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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Rho-associated protein kinase 1' and Ligand = 'BDBM50546246'   
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 1


(Homo sapiens (Human))
BDBM50546246
PNG
(CHEMBL4753043 | US11608319, Compound AR-13503)
Show SMILES NC[C@@H](C(=O)Nc1ccc2cnccc2c1)c1ccc(CO)cc1 |r|
PDB
MMDB

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KEGG

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MCE
PC cid
PC sid
UniChem
Article
PubMed
0.200n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ROCK1 expressed in baculovirus expression system by Kinase-Glo luminescent Assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b01033
BindingDB Entry DOI: 10.7270/Q2ZK5M83
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50546246
PNG
(CHEMBL4753043 | US11608319, Compound AR-13503)
Show SMILES NC[C@@H](C(=O)Nc1ccc2cnccc2c1)c1ccc(CO)cc1 |r|
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
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MCE
PC cid
PC sid
UniChem
0.200n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50546246
PNG
(CHEMBL4753043 | US11608319, Compound AR-13503)
Show SMILES NC[C@@H](C(=O)Nc1ccc2cnccc2c1)c1ccc(CO)cc1 |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
0.200n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human GST-tagged ROCK1 catalytic domain expressed in baculovirus expression system by Kinase-Glo luminescent kinase assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127474
BindingDB Entry DOI: 10.7270/Q25142V2
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50546246
PNG
(CHEMBL4753043 | US11608319, Compound AR-13503)
Show SMILES NC[C@@H](C(=O)Nc1ccc2cnccc2c1)c1ccc(CO)cc1 |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a


TBA

Assay Description
Table 2: Inhibitory effect of each compound synthesized above on Rho-associated protein kinase (ROCK) was tested.Method 1. 10 mM test compound was di...


Citation and Details

BindingDB Entry DOI: 10.7270/Q29C72B5
More data for this
Ligand-Target Pair