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Compile Data Set for Download or QSAR

Found 189 hits with Last Name = 'ripp' and Initial = 'sl'   
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
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50004704
PNG
((+)-cis-Diltiazem | (2S,3S)-5-(2-(dimethylamino)et...)
Show SMILES COc1ccc(cc1)[C@@H]1Sc2ccccc2N(CCN(C)C)C(=O)[C@@H]1OC(C)=O
Show InChI InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m1/s1
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100n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4-mediated N-demethylation in human liver microsomes


J Med Chem 55: 4896-933 (2012)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM520
PNG
(1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[...)
Show SMILES CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1
Show InChI InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1
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170n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Time dependent inhibition of CYP3A4-mediated testosterone-6-beta hydroxylation in human liver microsome


J Med Chem 55: 4896-933 (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome P450 3A


(Homo sapiens (human))
BDBM577
PNG
((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...)
Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C25H35N3O6S/c1-18(2)15-28(35(31,32)22-10-8-20(26)9-11-22)16-24(29)23(14-19-6-4-3-5-7-19)27-25(30)34-21-12-13-33-17-21/h3-11,18,21,23-24,29H,12-17,26H2,1-2H3,(H,27,30)/t21-,23-,24+/m0/s1
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370n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Time dependent inhibition of CYP3A4-mediated testosterone-6-beta hydroxylation in human liver microsome


J Med Chem 55: 4896-933 (2012)

More data for this
Ligand-Target Pair
Cytochrome P450 2B6


(Homo sapiens (Human))
BDBM50397662
PNG
(CLOPIDOGREL)
Show SMILES COC(=O)[C@@H](N1CCc2sccc2C1)c1ccccc1Cl
Show InChI InChI=1S/C16H16ClNO2S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14/h2-5,7,9,15H,6,8,10H2,1H3/t15-/m0/s1
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500n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Time dependent inhibition of CYP2B6 in human liver microsomes


J Med Chem 55: 4896-933 (2012)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM519
PNG
((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1
Show InChI InChI=1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27+,30-,31-,32-,33+/m0/s1
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650n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Time dependent inhibition of CYP3A4-mediated testosterone-6-beta hydroxylation in human liver microsome


J Med Chem 55: 4896-933 (2012)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM578
PNG
((2S)-N-[(2S,4S,5S)-5-[2-(2,6-dimethylphenoxy)aceta...)
Show SMILES CC(C)[C@H](N1CCCNC1=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)COc1c(C)cccc1C)Cc1ccccc1
Show InChI InChI=1S/C37H48N4O5/c1-25(2)34(41-20-12-19-38-37(41)45)36(44)39-30(21-28-15-7-5-8-16-28)23-32(42)31(22-29-17-9-6-10-18-29)40-33(43)24-46-35-26(3)13-11-14-27(35)4/h5-11,13-18,25,30-32,34,42H,12,19-24H2,1-4H3,(H,38,45)(H,39,44)(H,40,43)/t30-,31-,32-,34-/m0/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Time dependent inhibition of CYP3A4-mediated testosterone-6-beta hydroxylation in human liver microsome


J Med Chem 55: 4896-933 (2012)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50069447
PNG
(1-(3-(4-(m-Chlorophenyl)-1-piperazinyl)propyl)-3-e...)
Show SMILES CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CCOc1ccccc1
Show InChI InChI=1S/C25H32ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20H,2,7,12-19H2,1H3
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1.00E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Time dependent inhibition of CYP3A4


J Med Chem 55: 4896-933 (2012)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50366785
PNG
(NELFINAVIR)
Show SMILES Cc1c(O)cccc1C(=O)N[C@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C
Show InChI InChI=1S/C32H45N3O4S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39)/t22-,23+,26+,27-,29+/m0/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Time dependent inhibition of CYP3A4-mediated testosterone-6-beta hydroxylation in human liver microsome


J Med Chem 55: 4896-933 (2012)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM5445
PNG
(CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...)
Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)
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1.70E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Time dependent inhibition of CYP3A4 in human liver microsomes assessed as quasi-irreversible complex formation


