BDBM50394821 CHEMBL2163835

SMILES: Clc1ccc(C[C@H](NC(=O)C2(CC2)c2ccc(Cl)cc2Cl)C(=O)N2CCNCC2)c(Cl)c1

InChI Key: InChIKey=RIJSQWHSYPOPOZ-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 = 50394821   

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
Ceramide glucosyltransferase (Homo sapiens (Human))	BDBM50394821 (CHEMBL2163835) Show SMILES Clc1ccc(C[C@H](NC(=O)C2(CC2)c2ccc(Cl)cc2Cl)C(=O)N2CCNCC2)c(Cl)c1 |r| Show InChI InChI=1S/C23H23Cl4N3O2/c24-15-2-1-14(18(26)12-15)11-20(21(31)30-9-7-28-8-10-30)29-22(32)23(5-6-23)17-4-3-16(25)13-19(17)27/h1-4,12-13,20,28H,5-11H2,(H,29,32)/t20-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Exelixis Curated by ChEMBL					Assay Description Inhibition of GCS assessed as amount of UDP glucose after 3 hrs by Fluorometry analysis				J Med Chem 55: 4322-35 (2012) Article DOI: 10.1021/jm300122u BindingDB Entry DOI: 10.7270/Q2MG7QMF
					More data for this Ligand-Target Pair