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PubMed code 11248200

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
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)		BDBM50375575
PNG
(CHEMBL270493)
Show SMILES C[C@H](CCC(=O)NCCS(O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3CC[C@]12C)OS(O)(=O)=O
Show InChI InChI=1S/C26H45NO8S2/c1-17(4-9-24(28)27-14-15-36(29,30)31)21-7-8-22-20-6-5-18-16-19(35-37(32,33)34)10-12-25(18,2)23(20)11-13-26(21,22)3/h17-23H,4-16H2,1-3H3,(H,27,28)(H,29,30,31)(H,32,33,34)/t17-,18-,19-,20+,21-,22+,23+,25+,26-/m1/s1
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UniProtKB/SwissProt

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CHEMBL
KEGG
PC cid
PC sid
UniChem

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PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Taurocholate uptake (Taurocholate: 1 uM) in canalicular membrane vesicles from SD rat

Biochim Biophys Acta 1511: 7-16 (2001)


BindingDB Entry DOI: 10.7270/Q2KW5H4R
More data for this
Ligand-Target Pair
Bile salt export pump


(Rattus norvegicus)		BDBM50391001
PNG
(CHEMBL2074736)
Show SMILES C[C@H](CCC(=O)NCCS(O)(=O)=O)C1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3CC[C@]12C)OS(O)(=O)=O |r|
Show InChI InChI=1S/C26H45NO9S2/c1-16(4-7-23(29)27-12-13-37(30,31)32)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(36-38(33,34)35)14-17(25)15-22(24)28/h16-22,24,28H,4-15H2,1-3H3,(H,27,29)(H,30,31,32)(H,33,34,35)/t16-,17+,18-,19?,20+,21+,22-,24+,25+,26-/m1/s1
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UniProtKB/SwissProt

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CHEMBL
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PC cid
PC sid
UniChem

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PubMed
n/an/a 4.60E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Taurocholate uptake (Taurocholate: 1 uM) in canalicular membrane vesicles from SD rat

Biochim Biophys Acta 1511: 7-16 (2001)


BindingDB Entry DOI: 10.7270/Q2KW5H4R
More data for this
Ligand-Target Pair
Bile salt export pump


(Rattus norvegicus)		BDBM50375575
PNG
(CHEMBL270493)
Show SMILES C[C@H](CCC(=O)NCCS(O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3CC[C@]12C)OS(O)(=O)=O
Show InChI InChI=1S/C26H45NO8S2/c1-17(4-9-24(28)27-14-15-36(29,30)31)21-7-8-22-20-6-5-18-16-19(35-37(32,33)34)10-12-25(18,2)23(20)11-13-26(21,22)3/h17-23H,4-16H2,1-3H3,(H,27,28)(H,29,30,31)(H,32,33,34)/t17-,18-,19-,20+,21-,22+,23+,25+,26-/m1/s1
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UniProtKB/SwissProt

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CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 6.19E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Taurocholate uptake (Taurocholate: 1 uM) in membrane vesicles isolated from Bsep-expressing Sf9 cells

Biochim Biophys Acta 1511: 7-16 (2001)


BindingDB Entry DOI: 10.7270/Q2KW5H4R
More data for this
Ligand-Target Pair
Bile salt export pump


(Rattus norvegicus)		BDBM50391001
PNG
(CHEMBL2074736)
Show SMILES C[C@H](CCC(=O)NCCS(O)(=O)=O)C1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3CC[C@]12C)OS(O)(=O)=O |r|
Show InChI InChI=1S/C26H45NO9S2/c1-16(4-7-23(29)27-12-13-37(30,31)32)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(36-38(33,34)35)14-17(25)15-22(24)28/h16-22,24,28H,4-15H2,1-3H3,(H,27,29)(H,30,31,32)(H,33,34,35)/t16-,17+,18-,19?,20+,21+,22-,24+,25+,26-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 6.79E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Taurocholate uptake (Taurocholate: 1 uM) in membrane vesicles isolated from Bsep-expressing Sf9 cells

Biochim Biophys Acta 1511: 7-16 (2001)


BindingDB Entry DOI: 10.7270/Q2KW5H4R
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%