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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'CHK1_Kinase' and Ligand = 'BDBM225333'   
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))
BDBM225333
PNG
(Chk1_4)
Show SMILES COc1cc2Cc3c(n[nH]c3-c3ccc(O)cc3)-c2cc1OC
Show InChI InChI=1S/C18H16N2O3/c1-22-15-8-11-7-14-17(10-3-5-12(21)6-4-10)19-20-18(14)13(11)9-16(15)23-2/h3-6,8-9,21H,7H2,1-2H3,(H,19,20)
PDB

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PC cid
PC sid
PDB
UniChem
PDB
D3R
23.9n/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
3D
3D Structure (crystal)
CHK1_Kinase


(Homo sapiens (Human))
BDBM225333
PNG
(Chk1_4)
Show SMILES COc1cc2Cc3c(n[nH]c3-c3ccc(O)cc3)-c2cc1OC
Show InChI InChI=1S/C18H16N2O3/c1-22-15-8-11-7-14-17(10-3-5-12(21)6-4-10)19-20-18(14)13(11)9-16(15)23-2/h3-6,8-9,21H,7H2,1-2H3,(H,19,20)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
D3R
178n/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
3D
3D Structure (crystal)