BDBM50493548 CHEMBL2431634

SMILES: O=C(Nc1ccncc1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2ccccc2c1

InChI Key: InChIKey=UKNZUDIREZYCAA-VWLOTQADSA-N

Data: 1 Kd

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 = 50493548   

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 14-alpha demethylase (CYP51) (Trypanosoma cruzi)	BDBM50493548 (CHEMBL2431634) Show SMILES O=C(Nc1ccncc1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C27H22N4O2/c32-26(20-10-9-18-5-1-2-6-19(18)15-20)31-25(27(33)30-22-11-13-28-14-12-22)16-21-17-29-24-8-4-3-7-23(21)24/h1-15,17,25,29H,16H2,(H,31,32)(H,28,30,33)/t25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a
Scripps Florida Curated by ChEMBL					Assay Description Binding affinity to recombinant Trypanosoma cruzi CYP51 expressed in Escherichia coli by UV-Vis spectrophotometric analysis				J Med Chem 56: 7651-68 (2013) Article DOI: 10.1021/jm401067s BindingDB Entry DOI: 10.7270/Q2TB19VT
					More data for this Ligand-Target Pair