BDBM50159546 CHEMBL3786591

SMILES: [O-]C(=O)C(F)(F)F.COc1c(NC(=O)C(=O)c2ccc(OCC[N+]3(C)CCOCC3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C

InChI Key: InChIKey=ZESQDLOFJPYKET-UHFFFAOYSA-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 = 50159546   

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
Scavenger receptor class B member 1 (Homo sapiens (Human))	BDBM50159546 (CHEMBL3786591) Show SMILES [O-]C(=O)C(F)(F)F.COc1c(NC(=O)C(=O)c2ccc(OCC[N+]3(C)CCOCC3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C Show InChI InChI=1S/C31H39N3O7S.C2HF3O2/c1-31(2,3)21-19-25(29(39-5)26(20-21)33-42(6,37)38)32-30(36)28(35)24-11-12-27(23-10-8-7-9-22(23)24)41-18-15-34(4)13-16-40-17-14-34;3-2(4,5)1(6)7/h7-12,19-20,33H,13-18H2,1-6H3;(H,6,7)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human SR-B1 transiently expressed in human U2OS cells assessed as Dil-HDL uptake preincubated for 2 hrs followed by Dil-HDL addition me...				Bioorg Med Chem Lett 26: 1901-4 (2016) BindingDB Entry DOI: 10.7270/Q22R3TJ2
					More data for this Ligand-Target Pair