J Med Chem 55: 4896-933 (2012)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50117922
PNG
((1S,2S)-2-(2-((3-(1H-benzo[d]imidazol-2-yl)propyl)...)
Show SMILES COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C
Show InChI InChI=1S/C29H38FN3O3/c1-20(2)28-23-12-11-22(30)18-21(23)13-14-29(28,36-27(34)19-35-4)15-17-33(3)16-7-10-26-31-24-8-5-6-9-25(24)32-26/h5-6,8-9,11-12,18,20,28H,7,10,13-17,19H2,1-4H3,(H,31,32)/t28-,29-/m0/s1
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2.30E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Time dependent inhibition of CYP3A4


J Med Chem 55: 4896-933 (2012)

More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM85509
PNG
(CAS_55142-85-3 | NSC_5472 | Ticlopidine)
Show SMILES Clc1ccccc1CN1CCc2sccc2C1
Show InChI InChI=1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2
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3.30E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Time dependent inhibition of CYP2C19


J Med Chem 55: 4896-933 (2012)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM13216
PNG
(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)
Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
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PubMed
6.30E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Time dependent inhibition of CYP3A4 in human liver microsomes


J Med Chem 55: 4896-933 (2012)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM5446
PNG
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
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6.30E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Time dependent inhibition of CYP3A4


J Med Chem 55: 4896-933 (2012)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM19441
PNG
(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)
Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2
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9.90E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes


J Med Chem 55: 4896-933 (2012)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50318884
PNG
(CHEMBL1084546 | CHEMBL2430359 | N-methyl-N-(3-((2-...)
Show SMILES CN(c1ncccc1CNc1nc(Nc2ccc3NC(=O)Cc3c2)ncc1C(F)(F)F)S(C)(=O)=O
Show InChI InChI=1S/C21H20F3N7O3S/c1-31(35(2,33)34)19-12(4-3-7-25-19)10-26-18-15(21(22,23)24)11-27-20(30-18)28-14-5-6-16-13(8-14)9-17(32)29-16/h3-8,11H,9-10H2,1-2H3,(H,29,32)(H2,26,27,28,30)
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1.20E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Time dependent inhibition of CYP3A4 in human liver microsomes


J Med Chem 55: 4896-933 (2012)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM13530
PNG
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
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1.43E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4-mediated midazolam 1'-hydroxylation


J Med Chem 55: 4896-933 (2012)

More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50397662
PNG
(CLOPIDOGREL)
Show SMILES COC(=O)[C@@H](N1CCc2sccc2C1)c1ccccc1Cl
Show InChI InChI=1S/C16H16ClNO2S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14/h2-5,7,9,15H,6,8,10H2,1H3/t15-/m0/s1
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1.43E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Time dependent inhibition of CYP2C19


J Med Chem 55: 4896-933 (2012)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50397664
PNG
(CHEMBL2181816)
Show SMILES COc1cc(CC(O)=O)ccc1Oc1ccc2[nH]c(C)cc2c1NS(=O)(=O)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C24H20Cl2N2O6S/c1-13-9-16-18(27-13)5-7-20(34-19-6-3-14(11-23(29)30)10-21(19)33-2)24(16)28-35(31,32)22-8-4-15(25)12-17(22)26/h3-10,12,27-28H,11H2,1-2H3,(H,29,30)
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1.80E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes in presence of NADPH


J Med Chem 55: 4896-933 (2012)

More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50397663
PNG
(CHEMBL2181817)
Show SMILES Cc1ccc(C)c(OCCCC(C)(C)C(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)c1
Show InChI InChI=1S/C21H30O9/c1-11-6-7-12(2)13(10-11)28-9-5-8-21(3,4)20(27)30-19-16(24)14(22)15(23)17(29-19)18(25)26/h6-7,10,14-17,19,22-24H,5,8-9H2,1-4H3,(H,25,26)/t14-,15-,16+,17-,19-/m0/s1
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2.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Time dependent inhibition of CYP2C8 in human liver microsomes


