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BDBM50433766 CHEMBL2381604

SMILES: NC(=O)c1cnc(N[C@H]2CCCNC2)c2nc(cn12)-c1ccc2ccccc2c1

InChI Key: InChIKey=JKFQIDJSSIINNY-KRWDZBQOSA-N

Data: 2 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50433766   
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))
BDBM50433766
PNG
(CHEMBL2381604)
Show SMILES NC(=O)c1cnc(N[C@H]2CCCNC2)c2nc(cn12)-c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C22H22N6O/c23-20(29)19-12-25-21(26-17-6-3-9-24-11-17)22-27-18(13-28(19)22)16-8-7-14-4-1-2-5-15(14)10-16/h1-2,4-5,7-8,10,12-13,17,24H,3,6,9,11H2,(H2,23,29)(H,25,26)/t17-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 23n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CHK1 (unknown origin)


Bioorg Med Chem Lett 23: 2863-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.100
BindingDB Entry DOI: 10.7270/Q2Z60QFW
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50433766
PNG
(CHEMBL2381604)
Show SMILES NC(=O)c1cnc(N[C@H]2CCCNC2)c2nc(cn12)-c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C22H22N6O/c23-20(29)19-12-25-21(26-17-6-3-9-24-11-17)22-27-18(13-28(19)22)16-8-7-14-4-1-2-5-15(14)10-16/h1-2,4-5,7-8,10,12-13,17,24H,3,6,9,11H2,(H2,23,29)(H,25,26)/t17-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 910n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MK2


Bioorg Med Chem Lett 23: 2863-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.100
BindingDB Entry DOI: 10.7270/Q2Z60QFW
More data for this
Ligand-Target Pair