BDBM50371543 CHEMBL272091

SMILES: COc1cccc(OC[C@@H](O)[C@H]2OC(=O)N([C@@H]2c2ccc(O)cc2)c2ccc(F)cc2)c1

InChI Key: InChIKey=LCTFVVUQENWBFG-DNVJHFABSA-N

Data: 1 KI

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 = 50371543   

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
Niemann-Pick C1-like protein 1 (Rattus norvegicus)	BDBM50371543 (CHEMBL272091) Show SMILES COc1cccc(OC[C@@H](O)[C@H]2OC(=O)N([C@@H]2c2ccc(O)cc2)c2ccc(F)cc2)c1 Show InChI InChI=1S/C24H22FNO6/c1-30-19-3-2-4-20(13-19)31-14-21(28)23-22(15-5-11-18(27)12-6-15)26(24(29)32-23)17-9-7-16(25)8-10-17/h2-13,21-23,27-28H,14H2,1H3/t21-,22-,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane				Bioorg Med Chem Lett 18: 546-53 (2008) Article DOI: 10.1016/j.bmcl.2007.11.083 BindingDB Entry DOI: 10.7270/Q22F7P9P
					More data for this Ligand-Target Pair