J Med Chem 55: 4896-933 (2012)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50168724
PNG
(1-[(R)-2-[((1S,2S)-1-Amino-1,2,3,4-tetrahydro-naph...)
Show SMILES CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1CCc2ccccc2[C@H]1N)C1CCCCC1
Show InChI InChI=1S/C36H49ClN4O3/c1-35(2,3)40-34(44)36(26-10-5-4-6-11-26)19-21-41(22-20-36)33(43)30(23-24-13-16-27(37)17-14-24)39-32(42)29-18-15-25-9-7-8-12-28(25)31(29)38/h7-9,12-14,16-17,26,29-31H,4-6,10-11,15,18-23,38H2,1-3H3,(H,39,42)(H,40,44)/t29-,30+,31+/m0/s1
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2.30E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Time dependent inhibition of CYP3A4


J Med Chem 55: 4896-933 (2012)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50069447
PNG
(1-(3-(4-(m-Chlorophenyl)-1-piperazinyl)propyl)-3-e...)
Show SMILES CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CCOc1ccccc1
Show InChI InChI=1S/C25H32ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20H,2,7,12-19H2,1H3
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n/an/a 15n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Time dependent inhibition of CYP3A4 in human liver microsomes


J Med Chem 55: 4896-933 (2012)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50117922
PNG
((1S,2S)-2-(2-((3-(1H-benzo[d]imidazol-2-yl)propyl)...)
Show SMILES COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C
Show InChI InChI=1S/C29H38FN3O3/c1-20(2)28-23-12-11-22(30)18-21(23)13-14-29(28,36-27(34)19-35-4)15-17-33(3)16-7-10-26-31-24-8-5-6-9-25(24)32-26/h5-6,8-9,11-12,18,20,28H,7,10,13-17,19H2,1-4H3,(H,31,32)/t28-,29-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Reversible inhibition of CYP3A4


J Med Chem 55: 4896-933 (2012)

More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50069447
PNG
(1-(3-(4-(m-Chlorophenyl)-1-piperazinyl)propyl)-3-e...)
Show SMILES CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CCOc1ccccc1
Show InChI InChI=1S/C25H32ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20H,2,7,12-19H2,1H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of CYP3A4 in human liver microsomes


J Med Chem 55: 4896-933 (2012)

More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50397663
PNG
(CHEMBL2181817)
Show SMILES Cc1ccc(C)c(OCCCC(C)(C)C(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)c1
Show InChI InChI=1S/C21H30O9/c1-11-6-7-12(2)13(10-11)28-9-5-8-21(3,4)20(27)30-19-16(24)14(22)15(23)17(29-19)18(25)26/h6-7,10,14-17,19,22-24H,5,8-9H2,1-4H3,(H,25,26)/t14-,15-,16+,17-,19-/m0/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C8 in human liver microsomes in presence of NADPH


J Med Chem 55: 4896-933 (2012)

More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50110590
PNG
(2,2-Dimethyl-5-(2,5-dimethylphenoxy)valeriansaeure...)
Show SMILES Cc1ccc(C)c(OCCCC(C)(C)C(O)=O)c1
Show InChI InChI=1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17)
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n/an/a 4.10E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C8


J Med Chem 55: 4896-933 (2012)

More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50110590
PNG
(2,2-Dimethyl-5-(2,5-dimethylphenoxy)valeriansaeure...)
Show SMILES Cc1ccc(C)c(OCCCC(C)(C)C(O)=O)c1
Show InChI InChI=1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17)
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n/an/a 9.60E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Reversible inhibition of CYP2C9 in human liver microsomes


J Med Chem 55: 4896-933 (2012)

More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50397663
PNG
(CHEMBL2181817)
Show SMILES Cc1ccc(C)c(OCCCC(C)(C)C(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)c1
Show InChI InChI=1S/C21H30O9/c1-11-6-7-12(2)13(10-11)28-9-5-8-21(3,4)20(27)30-19-16(24)14(22)15(23)17(29-19)18(25)26/h6-7,10,14-17,19,22-24H,5,8-9H2,1-4H3,(H,25,26)/t14-,15-,16+,17-,19-/m0/s1
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n/an/a 2.80E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C8


