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BDBM50332173 (S)-2-(4-chlorophenyl)-4-(piperidin-3-ylamino)thieno[3,2-c]pyridine-7-carboxamide::2-(4-chlorophenyl)-4-[(3S)-piperidin-3-ylamino]thieno[3,2-c]pyridine-7-carboxamide::CHEMBL1231626

SMILES: NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(sc12)-c1ccc(Cl)cc1

InChI Key: InChIKey=QTBPGDBHORPJSA-UGPWUYPHNA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50332173   
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
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50332173
PNG
((S)-2-(4-chlorophenyl)-4-(piperidin-3-ylamino)thie...)
Show SMILES NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(sc12)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1/C19H19ClN4OS/c20-12-5-3-11(4-6-12)16-8-14-17(26-16)15(18(21)25)10-23-19(14)24-13-2-1-7-22-9-13/h3-6,8,10,13,22H,1-2,7,9H2,(H2,21,25)(H,23,24)/t13-/s2
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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)

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