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SMILES: CCOC(=O)CSc1nc(Sc2ccc(cc2)-c2nc3cc(ccc3[nH]2)C(N)=O)c(C#N)c(n1)-c1ccc(Cl)cc1

InChI Key: InChIKey=GFWKCODMWHEMSK-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50292371   
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 Chk2


(Homo sapiens (Human))		BDBM50292371
PNG
(CHEMBL4171617)
Show SMILES CCOC(=O)CSc1nc(Sc2ccc(cc2)-c2nc3cc(ccc3[nH]2)C(N)=O)c(C#N)c(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C29H21ClN6O3S2/c1-2-39-24(37)15-40-29-35-25(16-3-8-19(30)9-4-16)21(14-31)28(36-29)41-20-10-5-17(6-11-20)27-33-22-12-7-18(26(32)38)13-23(22)34-27/h3-13H,2,15H2,1H3,(H2,32,38)(H,33,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 5.60n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Ability to inhibit HMG-CoA reductase (HMGR) by CoA reductase inhibition screen (COR) in rats

Eur J Med Chem 146: 687-708 (2018)


Article DOI: 10.1016/j.ejmech.2018.01.072
BindingDB Entry DOI: 10.7270/Q2TQ643K
More data for this
Ligand-Target Pair