J Med Chem 55: 4896-933 (2012)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50378137
PNG
(Ketek | TELITHROMYCIN)
Show SMILES CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCCn3cnc(c3)-c3cccnc3)C(=O)O[C@]12C)OC
Show InChI InChI=1S/C43H65N5O10/c1-12-33-43(8)37(48(41(53)58-43)19-14-13-18-47-23-31(45-24-47)30-16-15-17-44-22-30)27(4)34(49)25(2)21-42(7,54-11)38(28(5)35(50)29(6)39(52)56-33)57-40-36(51)32(46(9)10)20-26(3)55-40/h15-17,22-29,32-33,36-38,40,51H,12-14,18-21H2,1-11H3/t25-,26-,27+,28+,29-,32+,33-,36-,37-,38-,40+,42-,43-/m1/s1
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n/an/a 4.00E+4n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch-clamp assay


J Med Chem 52: 7446-57 (2009)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50299106
PNG
(3-Descladinosyl-11,12-dideoxy-6-Omethyl-3-oxo-12,1...)
Show SMILES CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(C3CN(C3)[C@H](C)c3ccnc4ncccc34)C(=O)O[C@]12C
Show InChI InChI=1S/C43H63N5O10/c1-12-32-43(9)36(48(41(53)58-43)28-20-47(21-28)27(7)29-15-17-45-38-30(29)14-13-16-44-38)24(4)33(49)22(2)19-42(8,54)37(25(5)34(50)26(6)39(52)56-32)57-40-35(51)31(46(10)11)18-23(3)55-40/h13-17,22-28,31-32,35-37,40,51,54H,12,18-21H2,1-11H3/t22-,23-,24+,25+,26-,27-,31+,32-,35-,36-,37-,40+,42-,43-/m1/s1
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n/an/a 4.30E+4n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch-clamp assay


J Med Chem 52: 7446-57 (2009)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50299108
PNG
(3-Descladinosyl-11,12-dideoxy-6-O-methyl-3-oxo-12,...)
Show SMILES CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(C3CN(Cc4c(O)cnc5cccnc45)C3)C(=O)O[C@]12C
Show InChI InChI=1S/C42H61N5O11/c1-11-31-42(8)36(47(40(53)58-42)26-18-46(19-26)20-27-30(48)17-44-28-13-12-14-43-32(27)28)23(4)33(49)21(2)16-41(7,54)37(24(5)34(50)25(6)38(52)56-31)57-39-35(51)29(45(9)10)15-22(3)55-39/h12-14,17,21-26,29,31,35-37,39,48,51,54H,11,15-16,18-20H2,1-10H3/t21-,22-,23+,24+,25-,29+,31-,35-,36-,37-,39+,41-,42-/m1/s1
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n/an/a 6.70E+4n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch-clamp assay


J Med Chem 52: 7446-57 (2009)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50299105
PNG
(3-Descladinosyl-11,12-dideoxy-6-O-methyl-3-oxo-12,...)
Show SMILES CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(C3CN(Cc4ccnc5ncccc45)C3)C(=O)O[C@]12C
Show InChI InChI=1S/C42H61N5O10/c1-11-31-42(8)35(47(40(52)57-42)28-20-46(21-28)19-27-14-16-44-37-29(27)13-12-15-43-37)24(4)32(48)22(2)18-41(7,53)36(25(5)33(49)26(6)38(51)55-31)56-39-34(50)30(45(9)10)17-23(3)54-39/h12-16,22-26,28,30-31,34-36,39,50,53H,11,17-21H2,1-10H3/t22-,23-,24+,25+,26-,30+,31-,34-,35-,36-,39+,41-,42-/m1/s1
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n/an/a 8.00E+4n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch-clamp assay


J Med Chem 52: 7446-57 (2009)

More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50110590
PNG
(2,2-Dimethyl-5-(2,5-dimethylphenoxy)valeriansaeure...)
Show SMILES Cc1ccc(C)c(OCCCC(C)(C)C(O)=O)c1
Show InChI InChI=1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17)
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n/an/a 9.50E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Reversible inhibition of CYP2C8 in human liver microsomes


