BDBM50356084 CHEMBL1911809

SMILES: CN(C)c1cccc(Oc2ncccc2C(=O)N[C@H](COCc2ccccc2)C(=O)N2CCN(C)CC2)c1

InChI Key: InChIKey=LALUAKJSHMCDSN-AREMUKBSSA-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 = 50356084   

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))	BDBM50356084 (CHEMBL1911809) Show SMILES CN(C)c1cccc(Oc2ncccc2C(=O)N[C@H](COCc2ccccc2)C(=O)N2CCN(C)CC2)c1 |r| Show InChI InChI=1S/C29H35N5O4/c1-32(2)23-11-7-12-24(19-23)38-28-25(13-8-14-30-28)27(35)31-26(21-37-20-22-9-5-4-6-10-22)29(36)34-17-15-33(3)16-18-34/h4-14,19,26H,15-18,20-21H2,1-3H3,(H,31,35)/t26-/m1/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	1.08E+3	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 consumed during enzyme-catalyzed reaction				Bioorg Med Chem Lett 21: 6773-7 (2011) Article DOI: 10.1016/j.bmcl.2011.09.037 BindingDB Entry DOI: 10.7270/Q2833SG2
					More data for this Ligand-Target Pair