Found 16 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Solute carrier organic anion transporter family member 1B1
(Homo sapiens (Human)) | BDBM50001839
(CHEMBL428647 | PACLITAXEL | taxol)Show SMILES CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 |r,wU:4.3,28.30,26.26,10.10,22.23,30.33,wD:23.37,8.45,44.49,46.51,12.12,c:5,(23.85,-5.1,;25.19,-4.32,;25.18,-2.78,;26.52,-5.08,;26.53,-6.61,;23.91,-8.14,;22.57,-8.89,;21.25,-8.11,;22.55,-10.43,;23.89,-11.22,;25.21,-10.45,;25.2,-11.99,;26.54,-11.23,;26.53,-12.77,;25.19,-13.53,;23.87,-12.75,;25.19,-15.05,;23.85,-15.82,;23.84,-17.36,;25.17,-18.14,;26.51,-17.37,;26.52,-15.82,;27.88,-10.47,;29.2,-11.23,;29.96,-12.57,;31.31,-11.81,;30.55,-10.47,;30.55,-8.91,;29.2,-8.13,;30.52,-7.35,;27.88,-8.91,;26.78,-10,;27.87,-7.37,;29.19,-6.59,;28.1,-12.3,;28.1,-13.84,;29.43,-14.62,;26.76,-14.61,;25.23,-8.91,;25.98,-7.57,;26.76,-8.91,;21.21,-11.18,;19.89,-10.4,;19.91,-8.87,;18.55,-11.16,;18.54,-12.7,;17.22,-10.38,;17.24,-8.84,;15.92,-8.06,;14.57,-8.82,;15.93,-6.52,;17.27,-5.78,;17.28,-4.24,;15.95,-3.46,;14.61,-4.23,;14.6,-5.76,;15.89,-11.14,;14.57,-10.36,;13.23,-11.11,;13.21,-12.65,;14.56,-13.43,;15.89,-12.67,)| Show InChI InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1 | PDB
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| 840 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£tsmedizin G£ttingen
Curated by ChEMBL
| Assay Description
Inhibition of human OATP1B1-mediated [3H]estrone 3-sulfate at after 5 mins by Dixon plot method |
Eur J Med Chem 92: 723-31 (2015)
Article DOI: 10.1016/j.ejmech.2015.01.011
BindingDB Entry DOI: 10.7270/Q2PV6N3X |
More data for this
Ligand-Target Pair | |
Solute carrier organic anion transporter family member 1B3
(Homo sapiens (Human)) | BDBM50001839
(CHEMBL428647 | PACLITAXEL | taxol)Show SMILES CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 |r,wU:4.3,28.30,26.26,10.10,22.23,30.33,wD:23.37,8.45,44.49,46.51,12.12,c:5,(23.85,-5.1,;25.19,-4.32,;25.18,-2.78,;26.52,-5.08,;26.53,-6.61,;23.91,-8.14,;22.57,-8.89,;21.25,-8.11,;22.55,-10.43,;23.89,-11.22,;25.21,-10.45,;25.2,-11.99,;26.54,-11.23,;26.53,-12.77,;25.19,-13.53,;23.87,-12.75,;25.19,-15.05,;23.85,-15.82,;23.84,-17.36,;25.17,-18.14,;26.51,-17.37,;26.52,-15.82,;27.88,-10.47,;29.2,-11.23,;29.96,-12.57,;31.31,-11.81,;30.55,-10.47,;30.55,-8.91,;29.2,-8.13,;30.52,-7.35,;27.88,-8.91,;26.78,-10,;27.87,-7.37,;29.19,-6.59,;28.1,-12.3,;28.1,-13.84,;29.43,-14.62,;26.76,-14.61,;25.23,-8.91,;25.98,-7.57,;26.76,-8.91,;21.21,-11.18,;19.89,-10.4,;19.91,-8.87,;18.55,-11.16,;18.54,-12.7,;17.22,-10.38,;17.24,-8.84,;15.92,-8.06,;14.57,-8.82,;15.93,-6.52,;17.27,-5.78,;17.28,-4.24,;15.95,-3.46,;14.61,-4.23,;14.6,-5.76,;15.89,-11.14,;14.57,-10.36,;13.23,-11.11,;13.21,-12.65,;14.56,-13.43,;15.89,-12.67,)| Show InChI InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1 | PDB
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| 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£tsmedizin G£ttingen
Curated by ChEMBL
| Assay Description
Inhibition of human OATP1B3-mediated [3H]CCK-8 after 5 mins by Dixon plot method |
Eur J Med Chem 92: 723-31 (2015)
Article DOI: 10.1016/j.ejmech.2015.01.011
BindingDB Entry DOI: 10.7270/Q2PV6N3X |
More data for this
Ligand-Target Pair | |
Solute carrier organic anion transporter family member 1B3
(Homo sapiens (Human)) | BDBM67690
(1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...)Show SMILES OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12 Show InChI InChI=1S/C22H28N4O6/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32/h1-4,23-30H,5-12H2 | PDB
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| 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£tsmedizin G£ttingen
Curated by ChEMBL
| Assay Description
Inhibition of human OATP1B3-mediated [3H]CCK-8 after 5 mins by Dixon plot method |
Eur J Med Chem 92: 723-31 (2015)
Article DOI: 10.1016/j.ejmech.2015.01.011
BindingDB Entry DOI: 10.7270/Q2PV6N3X |