J Med Chem 55: 4896-933 (2012)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50299107
PNG
(3-Descladinosyl-11,12-dideoxy-6-O-methyl-3-oxo-12,...)
Show SMILES CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(C3CN(Cc4c(O)cnc5ncccc45)C3)C(=O)O[C@]12C
Show InChI InChI=1S/C42H61N5O11/c1-11-31-42(8)35(47(40(53)58-42)26-18-46(19-26)20-28-27-13-12-14-43-37(27)44-17-30(28)48)23(4)32(49)21(2)16-41(7,54)36(24(5)33(50)25(6)38(52)56-31)57-39-34(51)29(45(9)10)15-22(3)55-39/h12-14,17,21-26,29,31,34-36,39,48,51,54H,11,15-16,18-20H2,1-10H3/t21-,22-,23+,24+,25-,29+,31-,34-,35-,36-,39+,41-,42-/m1/s1
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n/an/a 1.40E+5n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch-clamp assay


J Med Chem 52: 7446-57 (2009)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50299104
PNG
(3-Descladinosyl-11,12-dideoxy-6-O-methyl-3-oxo-12,...)
Show SMILES CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(C3CN(Cc4ccnc5cccnc45)C3)C(=O)O[C@]12C
Show InChI InChI=1S/C42H61N5O10/c1-11-31-42(8)36(47(40(52)57-42)28-20-46(21-28)19-27-14-16-43-29-13-12-15-44-32(27)29)24(4)33(48)22(2)18-41(7,53)37(25(5)34(49)26(6)38(51)55-31)56-39-35(50)30(45(9)10)17-23(3)54-39/h12-16,22-26,28,30-31,35-37,39,50,53H,11,17-21H2,1-10H3/t22-,23-,24+,25+,26-,30+,31-,35-,36-,37-,39+,41-,42-/m1/s1
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n/an/a 1.96E+5n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch-clamp assay


J Med Chem 52: 7446-57 (2009)

More data for this
Ligand-Target Pair
Thrombopoietin receptor


(Homo sapiens)
BDBM50219717
PNG
(CHEMBL246618 | N-(4-(3-bromophenyl)thiazol-2-yl)-4...)
Show SMILES Brc1cccc(c1)-c1csc(NC(=O)c2ccc(Nc3ccncn3)cc2)n1
Show InChI InChI=1S/C20H14BrN5OS/c21-15-3-1-2-14(10-15)17-11-28-20(25-17)26-19(27)13-4-6-16(7-5-13)24-18-8-9-22-12-23-18/h1-12H,(H,22,23,24)(H,25,26,27)
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n/an/an/an/a 645n/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Agonist activity at human TPOr expressed in BaF3 cells by reporter assay


Bioorg Med Chem Lett 17: 5447-54 (2007)

More data for this
Ligand-Target Pair
Thrombopoietin receptor


(Homo sapiens)
BDBM50219718
PNG
(CHEMBL248426 | N-(2-(2-fluoro-3-(trifluoromethyl)p...)
Show SMILES Fc1c(cccc1C(F)(F)F)-c1nc(NC(=O)c2ccc(Nc3ccncn3)cc2)co1
Show InChI InChI=1S/C21H13F4N5O2/c22-18-14(2-1-3-15(18)21(23,24)25)20-30-17(10-32-20)29-19(31)12-4-6-13(7-5-12)28-16-8-9-26-11-27-16/h1-11H,(H,29,31)(H,26,27,28)
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n/an/an/an/a 7.90E+3n/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Agonist activity at human TPOr expressed in BaF3 cells by reporter assay


Bioorg Med Chem Lett 17: 5447-54 (2007)

