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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'RAC-beta serine/threonine-protein kinase' and Ligand = 'BDBM50536169'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM50536169
PNG
(CHEMBL4519558)
Show SMILES Cl.CC(=O)Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1
Show InChI InChI=1S/C29H27N7O/c1-18(37)33-21-6-2-5-19(17-21)24-12-13-25-28(34-24)36(27(35-25)23-7-3-16-32-26(23)30)22-10-8-20(9-11-22)29(31)14-4-15-29/h2-3,5-13,16-17H,4,14-15,31H2,1H3,(H2,30,32)(H,33,37)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.20n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length active AKT2 (1 to 481 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotin-GRPRTSSFAE...

J Med Chem 59: 6455-69 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00619
BindingDB Entry DOI: 10.7270/Q2RN3CCM
More data for this
Ligand-Target Pair
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))		BDBM50536169
PNG
(CHEMBL4519558)
Show SMILES Cl.CC(=O)Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1
Show InChI InChI=1S/C29H27N7O/c1-18(37)33-21-6-2-5-19(17-21)24-12-13-25-28(34-24)36(27(35-25)23-7-3-16-32-26(23)30)22-10-8-20(9-11-22)29(31)14-4-15-29/h2-3,5-13,16-17H,4,14-15,31H2,1H3,(H2,30,32)(H,33,37)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.10n/an/an/an/an/an/a



ArQule Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length unphosphorylated AKT2 (1 to 481 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotin-...

J Med Chem 59: 6455-69 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00619
BindingDB Entry DOI: 10.7270/Q2RN3CCM
More data for this
Ligand-Target Pair