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SMILES: Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1N=Nc1cccc(-c2cccc(c2)C(O)=O)c1O

InChI Key: InChIKey=SVOQIEJWJCQGDQ-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50248106   
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 2B1


(Homo sapiens (Human))
BDBM50248106
PNG
(CHEMBL461101 | ELTROMBOPAG | Eltrombopag olamine)
Show SMILES Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1N=Nc1cccc(-c2cccc(c2)C(O)=O)c1O |w:16.18|
Show InChI InChI=1S/C25H22N4O4/c1-14-10-11-19(12-15(14)2)29-24(31)22(16(3)28-29)27-26-21-9-5-8-20(23(21)30)17-6-4-7-18(13-17)25(32)33/h4-13,28,30H,1-3H3,(H,32,33)
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8.48E+3n/an/an/an/an/an/an/an/a



Kanazawa University

Curated by ChEMBL


Assay Description
Inhibition of OATP2B1-mediated [3H]estrone-3-sulfate uptake in human OATP2B1 expressing HEK293/PDZK1 cells by scintillation counting


Drug Metab Dispos 39: 1088-96 (2011)


Article DOI: 10.1124/dmd.110.037960
BindingDB Entry DOI: 10.7270/Q2RB76BH
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 1B1


(Homo sapiens (Human))
BDBM50248106
PNG
(CHEMBL461101 | ELTROMBOPAG | Eltrombopag olamine)
Show SMILES Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1N=Nc1cccc(-c2cccc(c2)C(O)=O)c1O |w:16.18|
Show InChI InChI=1S/C25H22N4O4/c1-14-10-11-19(12-15(14)2)29-24(31)22(16(3)28-29)27-26-21-9-5-8-20(23(21)30)17-6-4-7-18(13-17)25(32)33/h4-13,28,30H,1-3H3,(H,32,33)
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1.49E+4n/an/an/an/an/an/an/an/a



Kanazawa University

Curated by ChEMBL


Assay Description
Inhibition of OATP1B1-mediated [3H]estrone-3-sulfate uptake in human OATP1B1 expressing HEK293/PDZK1 cells by scintillation counting


Drug Metab Dispos 39: 1088-96 (2011)


Article DOI: 10.1124/dmd.110.037960
BindingDB Entry DOI: 10.7270/Q2RB76BH
More data for this
Ligand-Target Pair
Solute carrier organic anion transporter family member 1B3


(Homo sapiens (Human))
BDBM50248106
PNG
(CHEMBL461101 | ELTROMBOPAG | Eltrombopag olamine)
Show SMILES Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1N=Nc1cccc(-c2cccc(c2)C(O)=O)c1O |w:16.18|
Show InChI InChI=1S/C25H22N4O4/c1-14-10-11-19(12-15(14)2)29-24(31)22(16(3)28-29)27-26-21-9-5-8-20(23(21)30)17-6-4-7-18(13-17)25(32)33/h4-13,28,30H,1-3H3,(H,32,33)
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2.56E+4n/an/an/an/an/an/an/an/a



Kanazawa University

Curated by ChEMBL


Assay Description
Inhibition of OATP1B3-mediated [3H]estradiol 17beta-glucuronide uptake in human OATP1B3 expressing HEK293/PDZK1 cells by scintillation counting


Drug Metab Dispos 39: 1088-96 (2011)


Article DOI: 10.1124/dmd.110.037960
BindingDB Entry DOI: 10.7270/Q2RB76BH
More data for this
Ligand-Target Pair
Solute carrier family 22 member 1


(Homo sapiens (Human))
BDBM50248106
PNG
(CHEMBL461101 | ELTROMBOPAG | Eltrombopag olamine)
Show SMILES Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1N=Nc1cccc(-c2cccc(c2)C(O)=O)c1O |w:16.18|
Show InChI InChI=1S/C25H22N4O4/c1-14-10-11-19(12-15(14)2)29-24(31)22(16(3)28-29)27-26-21-9-5-8-20(23(21)30)17-6-4-7-18(13-17)25(32)33/h4-13,28,30H,1-3H3,(H,32,33)
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1.03E+5n/an/an/an/an/an/an/an/a



