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SMILES: Fc1ccc(CNC(=O)c2c[nH]c3cc(ccc23)-c2cn[nH]c2)cc1F

InChI Key: InChIKey=HEESYZLXEJDLJI-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50358485   
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))
BDBM50358485
PNG
(CHEMBL1923172)
Show SMILES Fc1ccc(CNC(=O)c2c[nH]c3cc(ccc23)-c2cn[nH]c2)cc1F
Show InChI InChI=1S/C19H14F2N4O/c20-16-4-1-11(5-17(16)21)7-23-19(26)15-10-22-18-6-12(2-3-14(15)18)13-8-24-25-9-13/h1-6,8-10,22H,7H2,(H,23,26)(H,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 34n/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))
BDBM50358485
PNG
(CHEMBL1923172)
Show SMILES Fc1ccc(CNC(=O)c2c[nH]c3cc(ccc23)-c2cn[nH]c2)cc1F
Show InChI InChI=1S/C19H14F2N4O/c20-16-4-1-11(5-17(16)21)7-23-19(26)15-10-22-18-6-12(2-3-14(15)18)13-8-24-25-9-13/h1-6,8-10,22H,7H2,(H,23,26)(H,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8n/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