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SMILES: COc1ccccc1CNC(=O)c1c[nH]c2cc(ccc12)-c1cn[nH]c1

InChI Key: InChIKey=FVUVFVFIFFZGSO-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50358482   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50358482
PNG
(CHEMBL1923169)
Show SMILES COc1ccccc1CNC(=O)c1c[nH]c2cc(ccc12)-c1cn[nH]c1
Show InChI InChI=1S/C20H18N4O2/c1-26-19-5-3-2-4-14(19)9-22-20(25)17-12-21-18-8-13(6-7-16(17)18)15-10-23-24-11-15/h2-8,10-12,21H,9H2,1H3,(H,22,25)(H,23,24)
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 23n/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
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50358482
PNG
(CHEMBL1923169)
Show SMILES COc1ccccc1CNC(=O)c1c[nH]c2cc(ccc12)-c1cn[nH]c1
Show InChI InChI=1S/C20H18N4O2/c1-26-19-5-3-2-4-14(19)9-22-20(25)17-12-21-18-8-13(6-7-16(17)18)15-10-23-24-11-15/h2-8,10-12,21H,9H2,1H3,(H,22,25)(H,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 9n/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