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BDBM50384859 CHEMBL2035021

SMILES: NC1(CCC1)c1ccc(cc1)-c1nc2ccccn2c1-c1ccccc1

InChI Key: InChIKey=ABXVUGZVUCYNCO-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 = 50384859   
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 AKT1


(Homo sapiens (Human))
BDBM50384859
PNG
(CHEMBL2035021)
Show SMILES NC1(CCC1)c1ccc(cc1)-c1nc2ccccn2c1-c1ccccc1
Show InChI InChI=1S/C23H21N3/c24-23(14-6-15-23)19-12-10-17(11-13-19)21-22(18-7-2-1-3-8-18)26-16-5-4-9-20(26)25-21/h1-5,7-13,16H,6,14-15,24H2
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 151n/an/an/an/a7.522



Bayer Intellectual Property GmbH

US Patent


Assay Description
For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US8975265 (2015)


BindingDB Entry DOI: 10.7270/Q2F18XGG
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50384859
PNG
(CHEMBL2035021)
Show SMILES NC1(CCC1)c1ccc(cc1)-c1nc2ccccn2c1-c1ccccc1
Show InChI InChI=1S/C23H21N3/c24-23(14-6-15-23)19-12-10-17(11-13-19)21-22(18-7-2-1-3-8-18)26-16-5-4-9-20(26)25-21/h1-5,7-13,16H,6,14-15,24H2
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 387n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of AKT1


J Med Chem 55: 1261-73 (2012)


Article DOI: 10.1021/jm201394e
BindingDB Entry DOI: 10.7270/Q2H41SGT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT2


(Homo sapiens (Human))
BDBM50384859
PNG
(CHEMBL2035021)
Show SMILES NC1(CCC1)c1ccc(cc1)-c1nc2ccccn2c1-c1ccccc1
Show InChI InChI=1S/C23H21N3/c24-23(14-6-15-23)19-12-10-17(11-13-19)21-22(18-7-2-1-3-8-18)26-16-5-4-9-20(26)25-21/h1-5,7-13,16H,6,14-15,24H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 435n/an/an/an/a7.522



Bayer Intellectual Property GmbH

US Patent


Assay Description
For the assay 50 nl of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US8975265 (2015)


BindingDB Entry DOI: 10.7270/Q2F18XGG
More data for this
Ligand-Target Pair