More data for this
Ligand-Target Pair
Thrombopoietin receptor


(Homo sapiens)
BDBM50219608
PNG
(CHEMBL249062 | N-(4-(3-chloro-2-fluorophenyl)thiaz...)
Show SMILES Fc1c(Cl)cccc1-c1csc(NC(=O)c2ccc(Nc3ccncn3)cc2)n1
Show InChI InChI=1S/C20H13ClFN5OS/c21-15-3-1-2-14(18(15)22)16-10-29-20(26-16)27-19(28)12-4-6-13(7-5-12)25-17-8-9-23-11-24-17/h1-11H,(H,23,24,25)(H,26,27,28)
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n/an/an/an/a 612n/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Agonist activity at human TPOr expressed in BaF3 cells by reporter assay


Bioorg Med Chem Lett 17: 5447-54 (2007)

More data for this
Ligand-Target Pair
Thrombopoietin receptor


(Homo sapiens)
BDBM50219609
PNG
(CHEMBL248434 | N-(3-(4-fluoro-3-(trifluoromethyl)p...)
Show SMILES CN(CCO)c1cc(Nc2ccc(cc2)C(=O)Nc2nc(ns2)-c2ccc(F)c(c2)C(F)(F)F)ncn1
Show InChI InChI=1S/C23H19F4N7O2S/c1-34(8-9-35)19-11-18(28-12-29-19)30-15-5-2-13(3-6-15)21(36)32-22-31-20(33-37-22)14-4-7-17(24)16(10-14)23(25,26)27/h2-7,10-12,35H,8-9H2,1H3,(H,28,29,30)(H,31,32,33,36)
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n/an/an/an/a 220n/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Agonist activity at human TPOr expressed in BaF3 cells by reporter assay


Bioorg Med Chem Lett 17: 5447-54 (2007)

More data for this
Ligand-Target Pair
Thrombopoietin receptor


(Homo sapiens)
BDBM50219610
PNG
(4-(1,2,4-triazin-3-ylamino)-N-(4-(2-fluoro-3-(trif...)
Show SMILES Fc1c(cccc1C(F)(F)F)-c1csc(NC(=O)c2ccc(Nc3nccnn3)cc2)n1
Show InChI InChI=1S/C20H12F4N6OS/c21-16-13(2-1-3-14(16)20(22,23)24)15-10-32-19(28-15)29-17(31)11-4-6-12(7-5-11)27-18-25-8-9-26-30-18/h1-10H,(H,25,27,30)(H,28,29,31)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Agonist activity at human TPOr expressed in BaF3 cells by reporter assay


Bioorg Med Chem Lett 17: 5447-54 (2007)

More data for this
Ligand-Target Pair
Thrombopoietin receptor


(Homo sapiens)
BDBM50219613
PNG
(CHEMBL248218 | N-(4-(2-fluoro-3-(trifluoromethyl)p...)
Show SMILES OC1CN(C1)c1cc(Nc2ccc(cc2)C(=O)Nc2nc(cs2)-c2cccc(c2F)C(F)(F)F)ncn1
Show InChI InChI=1S/C24H18F4N6O2S/c25-21-16(2-1-3-17(21)24(26,27)28)18-11-37-23(32-18)33-22(36)13-4-6-14(7-5-13)31-19-8-20(30-12-29-19)34-9-15(35)10-34/h1-8,11-12,15,35H,9-10H2,(H,29,30,31)(H,32,33,36)
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n/an/an/an/a 9n/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Agonist activity at human TPOr expressed in BaF3 cells by reporter assay


Bioorg Med Chem Lett 17: 5447-54 (2007)

More data for this
Ligand-Target Pair
Thrombopoietin receptor


(Homo sapiens)
BDBM50219614
PNG
(CHEMBL249672 | N-(3-(4-fluoro-3-(trifluoromethyl)p...)
Show SMILES CN(C(CO)NO)c1cc(Nc2ccc(cc2)C(=O)Nc2nc(ns2)-c2ccc(F)c(c2)C(F)(F)F)ncn1
Show InChI InChI=1S/C23H20F4N8O3S/c1-35(19(10-36)33-38)18-9-17(28-11-29-18)30-14-5-2-12(3-6-14)21(37)32-22-31-20(34-39-22)13-4-7-16(24)15(8-13)23(25,26)27/h2-9,11,19,33,36,38H,10H2,1H3,(H,28,29,30)(H,31,32,34,37)
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n/an/an/an/a 29n/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Agonist activity at human TPOr expressed in BaF3 cells by reporter assay


