BindingDB logo
myBDB logout

BDBM50536176 CHEMBL4586184

SMILES: Cl.CC(=O)Nc1ccc(cc1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(CN)cc3)c2n1

InChI Key: InChIKey=TXFUCGOTAVICDK-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 = 50536176   
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))
BDBM50536176
PNG
(CHEMBL4586184)
Show SMILES Cl.CC(=O)Nc1ccc(cc1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(CN)cc3)c2n1
Show InChI InChI=1S/C26H23N7O/c1-16(34)30-19-8-6-18(7-9-19)22-12-13-23-26(31-22)33(20-10-4-17(15-27)5-11-20)25(32-23)21-3-2-14-29-24(21)28/h2-14H,15,27H2,1H3,(H2,28,29)(H,30,34)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 72n/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 AKT


(Homo sapiens (Human))
BDBM50536176
PNG
(CHEMBL4586184)
Show SMILES Cl.CC(=O)Nc1ccc(cc1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(CN)cc3)c2n1
Show InChI InChI=1S/C26H23N7O/c1-16(34)30-19-8-6-18(7-9-19)22-12-13-23-26(31-22)33(20-10-4-17(15-27)5-11-20)25(32-23)21-3-2-14-29-24(21)28/h2-14H,15,27H2,1H3,(H2,28,29)(H,30,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 700n/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
Serine/threonine-protein kinase AKT2


(Homo sapiens (Human))
BDBM50536176
PNG
(CHEMBL4586184)
Show SMILES Cl.CC(=O)Nc1ccc(cc1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(CN)cc3)c2n1
Show InChI InChI=1S/C26H23N7O/c1-16(34)30-19-8-6-18(7-9-19)22-12-13-23-26(31-22)33(20-10-4-17(15-27)5-11-20)25(32-23)21-3-2-14-29-24(21)28/h2-14H,15,27H2,1H3,(H2,28,29)(H,30,34)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 79n/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