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BDBM50327455 1-(2-(1-(1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1H-pyrazol-4(5H)-ylidene)ethyl)hydrazinecarbonothioyl)-N-methylindoline-5-carboxamide::CHEMBL1257846

InChI string: InChI=1S/C25H28N6O2S/c1-14-6-8-20(12-15(14)2)31-24(33)22(17(4)29-31)16(3)27-28-25(34)30-11-10-18-13-19(23(32)26-5)7-9-21(18)30/h6-9,12-13,29H,10-11H2,1-5H3,(H,26,32)(H,28,34)

SMILES: CNC(=O)c1ccc2N(CCc2c1)C(=S)NN=C(C)c1c(C)[nH]n(-c2ccc(C)c(C)c2)c1=O

InChI Key: InChIKey=SKRAZIDLSYOQFF-UHFFFAOYSA-N

Data: 1 EC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50327455   
Target
(Institution)
LigandTarget
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
Thrombopoietin receptor


(Homo sapiens)
BDBM50327455
PNG
(1-(2-(1-(1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1H-...)
Show SMILES CNC(=O)c1ccc2N(CCc2c1)C(=S)NN=C(C)c1c(C)[nH]n(-c2ccc(C)c(C)c2)c1=O
Show InChI InChI=1S/C25H28N6O2S/c1-14-6-8-20(12-15(14)2)31-24(33)22(17(4)29-31)16(3)27-28-25(34)30-11-10-18-13-19(23(32)26-5)7-9-21(18)30/h6-9,12-13,29H,10-11H2,1-5H3,(H,26,32)(H,28,34)
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Article
PubMed
n/an/an/an/a 22n/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human TPOR expressed in human BaF3 cells


Bioorg Med Chem Lett 20: 5670-2 (2010)

More data for this
Ligand-Target Pair