More data for this
Ligand-Target Pair | |
Solute carrier organic anion transporter family member 1B1
(Homo sapiens (Human)) | BDBM50012278
((2ALPHA,2''BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLAS...)Show SMILES CC[C@]1(O)C[C@@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC |r,c:48| Show InChI InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37-,38+,39+,42-,43+,44+,45-,46-/m0/s1 | PDB
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| 1.02E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£tsmedizin G£ttingen
Curated by ChEMBL
| Assay Description
Inhibition of human OATP1B1-mediated [3H]estrone 3-sulfate at after 5 mins by Dixon plot method |
Eur J Med Chem 92: 723-31 (2015)
Article DOI: 10.1016/j.ejmech.2015.01.011
BindingDB Entry DOI: 10.7270/Q2PV6N3X |
More data for this
Ligand-Target Pair | |
Solute carrier organic anion transporter family member 1B3
(Homo sapiens (Human)) | BDBM50127140
((-)-etoposide | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-d...)Show SMILES COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)c2cc3OCOc3cc12 |r| Show InChI InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11-,15+,20-,21-,22+,24-,25-,26-,27-,29+/m1/s1 | PDB
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| 1.35E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£tsmedizin G£ttingen
Curated by ChEMBL
| Assay Description
Inhibition of human OATP1B3-mediated [3H]CCK-8 after 5 mins by Dixon plot method |
Eur J Med Chem 92: 723-31 (2015)
Article DOI: 10.1016/j.ejmech.2015.01.011
BindingDB Entry DOI: 10.7270/Q2PV6N3X |
More data for this
Ligand-Target Pair | |
Solute carrier organic anion transporter family member 1B3
(Homo sapiens (Human)) | BDBM50139772
(22-oxovincaleukoblastine | leurocristine | vincris...)Show SMILES CC[C@]1(O)C[C@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C=O)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC |r,c:49| Show InChI InChI=1S/C46H56N4O10/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3/t28-,37+,38-,39-,42+,43-,44-,45+,46+/m1/s1 | PDB
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| 1.76E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£tsmedizin G£ttingen
Curated by ChEMBL
| Assay Description
Inhibition of human OATP1B3-mediated [3H]CCK-8 after 5 mins by Dixon plot method |
Eur J Med Chem 92: 723-31 (2015)
Article DOI: 10.1016/j.ejmech.2015.01.011
BindingDB Entry DOI: 10.7270/Q2PV6N3X |
More data for this
Ligand-Target Pair | |
Solute carrier organic anion transporter family member 1B3
(Homo sapiens (Human)) | BDBM50012278
((2ALPHA,2''BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLAS...)Show SMILES CC[C@]1(O)C[C@@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC |r,c:48| Show InChI InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37-,38+,39+,42-,43+,44+,45-,46-/m0/s1 | PDB
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| 1.86E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£tsmedizin G£ttingen
Curated by ChEMBL
| Assay Description
Inhibition of human OATP1B3-mediated [3H]CCK-8 after 5 mins by Dixon plot method |
Eur J Med Chem 92: 723-31 (2015)
Article DOI: 10.1016/j.ejmech.2015.01.011
BindingDB Entry DOI: 10.7270/Q2PV6N3X |
More data for this
Ligand-Target Pair | |
Solute carrier organic anion transporter family member 1B3
(Homo sapiens (Human)) | BDBM50003677
(4-(p-bis(beta-chloroethyl)aminophenyl)butyric acid...)Show InChI InChI=1S/C14H19Cl2NO2/c15-8-10-17(11-9-16)13-6-4-12(5-7-13)2-1-3-14(18)19/h4-7H,1-3,8-11H2,(H,18,19) | PDB
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| 3.74E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£tsmedizin G£ttingen
Curated by ChEMBL
| Assay Description
Inhibition of human OATP1B3-mediated [3H]CCK-8 after 5 mins by Dixon plot method |
Eur J Med Chem 92: 723-31 (2015)
Article DOI: 10.1016/j.ejmech.2015.01.011
BindingDB Entry DOI: 10.7270/Q2PV6N3X |
More data for this
Ligand-Target Pair | |
