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SMILES: [H][C@@]12CC[C@]3(C)[C@H](OC(=O)C=C3[C@@]1(C)[C@H](O)C[C@]1([H])C(C)(C)C(=O)CC[C@@]21C)c1ccoc1

InChI Key: InChIKey=BQDRKSSNLHIYIM-FGYUCKKHSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50442876   
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
Solute carrier organic anion transporter family member 1B3


(Homo sapiens (Human))
BDBM50442876
PNG
(CHEMBL3138664)
Show SMILES [H][C@@]12CC[C@]3(C)[C@H](OC(=O)C=C3[C@@]1(C)[C@H](O)C[C@]1([H])C(C)(C)C(=O)CC[C@@]21C)c1ccoc1 |r,c:10|
Show InChI InChI=1S/C26H34O5/c1-23(2)17-12-20(28)26(5)16(24(17,3)10-7-19(23)27)6-9-25(4)18(26)13-21(29)31-22(25)15-8-11-30-14-15/h8,11,13-14,16-17,20,22,28H,6-7,9-10,12H2,1-5H3/t16-,17+,20+,22+,24-,25-,26-/m0/s1
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2.55E+3n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Ki values for sodium fluorescein (10 uM) uptake in OATP1B3-transfected CHO cells


Mol Pharmacol 83: 1257-67 (2013)


Article DOI: 10.1124/mol.112.084152
BindingDB Entry DOI: 10.7270/Q2TB18BP
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 1B1


(Homo sapiens (Human))
BDBM50442876
PNG
(CHEMBL3138664)
Show SMILES [H][C@@]12CC[C@]3(C)[C@H](OC(=O)C=C3[C@@]1(C)[C@H](O)C[C@]1([H])C(C)(C)C(=O)CC[C@@]21C)c1ccoc1 |r,c:10|
Show InChI InChI=1S/C26H34O5/c1-23(2)17-12-20(28)26(5)16(24(17,3)10-7-19(23)27)6-9-25(4)18(26)13-21(29)31-22(25)15-8-11-30-14-15/h8,11,13-14,16-17,20,22,28H,6-7,9-10,12H2,1-5H3/t16-,17+,20+,22+,24-,25-,26-/m0/s1
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3.44E+3n/an/an/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
Ki values for sodium fluorescein (10 uM) uptake in OATP1B1-transfected CHO cells


Mol Pharmacol 83: 1257-67 (2013)


Article DOI: 10.1124/mol.112.084152
BindingDB Entry DOI: 10.7270/Q2TB18BP
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 1B1


(Homo sapiens (Human))
BDBM50442876
PNG
(CHEMBL3138664)
Show SMILES [H][C@@]12CC[C@]3(C)[C@H](OC(=O)C=C3[C@@]1(C)[C@H](O)C[C@]1([H])C(C)(C)C(=O)CC[C@@]21C)c1ccoc1 |r,c:10|
Show InChI InChI=1S/C26H34O5/c1-23(2)17-12-20(28)26(5)16(24(17,3)10-7-19(23)27)6-9-25(4)18(26)13-21(29)31-22(25)15-8-11-30-14-15/h8,11,13-14,16-17,20,22,28H,6-7,9-10,12H2,1-5H3/t16-,17+,20+,22+,24-,25-,26-/m0/s1
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n/an/a 6.31E+3n/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
pIC50 values for sodium fluorescein (10 uM) uptake in OATP1B1-transfected CHO cells


Mol Pharmacol 83: 1257-67 (2013)


Article DOI: 10.1124/mol.112.084152
BindingDB Entry DOI: 10.7270/Q2TB18BP
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 1B3


(Homo sapiens (Human))
BDBM50442876
PNG
(CHEMBL3138664)
Show SMILES [H][C@@]12CC[C@]3(C)[C@H](OC(=O)C=C3[C@@]1(C)[C@H](O)C[C@]1([H])C(C)(C)C(=O)CC[C@@]21C)c1ccoc1 |r,c:10|
Show InChI InChI=1S/C26H34O5/c1-23(2)17-12-20(28)26(5)16(24(17,3)10-7-19(23)27)6-9-25(4)18(26)13-21(29)31-22(25)15-8-11-30-14-15/h8,11,13-14,16-17,20,22,28H,6-7,9-10,12H2,1-5H3/t16-,17+,20+,22+,24-,25-,26-/m0/s1
UniProtKB/SwissProt

antibodypedia
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UniChem

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PubMed
n/an/a 3.31E+3n/an/an/an/an/an/a



KU Leuven

Curated by ChEMBL


Assay Description
pIC50 values for sodium fluorescein (10 uM) uptake in OATP1B3-transfected CHO cells


Mol Pharmacol 83: 1257-67 (2013)


Article DOI: 10.1124/mol.112.084152
BindingDB Entry DOI: 10.7270/Q2TB18BP
More data for this
Ligand-Target Pair