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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 = 'BDBM141022'   
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))
BDBM141022
PNG
(US10570123, Example 231 | US8916576, 231)
Show SMILES O=C(CN1CCOCC1)Nc1ccccc1-c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1
Show InChI InChI=1S/C27H25N7O2/c35-25(17-34-11-13-36-14-12-34)30-23-7-3-1-5-20(23)27-31-24-8-4-2-6-21(24)26(32-27)29-19-9-10-22-18(15-19)16-28-33-22/h1-10,15-16H,11-14,17H2,(H,28,33)(H,30,35)(H,29,31,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>3.00E+3n/an/an/an/an/an/a



SURFACE LOGIX, LLC

US Patent


Assay Description
ROCK-II inhibitory activity can be measured using the ROCK-II Assay Kit (Molecular Devices, inc.; Sunnyvale, Calif.).


US Patent US10570123 (2020)


BindingDB Entry DOI: 10.7270/Q2542R1V
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM141022
PNG
(US10570123, Example 231 | US8916576, 231)
Show SMILES O=C(CN1CCOCC1)Nc1ccccc1-c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1
Show InChI InChI=1S/C27H25N7O2/c35-25(17-34-11-13-36-14-12-34)30-23-7-3-1-5-20(23)27-31-24-8-4-2-6-21(24)26(32-27)29-19-9-10-22-18(15-19)16-28-33-22/h1-10,15-16H,11-14,17H2,(H,28,33)(H,30,35)(H,29,31,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>3.00E+3n/an/an/an/an/an/a



Surface Logix, Inc.

US Patent


Assay Description
ROCK-II inhibitory activity can be measured using the ROCK-II Assay Kit (Molecular Devices, inc.; Sunnyvale, Calif.).


US Patent US8916576 (2014)


BindingDB Entry DOI: 10.7270/Q2P55M6K
More data for this
Ligand-Target Pair