BindingDB logo
myBDB logout

BDBM50278048 CHEMBL4160193

SMILES: CCOC(=O)c1c(C)nc(NNC(=O)c2cccc3c2[nH]c2ccccc2c3=O)nc1-c1ccccc1F

InChI Key: InChIKey=PPAYGWQWDNWZJW-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50278048   
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))
BDBM50278048
PNG
(CHEMBL4160193)
Show SMILES CCOC(=O)c1c(C)nc(NNC(=O)c2cccc3c2[nH]c2ccccc2c3=O)nc1-c1ccccc1F
Show InChI InChI=1S/C28H22FN5O4/c1-3-38-27(37)22-15(2)30-28(32-24(22)16-9-4-6-13-20(16)29)34-33-26(36)19-12-8-11-18-23(19)31-21-14-7-5-10-17(21)25(18)35/h4-14H,3H2,1-2H3,(H,31,35)(H,33,36)(H,30,32,34)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 8.20n/an/an/an/an/an/a



SVKM's Dr. Bhanuben Nanavati College of Pharmacy

Curated by ChEMBL


Assay Description
Antagonistic affinity against Alpha-1B adrenergic receptor was determined in isolated spleen tissue from rat


Eur J Med Chem 139: 961-981 (2017)


BindingDB Entry DOI: 10.7270/Q2668GQS
More data for this
Ligand-Target Pair