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BDBM50528435 CHEMBL4470606

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

InChI Key: InChIKey=UCAWPBIKNIGWBB-UAEOXFLFSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50528435   
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))		BDBM50528435
PNG
(CHEMBL4470606)
Show SMILES Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@@H]1CN[C@H](CC(O)CO)C[C@H]1c1ccc(Cl)c(Cl)c1 |r,wU:16.17,19.21,wD:26.29,(6.28,-22.36,;5.95,-23.87,;4.54,-24.49,;4.7,-26.02,;6.21,-26.34,;6.83,-27.75,;6.98,-25.01,;8.52,-24.85,;9.54,-26,;10.96,-25.38,;10.79,-23.85,;9.29,-23.52,;8.67,-22.11,;12.29,-26.15,;12.29,-27.69,;13.63,-25.38,;14.96,-26.16,;14.95,-27.69,;16.28,-28.47,;17.62,-27.7,;18.95,-28.48,;20.29,-27.71,;20.29,-26.17,;21.62,-28.49,;22.96,-27.72,;17.63,-26.16,;16.29,-25.39,;16.29,-23.86,;14.96,-23.09,;14.96,-21.54,;16.29,-20.77,;16.29,-19.23,;17.63,-21.54,;18.96,-20.76,;17.63,-23.09,)|
Show InChI InChI=1S/C23H24Cl4N4O4/c1-31-21(18(26)8-29-31)15-7-20(35-22(15)27)23(34)30-19-9-28-12(5-13(33)10-32)6-14(19)11-2-3-16(24)17(25)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 3.80n/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