Kanazawa University

Curated by ChEMBL


Assay Description
Inhibition of OCT1-mediated [14C]tetraethylammonium uptake in human OCT1 expressing HEK293/PDZK1 cells by scintillation counting


Drug Metab Dispos 39: 1088-96 (2011)


Article DOI: 10.1124/dmd.110.037960
BindingDB Entry DOI: 10.7270/Q2RB76BH
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50248106
PNG
(CHEMBL461101 | ELTROMBOPAG | Eltrombopag olamine)
Show SMILES Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1N=Nc1cccc(-c2cccc(c2)C(O)=O)c1O |w:16.18|
Show InChI InChI=1S/C25H22N4O4/c1-14-10-11-19(12-15(14)2)29-24(31)22(16(3)28-29)27-26-21-9-5-8-20(23(21)30)17-6-4-7-18(13-17)25(32)33/h4-13,28,30H,1-3H3,(H,32,33)
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n/an/a 3.16E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of fast sodium current (INa) in HEK293 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platform


J Pharmacol Toxicol Methods 70: 246-54 (2014)


Article DOI: 10.1016/j.vascn.2014.07.002
BindingDB Entry DOI: 10.7270/Q2J104W7
More data for this
Ligand-Target Pair
Thrombopoietin receptor


(Homo sapiens (Human))
BDBM50248106
PNG
(CHEMBL461101 | ELTROMBOPAG | Eltrombopag olamine)
Show SMILES Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1N=Nc1cccc(-c2cccc(c2)C(O)=O)c1O |w:16.18|
Show InChI InChI=1S/C25H22N4O4/c1-14-10-11-19(12-15(14)2)29-24(31)22(16(3)28-29)27-26-21-9-5-8-20(23(21)30)17-6-4-7-18(13-17)25(32)33/h4-13,28,30H,1-3H3,(H,32,33)
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n/an/an/an/a 38n/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Agonist activity at human thrombopoietin receptor expressed in mouse Ba/F3 cells by kinase activation based reporter gene assay


Bioorg Med Chem Lett 18: 5259-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.077
BindingDB Entry DOI: 10.7270/Q2ZP45ZB
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GSC2


(Saccharomyces cerevisiae)
BDBM50248106
PNG
(CHEMBL461101 | ELTROMBOPAG | Eltrombopag olamine)
Show SMILES Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1N=Nc1cccc(-c2cccc(c2)C(O)=O)c1O |w:16.18|
Show InChI InChI=1S/C25H22N4O4/c1-14-10-11-19(12-15(14)2)29-24(31)22(16(3)28-29)27-26-21-9-5-8-20(23(21)30)17-6-4-7-18(13-17)25(32)33/h4-13,28,30H,1-3H3,(H,32,33)
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n/an/a 690n/an/an/an/an/an/a



School of Medicine of University of Electronic Science and Technology of China

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel tail current


Bioorg Med Chem 24: 1419-30 (2016)


Article DOI: 10.1016/j.bmc.2016.02.030
BindingDB Entry DOI: 10.7270/Q22N5444
More data for this
Ligand-Target Pair
Thrombopoietin receptor


(Homo sapiens (Human))
BDBM50248106
PNG
(CHEMBL461101 | ELTROMBOPAG | Eltrombopag olamine)
Show SMILES Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1N=Nc1cccc(-c2cccc(c2)C(O)=O)c1O |w:16.18|
Show InChI InChI=1S/C25H22N4O4/c1-14-10-11-19(12-15(14)2)29-24(31)22(16(3)28-29)27-26-21-9-5-8-20(23(21)30)17-6-4-7-18(13-17)25(32)33/h4-13,28,30H,1-3H3,(H,32,33)
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n/an/an/an/a 38n/an/an/an/a



Genomics Institute of the Novartis Research Foundation (GNF)

