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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 = 'BDBM169487'   
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))
BDBM169487
PNG
(US9079880, 20)
Show SMILES N[C@H]1CCc2nc(NC(=O)c3cccc(c3)[C@H]3CCCN3C(=O)Nc3cccc(c3)C#N)sc2C1 |r|
Show InChI InChI=1S/C26H26N6O2S/c27-15-16-4-1-7-20(12-16)29-26(34)32-11-3-8-22(32)17-5-2-6-18(13-17)24(33)31-25-30-21-10-9-19(28)14-23(21)35-25/h1-2,4-7,12-13,19,22H,3,8-11,14,28H2,(H,29,34)(H,30,31,33)/t19-,22+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.390n/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
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM169487
PNG
(US9079880, 20)
Show SMILES N[C@H]1CCc2nc(NC(=O)c3cccc(c3)[C@H]3CCCN3C(=O)Nc3cccc(c3)C#N)sc2C1 |r|
Show InChI InChI=1S/C26H26N6O2S/c27-15-16-4-1-7-20(12-16)29-26(34)32-11-3-8-22(32)17-5-2-6-18(13-17)24(33)31-25-30-21-10-9-19(28)14-23(21)35-25/h1-2,4-7,12-13,19,22H,3,8-11,14,28H2,(H,29,34)(H,30,31,33)/t19-,22+/m0/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