Solute carrier organic anion transporter family member 1B3
(Homo sapiens (Human)) | BDBM50001839
(CHEMBL428647 | PACLITAXEL | taxol)Show SMILES CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 |r,wU:4.3,28.30,26.26,10.10,22.23,30.33,wD:23.37,8.45,44.49,46.51,12.12,c:5,(23.85,-5.1,;25.19,-4.32,;25.18,-2.78,;26.52,-5.08,;26.53,-6.61,;23.91,-8.14,;22.57,-8.89,;21.25,-8.11,;22.55,-10.43,;23.89,-11.22,;25.21,-10.45,;25.2,-11.99,;26.54,-11.23,;26.53,-12.77,;25.19,-13.53,;23.87,-12.75,;25.19,-15.05,;23.85,-15.82,;23.84,-17.36,;25.17,-18.14,;26.51,-17.37,;26.52,-15.82,;27.88,-10.47,;29.2,-11.23,;29.96,-12.57,;31.31,-11.81,;30.55,-10.47,;30.55,-8.91,;29.2,-8.13,;30.52,-7.35,;27.88,-8.91,;26.78,-10,;27.87,-7.37,;29.19,-6.59,;28.1,-12.3,;28.1,-13.84,;29.43,-14.62,;26.76,-14.61,;25.23,-8.91,;25.98,-7.57,;26.76,-8.91,;21.21,-11.18,;19.89,-10.4,;19.91,-8.87,;18.55,-11.16,;18.54,-12.7,;17.22,-10.38,;17.24,-8.84,;15.92,-8.06,;14.57,-8.82,;15.93,-6.52,;17.27,-5.78,;17.28,-4.24,;15.95,-3.46,;14.61,-4.23,;14.6,-5.76,;15.89,-11.14,;14.57,-10.36,;13.23,-11.11,;13.21,-12.65,;14.56,-13.43,;15.89,-12.67,)| Show InChI InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1 | PDB
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| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£tsmedizin G£ttingen
Curated by ChEMBL
| Assay Description
Inhibition of human OATP1B3-mediated [3H]CCK-8 after 5 mins by Dixon plot method |
Eur J Med Chem 92: 723-31 (2015)
Article DOI: 10.1016/j.ejmech.2015.01.011
BindingDB Entry DOI: 10.7270/Q2PV6N3X |
More data for this
Ligand-Target Pair | |
Solute carrier organic anion transporter family member 1B1
(Homo sapiens (Human)) | BDBM50001839
(CHEMBL428647 | PACLITAXEL | taxol)Show SMILES CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 |r,wU:4.3,28.30,26.26,10.10,22.23,30.33,wD:23.37,8.45,44.49,46.51,12.12,c:5,(23.85,-5.1,;25.19,-4.32,;25.18,-2.78,;26.52,-5.08,;26.53,-6.61,;23.91,-8.14,;22.57,-8.89,;21.25,-8.11,;22.55,-10.43,;23.89,-11.22,;25.21,-10.45,;25.2,-11.99,;26.54,-11.23,;26.53,-12.77,;25.19,-13.53,;23.87,-12.75,;25.19,-15.05,;23.85,-15.82,;23.84,-17.36,;25.17,-18.14,;26.51,-17.37,;26.52,-15.82,;27.88,-10.47,;29.2,-11.23,;29.96,-12.57,;31.31,-11.81,;30.55,-10.47,;30.55,-8.91,;29.2,-8.13,;30.52,-7.35,;27.88,-8.91,;26.78,-10,;27.87,-7.37,;29.19,-6.59,;28.1,-12.3,;28.1,-13.84,;29.43,-14.62,;26.76,-14.61,;25.23,-8.91,;25.98,-7.57,;26.76,-8.91,;21.21,-11.18,;19.89,-10.4,;19.91,-8.87,;18.55,-11.16,;18.54,-12.7,;17.22,-10.38,;17.24,-8.84,;15.92,-8.06,;14.57,-8.82,;15.93,-6.52,;17.27,-5.78,;17.28,-4.24,;15.95,-3.46,;14.61,-4.23,;14.6,-5.76,;15.89,-11.14,;14.57,-10.36,;13.23,-11.11,;13.21,-12.65,;14.56,-13.43,;15.89,-12.67,)| Show InChI InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1 | PDB
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| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£tsmedizin G£ttingen
Curated by ChEMBL
| Assay Description
Inhibition of human OATP1B1-mediated [3H]estrone 3-sulfate at after 5 mins by Dixon plot method |
Eur J Med Chem 92: 723-31 (2015)
Article DOI: 10.1016/j.ejmech.2015.01.011
BindingDB Entry DOI: 10.7270/Q2PV6N3X |
More data for this
Ligand-Target Pair | |
Solute carrier organic anion transporter family member 1B3
(Homo sapiens (Human)) | BDBM67690
(1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...)Show SMILES OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12 Show InChI InChI=1S/C22H28N4O6/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32/h1-4,23-30H,5-12H2 | PDB
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| n/a | n/a | 3.39E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£tsmedizin G£ttingen
Curated by ChEMBL
| Assay Description
Inhibition of human OATP1B3-mediated [3H]CCK-8 after 5 mins by Dixon plot method |
Eur J Med Chem 92: 723-31 (2015)
Article DOI: 10.1016/j.ejmech.2015.01.011
BindingDB Entry DOI: 10.7270/Q2PV6N3X |
More data for this
Ligand-Target Pair | |
Solute carrier organic anion transporter family member 1B3
