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BDBM50528436 CHEMBL4449509

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

InChI Key: InChIKey=MZOUEQSXMBURJJ-BIENJYKASA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50528436   
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))		BDBM50528436
PNG
(CHEMBL4449509)
Show SMILES Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@@H]1CN[C@H](CC=C)C[C@H]1c1ccc(Cl)c(Cl)c1 |r,wU:16.17,19.21,wD:24.27,(28.2,-6.77,;27.88,-8.27,;26.47,-8.89,;26.63,-10.43,;28.13,-10.75,;28.75,-12.16,;28.91,-9.42,;30.44,-9.26,;31.47,-10.41,;32.88,-9.78,;32.72,-8.25,;31.21,-7.93,;30.59,-6.52,;34.22,-10.56,;34.21,-12.1,;35.55,-9.79,;36.88,-10.56,;36.88,-12.1,;38.21,-12.87,;39.55,-12.11,;40.88,-12.88,;42.21,-12.12,;43.54,-12.89,;39.55,-10.56,;38.22,-9.8,;38.22,-8.26,;36.88,-7.49,;36.89,-5.95,;38.22,-5.18,;38.21,-3.64,;39.55,-5.94,;40.88,-5.17,;39.56,-7.49,)|
Show InChI InChI=1S/C23H22Cl4N4O2/c1-3-4-13-8-14(12-5-6-16(24)17(25)7-12)19(11-28-13)30-23(32)20-9-15(22(27)33-20)21-18(26)10-29-31(21)2/h3,5-7,9-10,13-14,19,28H,1,4,8,11H2,2H3,(H,30,32)/t13-,14+,19-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12n/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