Curated by ChEMBL


Assay Description
Agonist activity at human thrombopoietin receptor in Ba/F3 cells assessed as activation of Stat5 response element-driven reporter gene expression


Bioorg Med Chem Lett 18: 5255-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.068
BindingDB Entry DOI: 10.7270/Q2HH6M05
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM50248106
PNG
(CHEMBL461101 | ELTROMBOPAG | Eltrombopag olamine)
Show SMILES Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1N=Nc1cccc(-c2cccc(c2)C(O)=O)c1O |w:16.18|
Show InChI InChI=1S/C25H22N4O4/c1-14-10-11-19(12-15(14)2)29-24(31)22(16(3)28-29)27-26-21-9-5-8-20(23(21)30)17-6-4-7-18(13-17)25(32)33/h4-13,28,30H,1-3H3,(H,32,33)
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n/an/a 8.27E+3n/an/an/an/an/an/a



Institut Pasteur Korea



Assay Description
Ten-point DRCs were generated for each drug. Vero cells were seeded at 1.2 × 104 cells per well in DMEM, supplemented with 2% FBS and 1× ...


Antimicrob Agents Chemother 64: (2020)


Article DOI: 10.1128/AAC.00819-20
BindingDB Entry DOI: 10.7270/Q22N54QR
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM50248106
PNG
(CHEMBL461101 | ELTROMBOPAG | Eltrombopag olamine)
Show SMILES Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1N=Nc1cccc(-c2cccc(c2)C(O)=O)c1O |w:16.18|
Show InChI InChI=1S/C25H22N4O4/c1-14-10-11-19(12-15(14)2)29-24(31)22(16(3)28-29)27-26-21-9-5-8-20(23(21)30)17-6-4-7-18(13-17)25(32)33/h4-13,28,30H,1-3H3,(H,32,33)
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n/an/a 2.15E+4n/an/an/an/an/an/a



National Institutes of Health



Assay Description
The 3CLpro enzyme assay was developed in 384-well black, medium binding microplates (Greiner Bio-One, Monroe, NC, USA) with a total volume of 20 _...


bioRxiv (2020)


Article DOI: 10.1101/2020.07.17.207019
BindingDB Entry DOI: 10.7270/Q20G3NJM
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM50248106
PNG
(CHEMBL461101 | ELTROMBOPAG | Eltrombopag olamine)
Show SMILES Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1N=Nc1cccc(-c2cccc(c2)C(O)=O)c1O |w:16.18|
Show InChI InChI=1S/C25H22N4O4/c1-14-10-11-19(12-15(14)2)29-24(31)22(16(3)28-29)27-26-21-9-5-8-20(23(21)30)17-6-4-7-18(13-17)25(32)33/h4-13,28,30H,1-3H3,(H,32,33)
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n/an/an/an/a 8.91E+3n/an/an/an/a



National Institutes of Health



Assay Description
SARS-CoV-2 CPE assay was conducted at Southern Research Institute (Birmingham, AL) as described in previous reports30, 31. In brief, high ACE2 expres...


bioRxiv (2020)


Article DOI: 10.1101/2020.07.17.207019
BindingDB Entry DOI: 10.7270/Q20G3NJM
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM50248106
PNG
(CHEMBL461101 | ELTROMBOPAG | Eltrombopag olamine)
Show SMILES Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1N=Nc1cccc(-c2cccc(c2)C(O)=O)c1O |w:16.18|
Show InChI InChI=1S/C25H22N4O4/c1-14-10-11-19(12-15(14)2)29-24(31)22(16(3)28-29)27-26-21-9-5-8-20(23(21)30)17-6-4-7-18(13-17)25(32)33/h4-13,28,30H,1-3H3,(H,32,33)
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n/an/a 2.15E+4n/an/an/an/an/an/a


TBA

Assay Description
This is a review article. Please point to the original journal.


