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BDBM50528428 CHEMBL4567295

SMILES: Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@@H]1CN[C@H](CC(O)CO)C[C@H]1c1ccc(F)c(F)c1

InChI Key: InChIKey=XZJYUZOFUXTXML-UAEOXFLFSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50528428   
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))		BDBM50528428
PNG
(CHEMBL4567295)
Show SMILES Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@@H]1CN[C@H](CC(O)CO)C[C@H]1c1ccc(F)c(F)c1 |r,wU:16.17,19.21,wD:26.29,(33.44,-6.73,;33.11,-8.23,;31.7,-8.85,;31.86,-10.39,;33.37,-10.71,;33.99,-12.12,;34.14,-9.38,;35.68,-9.22,;36.7,-10.37,;38.12,-9.74,;37.95,-8.21,;36.45,-7.89,;35.83,-6.48,;39.45,-10.52,;39.45,-12.06,;40.79,-9.75,;42.12,-10.52,;42.11,-12.06,;43.44,-12.83,;44.78,-12.07,;46.11,-12.84,;47.45,-12.08,;47.45,-10.54,;48.78,-12.85,;50.11,-12.09,;44.79,-10.52,;43.45,-9.76,;43.45,-8.23,;42.12,-7.46,;42.12,-5.91,;43.45,-5.14,;43.45,-3.6,;44.79,-5.9,;46.12,-5.13,;44.79,-7.45,)|
Show InChI InChI=1S/C23H24Cl2F2N4O4/c1-31-21(16(24)8-29-31)15-7-20(35-22(15)25)23(34)30-19-9-28-12(5-13(33)10-32)6-14(19)11-2-3-17(26)18(27)4-11/h2-4,7-8,12-14,19,28,32-33H,5-6,9-10H2,1H3,(H,30,34)/t12-,13?,14+,19-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.30n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human Akt1 expressed in Escherichia coli using STK Substrate 2-biotin as substrate incubated for 1 hr by HTRF assay

J Med Chem 62: 7264-7288 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00891
More data for this
Ligand-Target Pair