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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Bile acid transporter' AND taxid = 10116   
Target
(Institution)
LigandTarget
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 acid transporter


(Rattus norvegicus)
BDBM50150325
PNG
(3-[4-(4-{[Benzyl-(3-methanesulfonylamino-2-methyl-...)
Show SMILES Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Oc2ccc(CCC(O)=O)cc2)cc1
Show InChI InChI=1S/C31H32N2O5S/c1-23-29(32-39(2,36)37)9-6-10-30(23)33(21-25-7-4-3-5-8-25)22-26-13-18-28(19-14-26)38-27-16-11-24(12-17-27)15-20-31(34)35/h3-14,16-19,32H,15,20-22H2,1-2H3,(H,34,35)
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]taurocholate uptake in rat hepatocytes


Citation and Details
More data for this
Ligand-Target Pair
Bile acid transporter


(Rattus norvegicus)
BDBM50150349
PNG
(CHEMBL266407 | Methanesulfonamide derivative)
Show SMILES C[C@@H](CCC(O)=O)[C@@H]1CC[C@@H]2[C@H]3[C@@H](O)C[C@H]4C[C@@H](CC[C@@]4(C)[C@@H]3C[C@@H](O)[C@@]12C)OCCNC(=O)CCc1ccc(Oc2ccc(CN(Cc3ccccc3)c3cccc(NS(C)(=O)=O)c3C)cc2)cc1
Show InChI InChI=1S/C57H75N3O9S/c1-37(14-27-54(64)65)46-24-25-47-55-48(34-52(62)57(46,47)4)56(3)29-28-45(32-42(56)33-51(55)61)68-31-30-58-53(63)26-19-39-15-20-43(21-16-39)69-44-22-17-41(18-23-44)36-60(35-40-10-7-6-8-11-40)50-13-9-12-49(38(50)2)59-70(5,66)67/h6-13,15-18,20-23,37,42,45-48,51-52,55,59,61-62H,14,19,24-36H2,1-5H3,(H,58,63)(H,64,65)/t37-,42+,45+,46-,47+,48+,51-,52+,55+,56+,57-/m0/s1
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PubMed
n/an/a 4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]taurocholate uptake in rat hepatocytes


Citation and Details
More data for this
Ligand-Target Pair
Bile acid transporter


(Rattus norvegicus)
BDBM50375594
PNG
(TAUROCHOLATE)
Show SMILES C[C@H](CCC(=O)NCCS(O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Show InChI InChI=1S/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1
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Purchase

MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 6.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]taurocholate uptake in rat hepatocytes


Citation and Details
More data for this
Ligand-Target Pair