BDBM159806 US9040518, 23

SMILES: CCCC[C@]1(CC)CS(=O)(=O)c2cc(CCC)c(OC)cc2[C@H](N1)c1ccccc1

InChI Key: InChIKey=DDVHNXVRSXXUKV-JWQCQUIFSA-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 = 159806   

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))	BDBM159806 (US9040518, 23) Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2cc(CCC)c(OC)cc2[C@H](N1)c1ccccc1 |r| Show InChI InChI=1S/C25H35NO3S/c1-5-8-15-25(7-3)18-30(27,28)23-16-20(12-6-2)22(29-4)17-21(23)24(26-25)19-13-10-9-11-14-19/h9-11,13-14,16-17,24,26H,5-8,12,15,18H2,1-4H3/t24-,25-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	25
GlaxoSmithKline LLC US Patent					Assay Description On the day of the uptake experiment, 10 mM HEPES was added to Hank's Balanced Salt Solution, and the pH was adjusted to 7.4 with TRIS (HBSSH). The as...				US Patent US9040518 (2015) BindingDB Entry DOI: 10.7270/Q2T72G58
					More data for this Ligand-Target Pair