BDBM50348422 CHEMBL1800954

SMILES: COC(=O)N1CCN(Cc2cccc(NC(=O)Nc3ccc(C)nc3)c2)CC1

InChI Key: InChIKey=POGZGXAPKXAXJV-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 = 50348422   

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))	BDBM50348422 (CHEMBL1800954) Show SMILES COC(=O)N1CCN(Cc2cccc(NC(=O)Nc3ccc(C)nc3)c2)CC1 Show InChI InChI=1S/C20H25N5O3/c1-15-6-7-18(13-21-15)23-19(26)22-17-5-3-4-16(12-17)14-24-8-10-25(11-9-24)20(27)28-2/h3-7,12-13H,8-11,14H2,1-2H3,(H2,22,23,26)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank 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