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SMILES: CC(=O)O[C@@H]1C[C@@]2(C)[C@@H](C[C@H]3O[C@@]23[C@@]2(C)C1[C@@]1(C)C=CC(=O)C(C)(C)C1C(=O)C2=O)c1ccoc1

InChI Key: InChIKey=SCAGQTBCGKJURA-VNBNFIHGSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50442904   
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 1B1


(Homo sapiens (Human))
BDBM50442904
PNG
(CHEMBL3039417)
Show SMILES CC(=O)O[C@@H]1C[C@@]2(C)[C@@H](C[C@H]3O[C@@]23[C@@]2(C)C1[C@@]1(C)C=CC(=O)C(C)(C)C1C(=O)C2=O)c1ccoc1 |r,c:21|
Show InChI InChI=1S/C28H32O7/c1-14(29)34-17-12-26(5)16(15-8-10-33-13-15)11-19-28(26,35-19)27(6)21(17)25(4)9-7-18(30)24(2,3)22(25)20(31)23(27)32/h7-10,13,16-17,19,21-22H,11-12H2,1-6H3/t16-,17+,19+,21?,22?,25+,26-,27-,28+/m0/s1
UniProtKB/SwissProt

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1.65E+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 1B3


(Homo sapiens (Human))
BDBM50442904
PNG
(CHEMBL3039417)
Show SMILES CC(=O)O[C@@H]1C[C@@]2(C)[C@@H](C[C@H]3O[C@@]23[C@@]2(C)C1[C@@]1(C)C=CC(=O)C(C)(C)C1C(=O)C2=O)c1ccoc1 |r,c:21|
Show InChI InChI=1S/C28H32O7/c1-14(29)34-17-12-26(5)16(15-8-10-33-13-15)11-19-28(26,35-19)27(6)21(17)25(4)9-7-18(30)24(2,3)22(25)20(31)23(27)32/h7-10,13,16-17,19,21-22H,11-12H2,1-6H3/t16-,17+,19+,21?,22?,25+,26-,27-,28+/m0/s1
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2.64E+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 1B3


(Homo sapiens (Human))
BDBM50442904
PNG
(CHEMBL3039417)
Show SMILES CC(=O)O[C@@H]1C[C@@]2(C)[C@@H](C[C@H]3O[C@@]23[C@@]2(C)C1[C@@]1(C)C=CC(=O)C(C)(C)C1C(=O)C2=O)c1ccoc1 |r,c:21|
Show InChI InChI=1S/C28H32O7/c1-14(29)34-17-12-26(5)16(15-8-10-33-13-15)11-19-28(26,35-19)27(6)21(17)25(4)9-7-18(30)24(2,3)22(25)20(31)23(27)32/h7-10,13,16-17,19,21-22H,11-12H2,1-6H3/t16-,17+,19+,21?,22?,25+,26-,27-,28+/m0/s1
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n/an/a 3.47E+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
Solute carrier organic anion transporter family member 1B1


(Homo sapiens (Human))
BDBM50442904
PNG
(CHEMBL3039417)
Show SMILES CC(=O)O[C@@H]1C[C@@]2(C)[C@@H](C[C@H]3O[C@@]23[C@@]2(C)C1[C@@]1(C)C=CC(=O)C(C)(C)C1C(=O)C2=O)c1ccoc1 |r,c:21|
Show InChI InChI=1S/C28H32O7/c1-14(29)34-17-12-26(5)16(15-8-10-33-13-15)11-19-28(26,35-19)27(6)21(17)25(4)9-7-18(30)24(2,3)22(25)20(31)23(27)32/h7-10,13,16-17,19,21-22H,11-12H2,1-6H3/t16-,17+,19+,21?,22?,25+,26-,27-,28+/m0/s1
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n/an/a 3.02E+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