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BDBM50327454 1-(2-(1-(1-(2,3-dihydro-1H-inden-5-yl)-3-methyl-5-oxo-1H-pyrazol-4(5H)-ylidene)ethyl)hydrazinecarbonothioyl)-1,2,3,4-tetrahydroquinoline-6-carboxylic acid::CHEMBL1257724

InChI string: InChI=1S/C26H27N5O3S/c1-15(23-16(2)29-31(24(23)32)21-10-8-17-5-3-6-18(17)14-21)27-28-26(35)30-12-4-7-19-13-20(25(33)34)9-11-22(19)30/h8-11,13-14,29H,3-7,12H2,1-2H3,(H,28,35)(H,33,34)

SMILES: CC(=NNC(=S)N1CCCc2cc(ccc12)C(O)=O)c1c(C)[nH]n(-c2ccc3CCCc3c2)c1=O

InChI Key: InChIKey=VCRUDMLBNIYJQN-UHFFFAOYSA-N

Data: 1 EC50

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 1 hit for monomerid = 50327454   
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)
BDBM50327454
PNG
(1-(2-(1-(1-(2,3-dihydro-1H-inden-5-yl)-3-methyl-5-...)
Show SMILES CC(=NNC(=S)N1CCCc2cc(ccc12)C(O)=O)c1c(C)[nH]n(-c2ccc3CCCc3c2)c1=O
Show InChI InChI=1S/C26H27N5O3S/c1-15(23-16(2)29-31(24(23)32)21-10-8-17-5-3-6-18(17)14-21)27-28-26(35)30-12-4-7-19-13-20(25(33)34)9-11-22(19)30/h8-11,13-14,29H,3-7,12H2,1-2H3,(H,28,35)(H,33,34)
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Similars

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Article
PubMed
n/an/an/an/a 35n/an/an/an/a



Shanghai Hengrui Pharmaceuticals Co, Ltd

Curated by ChEMBL


Assay Description
Inhibition of human TPOR expressed in human BaF3 cells


Citation and Details
More data for this
Ligand-Target Pair