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BDBM50324573 (R)-N-(2-(2-(Dimethylamino)ethoxy)-4-(1H-pyrazol-4-yl)-phenyl)-6-chloro-1,2,3,4-tetrahydroiso-quinoline-3-carboxamide::CHEMBL1215169

SMILES: CN(C)CCOc1cc(ccc1NC(=O)[C@H]1Cc2cc(Cl)ccc2CN1)-c1cn[nH]c1

InChI Key: InChIKey=DTFXMUGNPMSNRG-OAQYLSRUSA-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 = 50324573   
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))
BDBM50324573
PNG
((R)-N-(2-(2-(Dimethylamino)ethoxy)-4-(1H-pyrazol-4...)
Show SMILES CN(C)CCOc1cc(ccc1NC(=O)[C@H]1Cc2cc(Cl)ccc2CN1)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C23H26ClN5O2/c1-29(2)7-8-31-22-11-15(18-13-26-27-14-18)4-6-20(22)28-23(30)21-10-17-9-19(24)5-3-16(17)12-25-21/h3-6,9,11,13-14,21,25H,7-8,10,12H2,1-2H3,(H,26,27)(H,28,30)/t21-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 52n/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
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50324573
PNG
((R)-N-(2-(2-(Dimethylamino)ethoxy)-4-(1H-pyrazol-4...)
Show SMILES CN(C)CCOc1cc(ccc1NC(=O)[C@H]1Cc2cc(Cl)ccc2CN1)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C23H26ClN5O2/c1-29(2)7-8-31-22-11-15(18-13-26-27-14-18)4-6-20(22)28-23(30)21-10-17-9-19(24)5-3-16(17)12-25-21/h3-6,9,11,13-14,21,25H,7-8,10,12H2,1-2H3,(H,26,27)(H,28,30)/t21-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 7n/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