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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'RAC-alpha serine/threonine-protein kinase' and Ligand = 'BDBM108437'   
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-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM108437
PNG
(US8609688, 15)
Show SMILES CC(C)C(=O)N1CCN(CC1)c1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1
Show InChI InChI=1S/C35H38N8O/c1-23(2)34(44)42-20-18-41(19-21-42)27-7-3-6-24(22-27)29-13-14-30-33(39-29)43(32(40-30)28-8-4-17-38-31(28)36)26-11-9-25(10-12-26)35(37)15-5-16-35/h3-4,6-14,17,22-23H,5,15-16,18-21,37H2,1-2H3,(H2,36,38)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/an/a 1.10n/an/an/an/an/a



ArQule, Inc.

US Patent


Assay Description
Binding analysis. Protein-ligand binding was identified with the thermal shift assay which is based on the ligand-induced stabilization of the protei...


US Patent US8962619 (2015)


BindingDB Entry DOI: 10.7270/Q2W957W7
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM108437
PNG
(US8609688, 15)
Show SMILES CC(C)C(=O)N1CCN(CC1)c1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1
Show InChI InChI=1S/C35H38N8O/c1-23(2)34(44)42-20-18-41(19-21-42)27-7-3-6-24(22-27)29-13-14-30-33(39-29)43(32(40-30)28-8-4-17-38-31(28)36)26-11-9-25(10-12-26)35(37)15-5-16-35/h3-4,6-14,17,22-23H,5,15-16,18-21,37H2,1-2H3,(H2,36,38)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/an/a 1.10n/an/an/a7.580



ArQule, Inc.

US Patent


Assay Description
Protein-ligand binding was identified with the thermal shift assay which is based on the ligand-induced stabilization of the protein tertiary structu...


US Patent US8609688 (2013)


BindingDB Entry DOI: 10.7270/Q2H41Q2M
More data for this
Ligand-Target Pair