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BDBM50431136 CHEMBL2332070

SMILES: COc1cccc(CN(CCCN2CCCC2)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1

InChI Key: InChIKey=NVKYTICRJOAXIM-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 = 50431136   
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))
BDBM50431136
PNG
(CHEMBL2332070)
Show SMILES COc1cccc(CN(CCCN2CCCC2)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C25H31N5O2/c1-32-24-7-4-6-20(16-24)19-30(15-5-14-29-12-2-3-13-29)25(31)28-23-10-8-21(9-11-23)22-17-26-27-18-22/h4,6-11,16-18H,2-3,5,12-15,19H2,1H3,(H,26,27)(H,28,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/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))
BDBM50431136
PNG
(CHEMBL2332070)
Show SMILES COc1cccc(CN(CCCN2CCCC2)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C25H31N5O2/c1-32-24-7-4-6-20(16-24)19-30(15-5-14-29-12-2-3-13-29)25(31)28-23-10-8-21(9-11-23)22-17-26-27-18-22/h4,6-11,16-18H,2-3,5,12-15,19H2,1H3,(H,26,27)(H,28,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/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))
BDBM50431136
PNG
(CHEMBL2332070)
Show SMILES COc1cccc(CN(CCCN2CCCC2)C(=O)Nc2ccc(cc2)-c2cn[nH]c2)c1
Show InChI InChI=1S/C25H31N5O2/c1-32-24-7-4-6-20(16-24)19-30(15-5-14-29-12-2-3-13-29)25(31)28-23-10-8-21(9-11-23)22-17-26-27-18-22/h4,6-11,16-18H,2-3,5,12-15,19H2,1H3,(H,26,27)(H,28,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/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