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SMILES: O=C(NCC1CCCCC1)c1c[nH]c2cc(ccc12)-c1cn[nH]c1

InChI Key: InChIKey=BYYDKOIEHCMIEC-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 = 50358488   
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))
BDBM50358488
PNG
(CHEMBL1923175)
Show SMILES O=C(NCC1CCCCC1)c1c[nH]c2cc(ccc12)-c1cn[nH]c1
Show InChI InChI=1S/C19H22N4O/c24-19(21-9-13-4-2-1-3-5-13)17-12-20-18-8-14(6-7-16(17)18)15-10-22-23-11-15/h6-8,10-13,20H,1-5,9H2,(H,21,24)(H,22,23)
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 170n/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))
BDBM50358488
PNG
(CHEMBL1923175)
Show SMILES O=C(NCC1CCCCC1)c1c[nH]c2cc(ccc12)-c1cn[nH]c1
Show InChI InChI=1S/C19H22N4O/c24-19(21-9-13-4-2-1-3-5-13)17-12-20-18-8-14(6-7-16(17)18)15-10-22-23-11-15/h6-8,10-13,20H,1-5,9H2,(H,21,24)(H,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 76n/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