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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Rho-associated protein kinase 2' AND taxid = 10116   
Target
(Institution)
LigandTarget
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


(Rattus norvegicus)
BDBM15211
PNG
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)
Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1
Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+
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PubMed
n/an/a 270n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of rat ROCK2 expressed in Sf9 cells


Biochem J 351: 95-105 (2001)

More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Rattus norvegicus)
BDBM14029
PNG
((R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXA...)
Show SMILES C[C@@H](N)[C@H]1CC[C@@H](CC1)C(=O)Nc1ccncc1
Show InChI InChI=1S/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)/t10-,11-,12-/m1/s1
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KEGG

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PDB
PubMed
n/an/a 800n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of rat ROCK2 expressed in Sf9 cells


Biochem J 351: 95-105 (2001)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Rho-associated protein kinase 2


(Rattus norvegicus)
BDBM14027
PNG
(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)
Show SMILES O=S(=O)(N1CCCNCC1)c1cccc2cnccc12
Show InChI InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2
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KEGG

UniProtKB/SwissProt

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CHEMBL
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PC cid
PC sid
PDB
UniChem

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PDB
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of rat ROCK2 expressed in Sf9 cells


Biochem J 351: 95-105 (2001)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)