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SMILES: Cc1n[nH]c2ccc(cc12)-c1nnc(NC[C@@H](N)Cc2ccc(Cl)cc2)s1

InChI Key: InChIKey=VFMSDTSKEUYQCV-HNNXBMFYSA-N

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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 = 50312755   
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
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50312755
PNG
((S)-3-(4-chlorophenyl)-N1-(5-(3-methyl-1H-indazol-...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1nnc(NC[C@@H](N)Cc2ccc(Cl)cc2)s1 |r|
Show InChI InChI=1S/C19H19ClN6S/c1-11-16-9-13(4-7-17(16)24-23-11)18-25-26-19(27-18)22-10-15(21)8-12-2-5-14(20)6-3-12/h2-7,9,15H,8,10,21H2,1H3,(H,22,26)(H,23,24)/t15-/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 72n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1652-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.046
BindingDB Entry DOI: 10.7270/Q21836MC
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50312755
PNG
((S)-3-(4-chlorophenyl)-N1-(5-(3-methyl-1H-indazol-...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1nnc(NC[C@@H](N)Cc2ccc(Cl)cc2)s1 |r|
Show InChI InChI=1S/C19H19ClN6S/c1-11-16-9-13(4-7-17(16)24-23-11)18-25-26-19(27-18)22-10-15(21)8-12-2-5-14(20)6-3-12/h2-7,9,15H,8,10,21H2,1H3,(H,22,26)(H,23,24)/t15-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.90n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of AKT1 after 10 mins by [gamma33]ATP assay


Bioorg Med Chem Lett 20: 1652-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.046
BindingDB Entry DOI: 10.7270/Q21836MC
More data for this
Ligand-Target Pair