BDBM50375317 CHEMBL258892

SMILES: OC1CCN(CC1)C(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2cc(Cl)ccc2[nH]1

InChI Key: InChIKey=BAXOHAOVTUBOIA-SFHVURJKSA-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 = 50375317   

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
Sterol 14α-demethylase (CYP51) (Homo sapiens (Human))	BDBM50375317 (CHEMBL258892) Show SMILES OC1CCN(CC1)C(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2cc(Cl)ccc2[nH]1 Show InChI InChI=1S/C20H22ClN5O3/c21-13-1-2-16-12(7-13)8-17(24-16)19(28)25-18(9-14-10-22-11-23-14)20(29)26-5-3-15(27)4-6-26/h1-2,7-8,10-11,15,18,24,27H,3-6,9H2,(H,22,23)(H,25,28)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
ACT LLC Curated by ChEMBL					Assay Description Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay				Drug Metab Dispos 35: 493-500 (2007) Article DOI: 10.1124/dmd.106.013888 BindingDB Entry DOI: 10.7270/Q2DF6S2H
					More data for this Ligand-Target Pair