BindingDB logo
myBDB logout

BDBM50246458 4-(2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-3H-benzo[d]imidazol-5-yl)pyrimidin-2-amine::4-(2-(6-methoxychroman-3-yl)-1H-benzo[d]imidazol-6-yl)pyrimidin-2-amine::CHEMBL454638

SMILES: COc1ccc2OCC(Cc2c1)c1nc2cc(ccc2[nH]1)-c1ccnc(N)n1

InChI Key: InChIKey=WEEWAVMLLVLCNC-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50246458   
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))
BDBM50246458
PNG
(4-(2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-3H-be...)
Show SMILES COc1ccc2OCC(Cc2c1)c1nc2cc(ccc2[nH]1)-c1ccnc(N)n1
Show InChI InChI=1S/C21H19N5O2/c1-27-15-3-5-19-13(9-15)8-14(11-28-19)20-24-17-4-2-12(10-18(17)25-20)16-6-7-23-21(22)26-16/h2-7,9-10,14H,8,11H2,1H3,(H,24,25)(H2,22,23,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Patents


Similars

Article
PubMed
n/an/a 99n/an/an/an/an/an/a



The Scripps Research Institute Florida

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 assessed as myosin light chain phosphorylation by cell-based assay


Bioorg Med Chem Lett 18: 6390-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.095
BindingDB Entry DOI: 10.7270/Q2T43SX6
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50246458
PNG
(4-(2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-3H-be...)
Show SMILES COc1ccc2OCC(Cc2c1)c1nc2cc(ccc2[nH]1)-c1ccnc(N)n1
Show InChI InChI=1S/C21H19N5O2/c1-27-15-3-5-19-13(9-15)8-14(11-28-19)20-24-17-4-2-12(10-18(17)25-20)16-6-7-23-21(22)26-16/h2-7,9-10,14H,8,11H2,1H3,(H,24,25)(H2,22,23,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Patents


Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



The Scripps Research Institute Florida

Curated by ChEMBL


Assay Description
Inhibition of ROCK2 (unknown origin)


Bioorg Med Chem Lett 18: 6390-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.095
BindingDB Entry DOI: 10.7270/Q2T43SX6
More data for this
Ligand-Target Pair