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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Rho-associated protein kinase 1' and Ligand = 'BDBM50299374'   
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))
BDBM50299374
PNG
((R)-N2-(2,3-dihydro-1H-inden-2-yl)-6-(3-methylpipe...)
Show SMILES C[C@@H]1CN(CCN1)c1nc(NC2Cc3ccccc3C2)nc(Nc2ccncc2)n1 |r|
Show InChI InChI=1S/C22H26N8/c1-15-14-30(11-10-24-15)22-28-20(25-18-6-8-23-9-7-18)27-21(29-22)26-19-12-16-4-2-3-5-17(16)13-19/h2-9,15,19,24H,10-14H2,1H3,(H2,23,25,26,27,28,29)/t15-/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 by IMAP assay


Bioorg Med Chem Lett 19: 6027-31 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.046
BindingDB Entry DOI: 10.7270/Q2668D7P
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50299374
PNG
((R)-N2-(2,3-dihydro-1H-inden-2-yl)-6-(3-methylpipe...)
Show SMILES C[C@@H]1CN(CCN1)c1nc(NC2Cc3ccccc3C2)nc(Nc2ccncc2)n1 |r|
Show InChI InChI=1S/C22H26N8/c1-15-14-30(11-10-24-15)22-28-20(25-18-6-8-23-9-7-18)27-21(29-22)26-19-12-16-4-2-3-5-17(16)13-19/h2-9,15,19,24H,10-14H2,1H3,(H2,23,25,26,27,28,29)/t15-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 26n/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of ROCK1 in human THP1 cells assessed as inhibition of MCP1-induced cell migration


Bioorg Med Chem Lett 19: 6027-31 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.046
BindingDB Entry DOI: 10.7270/Q2668D7P
More data for this
Ligand-Target Pair