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Compile Data Set for Download or QSAR

Found 6 hits of ic50 for monomerid = 50358469   
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))
BDBM50358469
PNG
(CHEMBL1922026)
Show SMILES COc1cccc(CNC(=O)c2cc3ccc(cc3[nH]2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C20H18N4O2/c1-26-17-4-2-3-13(7-17)10-21-20(25)19-9-15-6-5-14(8-18(15)24-19)16-11-22-23-12-16/h2-9,11-12,24H,10H2,1H3,(H,21,25)(H,22,23)
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n/an/a 1.60n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50358469
PNG
(CHEMBL1922026)
Show SMILES COc1cccc(CNC(=O)c2cc3ccc(cc3[nH]2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C20H18N4O2/c1-26-17-4-2-3-13(7-17)10-21-20(25)19-9-15-6-5-14(8-18(15)24-19)16-11-22-23-12-16/h2-9,11-12,24H,10H2,1H3,(H,21,25)(H,22,23)
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Article
PubMed
n/an/a 2n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human 6-His-tagged ROCK2 expressed in Sf9 cells


Bioorg Med Chem Lett 21: 7107-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.083
BindingDB Entry DOI: 10.7270/Q20002H5
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358469
PNG
(CHEMBL1922026)
Show SMILES COc1cccc(CNC(=O)c2cc3ccc(cc3[nH]2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C20H18N4O2/c1-26-17-4-2-3-13(7-17)10-21-20(25)19-9-15-6-5-14(8-18(15)24-19)16-11-22-23-12-16/h2-9,11-12,24H,10H2,1H3,(H,21,25)(H,22,23)
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Article
PubMed
n/an/a 2n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
BindingDB Entry DOI: 10.7270/Q2F1905N
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50358469
PNG
(CHEMBL1922026)
Show SMILES COc1cccc(CNC(=O)c2cc3ccc(cc3[nH]2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C20H18N4O2/c1-26-17-4-2-3-13(7-17)10-21-20(25)19-9-15-6-5-14(8-18(15)24-19)16-11-22-23-12-16/h2-9,11-12,24H,10H2,1H3,(H,21,25)(H,22,23)
PDB
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n/an/a 19n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 21: 7113-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.084
BindingDB Entry DOI: 10.7270/Q2F1905N
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50358469
PNG
(CHEMBL1922026)
Show SMILES COc1cccc(CNC(=O)c2cc3ccc(cc3[nH]2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C20H18N4O2/c1-26-17-4-2-3-13(7-17)10-21-20(25)19-9-15-6-5-14(8-18(15)24-19)16-11-22-23-12-16/h2-9,11-12,24H,10H2,1H3,(H,21,25)(H,22,23)
PDB
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PC cid
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Article
PubMed
n/an/a 19n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 21: 7107-12 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.083
BindingDB Entry DOI: 10.7270/Q20002H5
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit gamma


(Homo sapiens (Human))
BDBM50358469
PNG
(CHEMBL1922026)
Show SMILES COc1cccc(CNC(=O)c2cc3ccc(cc3[nH]2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C20H18N4O2/c1-26-17-4-2-3-13(7-17)10-21-20(25)19-9-15-6-5-14(8-18(15)24-19)16-11-22-23-12-16/h2-9,11-12,24H,10H2,1H3,(H,21,25)(H,22,23)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

n/an/a 6.74E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair