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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Bile salt export pump' and Ligand = 'BDBM50420205'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Bile salt export pump


(Rattus norvegicus)
BDBM50420205
PNG
(CHEMBL2074778)
Show SMILES Cc1c(C)c2OC(C)(COc3ccc(Cc4sc(=O)[nH]c4O)cc3)CCc2c(C)c1OS(O)(=O)=O
Show InChI InChI=1S/C24H27NO8S2/c1-13-14(2)21-18(15(3)20(13)33-35(28,29)30)9-10-24(4,32-21)12-31-17-7-5-16(6-8-17)11-19-22(26)25-23(27)34-19/h5-8,26H,9-12H2,1-4H3,(H,25,27)(H,28,29,30)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
n/an/a 400n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Taurocholate uptake (Taurocholate: 1 uM) in liver canalicular membrane vesicle from male rat


Toxicology 167: 83-98 (2001)


BindingDB Entry DOI: 10.7270/Q2HT2QKM
More data for this
Ligand-Target Pair
Bile salt export pump


(Rattus norvegicus)
BDBM50420205
PNG
(CHEMBL2074778)
Show SMILES Cc1c(C)c2OC(C)(COc3ccc(Cc4sc(=O)[nH]c4O)cc3)CCc2c(C)c1OS(O)(=O)=O
Show InChI InChI=1S/C24H27NO8S2/c1-13-14(2)21-18(15(3)20(13)33-35(28,29)30)9-10-24(4,32-21)12-31-17-7-5-16(6-8-17)11-19-22(26)25-23(27)34-19/h5-8,26H,9-12H2,1-4H3,(H,25,27)(H,28,29,30)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
n/an/a 600n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Taurocholate uptake (Taurocholate: 1 uM) in liver canalicular membrane vesicle from female rat


Toxicology 167: 83-98 (2001)


BindingDB Entry DOI: 10.7270/Q2HT2QKM
More data for this
Ligand-Target Pair