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BDBM92907 CHK1 compound 2

SMILES: CC(OC(=O)Nc1ccc(Cl)c(Cl)c1)c1nc2ccccc2[nH]1

InChI Key: InChIKey=MVMZWHAHBIJEDT-UHFFFAOYSA-N

Data: 1 KI

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 = 92907   
Target/Host
(Institution)
LigandTarget/Host
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 (Human))
BDBM92907
PNG
(CHK1 compound 2)
Show SMILES CC(OC(=O)Nc1ccc(Cl)c(Cl)c1)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C16H13Cl2N3O2/c1-9(15-20-13-4-2-3-5-14(13)21-15)23-16(22)19-10-6-7-11(17)12(18)8-10/h2-9H,1H3,(H,19,22)(H,20,21)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
1.89E+3 -7.72n/an/an/an/an/a7.422



Pfizer



Assay Description
The inhibitors reported in this study bind to CHK1 according to a general mechanism illustrated in Scheme 1 where E, S, and I stand for enzyme, subst...


Biochemistry 48: 9823-30 (2009)


Article DOI: 10.1021/bi900258v
BindingDB Entry DOI: 10.7270/Q25M649B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)