BindingDB logo
myBDB logout

null

SMILES: CCCCC1(CCCC)[C@H](O)[C@H](c2cccc(N)c2)c2cc(ccc2S(=O)(=O)N1C)N(C)C

InChI Key: InChIKey=GGDKNYPWJCZLCW-JWQCQUIFSA-N

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 = 50134412   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Ileal sodium/bile acid cotransporter


(Homo sapiens (Human))		BDBM50134412
PNG
((8R,9R)-9-(3-Amino-phenyl)-7,7-dibutyl-2-dimethyla...)
Show SMILES CCCCC1(CCCC)[C@H](O)[C@H](c2cccc(N)c2)c2cc(ccc2S(=O)(=O)N1C)N(C)C
Show InChI InChI=1S/C26H39N3O3S/c1-6-8-15-26(16-9-7-2)25(30)24(19-11-10-12-20(27)17-19)22-18-21(28(3)4)13-14-23(22)33(31,32)29(26)5/h10-14,17-18,24-25,30H,6-9,15-16,27H2,1-5H3/t24-,25-/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 320n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against uptake of [14C]-taurocholate in baby hamster kidney cells transfected with cDNA from human Apical Sodium-Codepen...

Bioorg Med Chem Lett 13: 3727-30 (2003)


BindingDB Entry DOI: 10.7270/Q2M044T4
More data for this
Ligand-Target Pair