BDBM50172697 (4R,5R)-3,3-Dibutyl-7-dimethylamino-5-(6-hydroxy-naphthalen-2-yl)-1,1-dioxo-2,3,4,5-tetrahydro-1H-1lambda*6*-benzo[b]thiepin-4-ol::CHEMBL446700

SMILES: CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc2cc(O)ccc2c1)N(C)C

InChI Key: InChIKey=AFEIMMQLGGYXGO-FQLXRVMXSA-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 = 50172697   

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
Ileal bile acid transporter/bile acid cotransporter (Homo sapiens (Human))	BDBM50172697 ((4R,5R)-3,3-Dibutyl-7-dimethylamino-5-(6-hydroxy-n...) Show SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc2cc(O)ccc2c1)N(C)C Show InChI InChI=1S/C30H39NO4S/c1-5-7-15-30(16-8-6-2)20-36(34,35)27-14-12-24(31(3)4)19-26(27)28(29(30)33)23-10-9-22-18-25(32)13-11-21(22)17-23/h9-14,17-19,28-29,32-33H,5-8,15-16,20H2,1-4H3/t28-,29-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in baby hamster cells expressing human IBAT				J Med Chem 48: 5853-68 (2005) Article DOI: 10.1021/jm0402162 BindingDB Entry DOI: 10.7270/Q22V2GW2
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