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BDBM50332142 (S)-2-(3-(hydroxymethyl)phenyl)-4-(piperidin-3-ylamino)thieno[3,2-c]pyridine-7-carboxamide::CHEMBL1288010

SMILES: NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(sc12)-c1cccc(CO)c1

InChI Key: InChIKey=YNQHLQYVIDIBNI-AWEZNQCLSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50332142   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine/threonine-protein kinase Chk1/2


(Homo sapiens (Human))
BDBM50332142
PNG
((S)-2-(3-(hydroxymethyl)phenyl)-4-(piperidin-3-yla...)
Show SMILES NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(sc12)-c1cccc(CO)c1
Show InChI InChI=1S/C20H22N4O2S/c21-19(26)16-10-23-20(24-14-5-2-6-22-9-14)15-8-17(27-18(15)16)13-4-1-3-12(7-13)11-25/h1,3-4,7-8,10,14,22,25H,2,5-6,9,11H2,(H2,21,26)(H,23,24)/t14-/m0/s1
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Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of His-tagged CHK1 after 2 hrs by liquid scintillation counting


Bioorg Med Chem Lett 20: 7216-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.105
BindingDB Entry DOI: 10.7270/Q2QV3MR6
More data for this
Ligand-Target Pair