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BDBM50536174 CHEMBL4545250

SMILES: Cl.NCc1ccc(cc1)-n1c(nc2ccc(Cl)nc12)-c1cccnc1N

InChI Key: InChIKey=LJQFIAYIVWMEKG-UHFFFAOYSA-N

Data: 3 IC50

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 3 hits for monomerid = 50536174   
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
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50536174
PNG
(CHEMBL4545250)
Show SMILES Cl.NCc1ccc(cc1)-n1c(nc2ccc(Cl)nc12)-c1cccnc1N
Show InChI InChI=1S/C18H15ClN6/c19-15-8-7-14-18(24-15)25(12-5-3-11(10-20)4-6-12)17(23-14)13-2-1-9-22-16(13)21/h1-9H,10,20H2,(H2,21,22)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 270n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length unphosphorylated AKT1 (1 to 480 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotin-...


J Med Chem 59: 6455-69 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00619
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT2


(Homo sapiens (Human))
BDBM50536174
PNG
(CHEMBL4545250)
Show SMILES Cl.NCc1ccc(cc1)-n1c(nc2ccc(Cl)nc12)-c1cccnc1N
Show InChI InChI=1S/C18H15ClN6/c19-15-8-7-14-18(24-15)25(12-5-3-11(10-20)4-6-12)17(23-14)13-2-1-9-22-16(13)21/h1-9H,10,20H2,(H2,21,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length unphosphorylated AKT2 (1 to 481 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotin-...


J Med Chem 59: 6455-69 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00619
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (Human))
BDBM50536174
PNG
(CHEMBL4545250)
Show SMILES Cl.NCc1ccc(cc1)-n1c(nc2ccc(Cl)nc12)-c1cccnc1N
Show InChI InChI=1S/C18H15ClN6/c19-15-8-7-14-18(24-15)25(12-5-3-11(10-20)4-6-12)17(23-14)13-2-1-9-22-16(13)21/h1-9H,10,20H2,(H2,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.60E+3n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length unphosphorylated AKT3 (1 to 479 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotin-...


J Med Chem 59: 6455-69 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00619
More data for this
Ligand-Target Pair