Bioorg Med Chem Lett 17: 5447-54 (2007)

More data for this
Ligand-Target Pair
Thrombopoietin receptor


(Homo sapiens)
BDBM50219612
PNG
(CHEMBL249061 | N-(4-(2,3-difluorophenyl)thiazol-2-...)
Show SMILES Fc1cccc(-c2csc(NC(=O)c3ccc(Nc4ccncn4)cc3)n2)c1F
Show InChI InChI=1S/C20H13F2N5OS/c21-15-3-1-2-14(18(15)22)16-10-29-20(26-16)27-19(28)12-4-6-13(7-5-12)25-17-8-9-23-11-24-17/h1-11H,(H,23,24,25)(H,26,27,28)
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n/an/an/an/a 415n/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Agonist activity at human TPOr expressed in BaF3 cells by reporter assay


Bioorg Med Chem Lett 17: 5447-54 (2007)

More data for this
Ligand-Target Pair
Thrombopoietin receptor


(Homo sapiens)
BDBM50219611
PNG
(4-(1,3,5-triazin-2-ylamino)-N-(4-(2-fluoro-3-(trif...)
Show SMILES Fc1c(cccc1C(F)(F)F)-c1csc(NC(=O)c2ccc(Nc3ncncn3)cc2)n1
Show InChI InChI=1S/C20H12F4N6OS/c21-16-13(2-1-3-14(16)20(22,23)24)15-8-32-19(29-15)30-17(31)11-4-6-12(7-5-11)28-18-26-9-25-10-27-18/h1-10H,(H,29,30,31)(H,25,26,27,28)
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n/an/an/an/a 540n/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Agonist activity at human TPOr expressed in BaF3 cells by reporter assay


Bioorg Med Chem Lett 17: 5447-54 (2007)

More data for this
Ligand-Target Pair
Thrombopoietin receptor


(Homo sapiens)
BDBM50219615
PNG
(CHEMBL247650 | N-(4-(2-fluoro-3-(trifluoromethyl)p...)
Show SMILES Fc1c(cccc1C(F)(F)F)-c1csc(NC(=O)c2ccc(Nc3ccccc3)cc2)n1
Show InChI InChI=1S/C23H15F4N3OS/c24-20-17(7-4-8-18(20)23(25,26)27)19-13-32-22(29-19)30-21(31)14-9-11-16(12-10-14)28-15-5-2-1-3-6-15/h1-13,28H,(H,29,30,31)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Agonist activity at human TPOr expressed in BaF3 cells by reporter assay


Bioorg Med Chem Lett 17: 5447-54 (2007)

More data for this
Ligand-Target Pair
Thrombopoietin receptor


(Homo sapiens)
BDBM50219616
PNG
(CHEMBL249063 | N-(4-(3-bromo-2-fluorophenyl)thiazo...)
Show SMILES Fc1c(Br)cccc1-c1csc(NC(=O)c2ccc(Nc3ccncn3)cc2)n1
Show InChI InChI=1S/C20H13BrFN5OS/c21-15-3-1-2-14(18(15)22)16-10-29-20(26-16)27-19(28)12-4-6-13(7-5-12)25-17-8-9-23-11-24-17/h1-11H,(H,23,24,25)(H,26,27,28)
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n/an/an/an/a 100n/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Agonist activity at human TPOr expressed in BaF3 cells by reporter assay


Bioorg Med Chem Lett 17: 5447-54 (2007)

More data for this
Ligand-Target Pair
Thrombopoietin receptor


(Homo sapiens)
BDBM50219618
PNG
(CHEMBL399768 | N-(1-(2-fluoro-3-(trifluoromethyl)p...)
Show SMILES Fc1c(cccc1C(F)(F)F)-n1ccc(NC(=O)c2ccc(Nc3ccncn3)cc2)n1
Show InChI InChI=1S/C21H14F4N6O/c22-19-15(21(23,24)25)2-1-3-16(19)31-11-9-18(30-31)29-20(32)13-4-6-14(7-5-13)28-17-8-10-26-12-27-17/h1-12H,(H,26,27,28)(H,29,30,32)
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n/an/an/an/a 1.40E+3n/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Agonist activity at human TPOr expressed in BaF3 cells by reporter assay