(Homo sapiens (Human)) | BDBM50127140
((-)-etoposide | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-d...)Show SMILES COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)c2cc3OCOc3cc12 |r| Show InChI InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11-,15+,20-,21-,22+,24-,25-,26-,27-,29+/m1/s1 | PDB
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| n/a | n/a | 4.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£tsmedizin G£ttingen
Curated by ChEMBL
| Assay Description
Inhibition of human OATP1B3-mediated [3H]CCK-8 after 5 mins by Dixon plot method |
Eur J Med Chem 92: 723-31 (2015)
Article DOI: 10.1016/j.ejmech.2015.01.011
BindingDB Entry DOI: 10.7270/Q2PV6N3X |
More data for this
Ligand-Target Pair | |
Solute carrier organic anion transporter family member 1B3
(Homo sapiens (Human)) | BDBM50139772
(22-oxovincaleukoblastine | leurocristine | vincris...)Show SMILES CC[C@]1(O)C[C@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C=O)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC |r,c:49| Show InChI InChI=1S/C46H56N4O10/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3/t28-,37+,38-,39-,42+,43-,44-,45+,46+/m1/s1 | PDB
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| n/a | n/a | 3.68E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£tsmedizin G£ttingen
Curated by ChEMBL
| Assay Description
Inhibition of human OATP1B3-mediated [3H]CCK-8 after 5 mins by Dixon plot method |
Eur J Med Chem 92: 723-31 (2015)
Article DOI: 10.1016/j.ejmech.2015.01.011
BindingDB Entry DOI: 10.7270/Q2PV6N3X |
More data for this
Ligand-Target Pair | |
Solute carrier organic anion transporter family member 1B3
(Homo sapiens (Human)) | BDBM50012278
((2ALPHA,2''BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLAS...)Show SMILES CC[C@]1(O)C[C@@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC |r,c:48| Show InChI InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37-,38+,39+,42-,43+,44+,45-,46-/m0/s1 | PDB
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| n/a | n/a | 4.35E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£tsmedizin G£ttingen
Curated by ChEMBL
| Assay Description
Inhibition of human OATP1B3-mediated [3H]CCK-8 after 5 mins by Dixon plot method |
Eur J Med Chem 92: 723-31 (2015)
Article DOI: 10.1016/j.ejmech.2015.01.011
BindingDB Entry DOI: 10.7270/Q2PV6N3X |
More data for this
Ligand-Target Pair | |
Solute carrier organic anion transporter family member 1B1
(Homo sapiens (Human)) | BDBM50012278
((2ALPHA,2''BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLAS...)Show SMILES CC[C@]1(O)C[C@@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC |r,c:48| Show InChI InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37-,38+,39+,42-,43+,44+,45-,46-/m0/s1 | PDB
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| n/a | n/a | 4.68E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£tsmedizin G£ttingen
Curated by ChEMBL
| Assay Description
Inhibition of human OATP1B1-mediated [3H]estrone 3-sulfate at after 5 mins by Dixon plot method |
Eur J Med Chem 92: 723-31 (2015)
Article DOI: 10.1016/j.ejmech.2015.01.011
BindingDB Entry DOI: 10.7270/Q2PV6N3X |
More data for this
Ligand-Target Pair | |
Solute carrier organic anion transporter family member 1B3
(Homo sapiens (Human)) | BDBM50003677
(4-(p-bis(beta-chloroethyl)aminophenyl)butyric acid...)Show InChI InChI=1S/C14H19Cl2NO2/c15-8-10-17(11-9-16)13-6-4-12(5-7-13)2-1-3-14(18)19/h4-7H,1-3,8-11H2,(H,18,19) | PDB
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| n/a | n/a | 8.07E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£tsmedizin G£ttingen
Curated by ChEMBL
| Assay Description
Inhibition of human OATP1B3-mediated [3H]CCK-8 after 5 mins by Dixon plot method |
Eur J Med Chem 92: 723-31 (2015)
Article DOI: 10.1016/j.ejmech.2015.01.011
BindingDB Entry DOI: 10.7270/Q2PV6N3X |
More data for this
Ligand-Target Pair | |
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