BDBM50375313 CHEMBL261013

SMILES: OC1CCN(CC1)C(=O)[C@H](Cc1cccnc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1

InChI Key: InChIKey=PSJYMXWDMNWMBL-FQEVSTJZSA-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 = 50375313   

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))	BDBM50375313 (CHEMBL261013) Show SMILES OC1CCN(CC1)C(=O)[C@H](Cc1cccnc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1 Show InChI InChI=1S/C22H23ClN4O3/c23-16-3-4-18-15(11-16)12-19(25-18)21(29)26-20(10-14-2-1-7-24-13-14)22(30)27-8-5-17(28)6-9-27/h1-4,7,11-13,17,20,25,28H,5-6,8-10H2,(H,26,29)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+4	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