(=O)N1CCN(Cc2cc(F)cc(NC(=O)Nc3ccc(C)nc3)c2)CC1

InChI Key: InChIKey=SYVYFQFEFVZGJR-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50348421   

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
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50348421 (CHEMBL1800953) Show SMILES COC(=O)N1CCN(Cc2cc(F)cc(NC(=O)Nc3ccc(C)nc3)c2)CC1 Show InChI InChI=1S/C20H24FN5O3/c1-14-3-4-17(12-22-14)23-19(27)24-18-10-15(9-16(21)11-18)13-25-5-7-26(8-6-25)20(28)29-2/h3-4,9-12H,5-8,13H2,1-2H3,(H2,23,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of CYP1A2				ACS Med Chem Lett 1: 472-477 (2010) Article DOI: 10.1021/ml100138q BindingDB Entry DOI: 10.7270/Q2VX0GW4
					More data for this Ligand-Target Pair