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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 = 'BDBM50299379'   
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))
BDBM50299379
PNG
(CHEMBL578643 | N4-(2,3-dihydro-1H-inden-2-yl)-6-(p...)
Show SMILES C1C(Cc2ccccc12)Nc1cc(nc(Nc2ccncc2)n1)N1CCNCC1
Show InChI InChI=1S/C22H25N7/c1-2-4-17-14-19(13-16(17)3-1)25-20-15-21(29-11-9-24-10-12-29)28-22(27-20)26-18-5-7-23-8-6-18/h1-8,15,19,24H,9-14H2,(H2,23,25,26,27,28)
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PC cid
PC sid
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Article
PubMed
n/an/a 14n/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))
BDBM50299379
PNG
(CHEMBL578643 | N4-(2,3-dihydro-1H-inden-2-yl)-6-(p...)
Show SMILES C1C(Cc2ccccc12)Nc1cc(nc(Nc2ccncc2)n1)N1CCNCC1
Show InChI InChI=1S/C22H25N7/c1-2-4-17-14-19(13-16(17)3-1)25-20-15-21(29-11-9-24-10-12-29)28-22(27-20)26-18-5-7-23-8-6-18/h1-8,15,19,24H,9-14H2,(H2,23,25,26,27,28)
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 154n/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