Bioorg Med Chem Lett 17: 5447-54 (2007)

More data for this
Ligand-Target Pair
Thrombopoietin receptor


(Homo sapiens)
BDBM50219623
PNG
(CHEMBL247198 | N-(3-phenyl-1,2,4-thiadiazol-5-yl)-...)
Show SMILES O=C(Nc1nc(ns1)-c1ccccc1)c1ccc(Nc2ccncn2)cc1
Show InChI InChI=1S/C19H14N6OS/c26-18(24-19-23-17(25-27-19)13-4-2-1-3-5-13)14-6-8-15(9-7-14)22-16-10-11-20-12-21-16/h1-12H,(H,20,21,22)(H,23,24,25,26)
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n/an/an/an/a 1.60E+3n/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Agonist activity at human TPOr expressed in BaF3 cells by reporter assay


Bioorg Med Chem Lett 17: 5447-54 (2007)

More data for this
Ligand-Target Pair
Thrombopoietin receptor


(Homo sapiens)
BDBM50219622
PNG
(CHEMBL429295 | N-(4-(2-fluoro-3-(trifluoromethoxy)...)
Show SMILES OC1CN(C1)c1cc(Nc2ccc(cc2)C(=O)Nc2nc(cs2)-c2cccc(OC(F)(F)F)c2F)ncn1
Show InChI InChI=1S/C24H18F4N6O3S/c25-21-16(2-1-3-18(21)37-24(26,27)28)17-11-38-23(32-17)33-22(36)13-4-6-14(7-5-13)31-19-8-20(30-12-29-19)34-9-15(35)10-34/h1-8,11-12,15,35H,9-10H2,(H,29,30,31)(H,32,33,36)
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n/an/an/an/a 7n/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Agonist activity at human TPOr expressed in BaF3 cells by reporter assay


Bioorg Med Chem Lett 17: 5447-54 (2007)

More data for this
Ligand-Target Pair
Thrombopoietin receptor


(Homo sapiens)
BDBM50219624
PNG
(CHEMBL247641 | N-(4-(5-chloro-2-methoxyphenyl)thia...)
Show SMILES COc1ccc(Cl)cc1-c1csc(NC(=O)c2ccc(Nc3ccncn3)cc2)n1
Show InChI InChI=1S/C21H16ClN5O2S/c1-29-18-7-4-14(22)10-16(18)17-11-30-21(26-17)27-20(28)13-2-5-15(6-3-13)25-19-8-9-23-12-24-19/h2-12H,1H3,(H,23,24,25)(H,26,27,28)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Agonist activity at human TPOr expressed in BaF3 cells by reporter assay


Bioorg Med Chem Lett 17: 5447-54 (2007)

More data for this
Ligand-Target Pair
Thrombopoietin receptor


(Homo sapiens)
BDBM50219619
PNG
(CHEMBL248428 | N-(3-(4-fluoro-3-(trifluoromethyl)p...)
Show SMILES OCCNc1cc(Nc2ccc(cc2)C(=O)Nc2nc(ns2)-c2ccc(F)c(c2)C(F)(F)F)ncn1
Show InChI InChI=1S/C22H17F4N7O2S/c23-16-6-3-13(9-15(16)22(24,25)26)19-31-21(36-33-19)32-20(35)12-1-4-14(5-2-12)30-18-10-17(27-7-8-34)28-11-29-18/h1-6,9-11,34H,7-8H2,(H2,27,28,29,30)(H,31,32,33,35)
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n/an/an/an/a 30n/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Agonist activity at human TPOr expressed in BaF3 cells by reporter assay


Bioorg Med Chem Lett 17: 5447-54 (2007)

More data for this
Ligand-Target Pair
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