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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'CHK1_Kinase' and Ligand = 'BDBM91831'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
CHK1_Kinase


(Homo sapiens (Human))
BDBM91831
PNG
(Chk1_105)
Show SMILES COc1cc(NC(=O)CCCCCCC(O)=O)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C21H23ClN6O5/c1-33-17-9-15(26-19(29)6-4-2-3-5-7-20(30)31)14(22)8-16(17)27-21(32)28-18-12-24-13(10-23)11-25-18/h8-9,11-12H,2-7H2,1H3,(H,26,29)(H,30,31)(H2,25,27,28,32)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
D3R
57.9n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair