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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 = 'BDBM169500'   
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))
BDBM169500
PNG
(US9079880, 33)
Show SMILES CCCN[C@H]1CCc2nc(NC(=O)c3cccc(c3)[C@@H](C)NC(=O)c3ccc(OC)c(Cl)c3)sc2C1 |r|
Show InChI InChI=1S/C27H31ClN4O3S/c1-4-12-29-20-9-10-22-24(15-20)36-27(31-22)32-26(34)18-7-5-6-17(13-18)16(2)30-25(33)19-8-11-23(35-3)21(28)14-19/h5-8,11,13-14,16,20,29H,4,9-10,12,15H2,1-3H3,(H,30,33)(H,31,32,34)/t16-,20+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.5n/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))
BDBM169500
PNG
(US9079880, 33)
Show SMILES CCCN[C@H]1CCc2nc(NC(=O)c3cccc(c3)[C@@H](C)NC(=O)c3ccc(OC)c(Cl)c3)sc2C1 |r|
Show InChI InChI=1S/C27H31ClN4O3S/c1-4-12-29-20-9-10-22-24(15-20)36-27(31-22)32-26(34)18-7-5-6-17(13-18)16(2)30-25(33)19-8-11-23(35-3)21(28)14-19/h5-8,11,13-14,16,20,29H,4,9-10,12,15H2,1-3H3,(H,30,33)(H,31,32,34)/t16-,20+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.20n/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