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BDBM50431123 CHEMBL2332066

SMILES: COCCN(Cc1cccc(OC)c1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1

InChI Key: InChIKey=AVQDXYFGOJTGHH-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50431123   
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 2


(Homo sapiens (Human))
BDBM50431123
PNG
(CHEMBL2332066)
Show SMILES COCCN(Cc1cccc(OC)c1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1
Show InChI InChI=1S/C21H24N4O3/c1-27-11-10-25(15-16-4-3-5-20(12-16)28-2)21(26)24-19-8-6-17(7-9-19)18-13-22-23-14-18/h3-9,12-14H,10-11,15H2,1-2H3,(H,22,23)(H,24,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Shanghai Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using STK2 substrate after 4 hrs by HTRF mode


Bioorg Med Chem 23: 2505-17 (2015)


Article DOI: 10.1016/j.bmc.2015.03.047
BindingDB Entry DOI: 10.7270/Q2ZP47SX
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50431123
PNG
(CHEMBL2332066)
Show SMILES COCCN(Cc1cccc(OC)c1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1
Show InChI InChI=1S/C21H24N4O3/c1-27-11-10-25(15-16-4-3-5-20(12-16)28-2)21(26)24-19-8-6-17(7-9-19)18-13-22-23-14-18/h3-9,12-14H,10-11,15H2,1-2H3,(H,22,23)(H,24,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 17n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) after 4 hrs by HTRF assay


J Med Chem 56: 3568-81 (2013)


Article DOI: 10.1021/jm400062r
BindingDB Entry DOI: 10.7270/Q28C9XMJ
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50431123
PNG
(CHEMBL2332066)
Show SMILES COCCN(Cc1cccc(OC)c1)C(=O)Nc1ccc(cc1)-c1cn[nH]c1
Show InChI InChI=1S/C21H24N4O3/c1-27-11-10-25(15-16-4-3-5-20(12-16)28-2)21(26)24-19-8-6-17(7-9-19)18-13-22-23-14-18/h3-9,12-14H,10-11,15H2,1-2H3,(H,22,23)(H,24,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Shanghai Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin) using STK2 substrate after 4 hrs by HTRF mode


Bioorg Med Chem 23: 2505-17 (2015)


Article DOI: 10.1016/j.bmc.2015.03.047
BindingDB Entry DOI: 10.7270/Q2ZP47SX
More data for this
Ligand-Target Pair