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BDBM50433769 CHEMBL2381600

SMILES: CN[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)n2cc(nc12)-c1ccc(Cl)cc1

InChI Key: InChIKey=NVNJXYOVWGMPAO-SHTZXODSSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50433769   
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))
BDBM50433769
PNG
(CHEMBL2381600)
Show SMILES CN[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)n2cc(nc12)-c1ccc(Cl)cc1 |r,wU:5.8,wD:2.1,(67.27,-1.42,;67.27,-2.96,;68.6,-3.73,;68.6,-5.27,;69.94,-6.05,;71.27,-5.27,;71.26,-3.73,;69.94,-2.96,;72.61,-6.04,;72.61,-7.58,;71.28,-8.35,;71.28,-9.89,;72.62,-10.66,;72.62,-12.2,;71.29,-12.97,;73.95,-12.97,;73.96,-9.89,;75.43,-10.35,;76.32,-9.1,;75.41,-7.86,;73.95,-8.34,;77.86,-9.09,;78.64,-10.42,;80.17,-10.41,;80.94,-9.07,;82.48,-9.06,;80.15,-7.74,;78.62,-7.76,)|
Show InChI InChI=1S/C20H23ClN6O/c1-23-14-6-8-15(9-7-14)25-19-20-26-16(12-2-4-13(21)5-3-12)11-27(20)17(10-24-19)18(22)28/h2-5,10-11,14-15,23H,6-9H2,1H3,(H2,22,28)(H,24,25)/t14-,15-
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 890n/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))
BDBM50433769
PNG
(CHEMBL2381600)
Show SMILES CN[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)n2cc(nc12)-c1ccc(Cl)cc1 |r,wU:5.8,wD:2.1,(67.27,-1.42,;67.27,-2.96,;68.6,-3.73,;68.6,-5.27,;69.94,-6.05,;71.27,-5.27,;71.26,-3.73,;69.94,-2.96,;72.61,-6.04,;72.61,-7.58,;71.28,-8.35,;71.28,-9.89,;72.62,-10.66,;72.62,-12.2,;71.29,-12.97,;73.95,-12.97,;73.96,-9.89,;75.43,-10.35,;76.32,-9.1,;75.41,-7.86,;73.95,-8.34,;77.86,-9.09,;78.64,-10.42,;80.17,-10.41,;80.94,-9.07,;82.48,-9.06,;80.15,-7.74,;78.62,-7.76,)|
Show InChI InChI=1S/C20H23ClN6O/c1-23-14-6-8-15(9-7-14)25-19-20-26-16(12-2-4-13(21)5-3-12)11-27(20)17(10-24-19)18(22)28/h2-5,10-11,14-15,23H,6-9H2,1H3,(H2,22,28)(H,24,25)/t14-,15-
PDB
MMDB

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Reactome pathway
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UniProtKB/SwissProt

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antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 400n/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