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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Rho-associated protein kinase 2' and Ligand = 'BDBM169493'   
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
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM169493
PNG
(US9079880, 26)
Show SMILES CN1CCc2nc(NC(=O)c3cccc(c3)[C@H]3CCCN3C(=O)c3ccc(cc3)-c3ccncc3)sc2C1 |r|
Show InChI InChI=1S/C30H29N5O2S/c1-34-17-13-25-27(19-34)38-30(32-25)33-28(36)24-5-2-4-23(18-24)26-6-3-16-35(26)29(37)22-9-7-20(8-10-22)21-11-14-31-15-12-21/h2,4-5,7-12,14-15,18,26H,3,6,13,16-17,19H2,1H3,(H,32,33,36)/t26-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.70n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The activity of ROCKII (1-543) kinase was measured utilizing Cambrex PKLight ATP Detection Reagent, a homogeneous assay technology using luciferin-lu...


US Patent US9079880 (2015)


BindingDB Entry DOI: 10.7270/Q25X27QJ
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM169493
PNG
(US9079880, 26)
Show SMILES CN1CCc2nc(NC(=O)c3cccc(c3)[C@H]3CCCN3C(=O)c3ccc(cc3)-c3ccncc3)sc2C1 |r|
Show InChI InChI=1S/C30H29N5O2S/c1-34-17-13-25-27(19-34)38-30(32-25)33-28(36)24-5-2-4-23(18-24)26-6-3-16-35(26)29(37)22-9-7-20(8-10-22)21-11-14-31-15-12-21/h2,4-5,7-12,14-15,18,26H,3,6,13,16-17,19H2,1H3,(H,32,33,36)/t26-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 5.80n/an/an/an/a7.2n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is performed using FAM S6 substrate peptide (Catalogue #R7184) and IMAP FP Screening Express Kit detection reagents from Molecular Devices...


US Patent US9079880 (2015)


BindingDB Entry DOI: 10.7270/Q25X27QJ
More data for this
Ligand-Target Pair