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BDBM50324588 2-Amino-2-(4-chlorophenyl)-N-(2-(2-(dimethylamino)ethoxy)-4-(1H-pyrazol-4-yl)phenyl)aceta-mide::CHEMBL1215023

SMILES: CN(C)CCOc1cc(ccc1NC(=O)C(N)c1ccc(Cl)cc1)-c1cn[nH]c1

InChI Key: InChIKey=WFSCKXAZYAROMK-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 = 50324588   
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))
BDBM50324588
PNG
(2-Amino-2-(4-chlorophenyl)-N-(2-(2-(dimethylamino)...)
Show SMILES CN(C)CCOc1cc(ccc1NC(=O)C(N)c1ccc(Cl)cc1)-c1cn[nH]c1
Show InChI InChI=1S/C21H24ClN5O2/c1-27(2)9-10-29-19-11-15(16-12-24-25-13-16)5-8-18(19)26-21(28)20(23)14-3-6-17(22)7-4-14/h3-8,11-13,20H,9-10,23H2,1-2H3,(H,24,25)(H,26,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 22n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of ROCK2


J Med Chem 53: 5727-37 (2010)


Article DOI: 10.1021/jm100579r
BindingDB Entry DOI: 10.7270/Q2833S8C
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50324588
PNG
(2-Amino-2-(4-chlorophenyl)-N-(2-(2-(dimethylamino)...)
Show SMILES CN(C)CCOc1cc(ccc1NC(=O)C(N)c1ccc(Cl)cc1)-c1cn[nH]c1
Show InChI InChI=1S/C21H24ClN5O2/c1-27(2)9-10-29-19-11-15(16-12-24-25-13-16)5-8-18(19)26-21(28)20(23)14-3-6-17(22)7-4-14/h3-8,11-13,20H,9-10,23H2,1-2H3,(H,24,25)(H,26,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 310n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


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


J Med Chem 53: 5727-37 (2010)


Article DOI: 10.1021/jm100579r
BindingDB Entry DOI: 10.7270/Q2833S8C
More data for this
Ligand-Target Pair