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BDBM91935 Chk1_67

SMILES: OC1CCC(CC1)NCc1ccc-2c(Cc3c(n[nH]c-23)-c2ccoc2)c1

InChI Key: InChIKey=MQYHCTJCBXXBCX-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 91935   
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)
BDBM91935
PNG
(Chk1_67)
Show SMILES OC1CCC(CC1)NCc1ccc-2c(Cc3c(n[nH]c-23)-c2ccoc2)c1 |(-8.72,1.74,;-7.22,1.4,;-6.17,2.52,;-4.67,2.17,;-4.22,.7,;-5.27,-.43,;-6.77,-.08,;-2.72,.35,;-1.67,1.47,;-.17,1.12,;.28,-.35,;1.78,-.7,;2.83,.42,;2.39,1.89,;3.65,2.77,;4.88,1.84,;6.42,1.81,;6.86,.34,;5.6,-.54,;4.37,.39,;7.35,3.04,;6.9,4.52,;8.16,5.4,;9.39,4.47,;8.89,3.01,;.89,2.24,)|
Show InChI InChI=1S/C21H23N3O2/c25-17-4-2-16(3-5-17)22-11-13-1-6-18-15(9-13)10-19-20(23-24-21(18)19)14-7-8-26-12-14/h1,6-9,12,16-17,22,25H,2-5,10-11H2,(H,23,24)
PDB
MMDB

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PC sid
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Article
n/an/a 272n/an/an/an/an/an/a



CSAR



Assay Description
Abbott Kinase Enzymatics_CHK1/289 CDC25c - IC50(uM) (IC50)


CSAR 1: (2012)

More data for this
Ligand-Target Pair