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00409
BindingDB Entry DOI: 10.7270/Q2J1069F
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50248106
PNG
(CHEMBL461101 | ELTROMBOPAG | Eltrombopag olamine)
Show SMILES Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1N=Nc1cccc(-c2cccc(c2)C(O)=O)c1O |w:16.18|
Show InChI InChI=1S/C25H22N4O4/c1-14-10-11-19(12-15(14)2)29-24(31)22(16(3)28-29)27-26-21-9-5-8-20(23(21)30)17-6-4-7-18(13-17)25(32)33/h4-13,28,30H,1-3H3,(H,32,33)
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n/an/a 1.58E+6n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) cells stable expressing hERG measured using IonW...


J Pharmacol Toxicol Methods 70: 246-54 (2014)


Article DOI: 10.1016/j.vascn.2014.07.002
BindingDB Entry DOI: 10.7270/Q2J104W7
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily D member 3


(Homo sapiens (Human))
BDBM50248106
PNG
(CHEMBL461101 | ELTROMBOPAG | Eltrombopag olamine)
Show SMILES Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1N=Nc1cccc(-c2cccc(c2)C(O)=O)c1O |w:16.18|
Show InChI InChI=1S/C25H22N4O4/c1-14-10-11-19(12-15(14)2)29-24(31)22(16(3)28-29)27-26-21-9-5-8-20(23(21)30)17-6-4-7-18(13-17)25(32)33/h4-13,28,30H,1-3H3,(H,32,33)
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n/an/a 1.58E+6n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of fast sodium current (INa) in HEK293 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platform


J Pharmacol Toxicol Methods 70: 246-54 (2014)


Article DOI: 10.1016/j.vascn.2014.07.002
BindingDB Entry DOI: 10.7270/Q2J104W7
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50248106
PNG
(CHEMBL461101 | ELTROMBOPAG | Eltrombopag olamine)
Show SMILES Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1N=Nc1cccc(-c2cccc(c2)C(O)=O)c1O |w:16.18|
Show InChI InChI=1S/C25H22N4O4/c1-14-10-11-19(12-15(14)2)29-24(31)22(16(3)28-29)27-26-21-9-5-8-20(23(21)30)17-6-4-7-18(13-17)25(32)33/h4-13,28,30H,1-3H3,(H,32,33)
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n/an/a 3.10E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114346
BindingDB Entry DOI: 10.7270/Q2PZ5DT3
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50248106
PNG
(CHEMBL461101 | ELTROMBOPAG | Eltrombopag olamine)
Show SMILES Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1N=Nc1cccc(-c2cccc(c2)C(O)=O)c1O |w:16.18|
Show InChI InChI=1S/C25H22N4O4/c1-14-10-11-19(12-15(14)2)29-24(31)22(16(3)28-29)27-26-21-9-5-8-20(23(21)30)17-6-4-7-18(13-17)25(32)33/h4-13,28,30H,1-3H3,(H,32,33)
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n/an/a 1.58E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of slow delayed inward rectifying potassium current (Iks) in Chinese Hamster Ovary (CHO) cells expressing hKvLQT1/hminK measured using Ion...


J Pharmacol Toxicol Methods 70: 246-54 (2014)


Article DOI: 10.1016/j.vascn.2014.07.002
BindingDB Entry DOI: 10.7270/Q2J104W7
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50248106
PNG
(CHEMBL461101 | ELTROMBOPAG | Eltrombopag olamine)
Show SMILES Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1N=Nc1cccc(-c2cccc(c2)C(O)=O)c1O |w:16.18|
Show InChI InChI=1S/C25H22N4O4/c1-14-10-11-19(12-15(14)2)29-24(31)22(16(3)28-29)27-26-21-9-5-8-20(23(21)30)17-6-4-7-18(13-17)25(32)33/h4-13,28,30H,1-3H3,(H,32,33)
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n/an/a 631n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of transient outward potassium current (Ito) current in Chinese Hamster Ovary (CHO) K1 cells expressing human Kv4.3 measured using IonWork...


J Pharmacol Toxicol Methods 70: 246-54 (2014)


Article DOI: 10.1016/j.vascn.2014.07.002
BindingDB Entry DOI: 10.7270/Q2J104W7
More data for this
Ligand-Target Pair