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BDBM50324586 (R)-N-(2-(2-(Dimethylamino)ethoxy)-6-fluoro-4-(1H-pyrazol-4-yl)phenyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide::CHEMBL1215455

SMILES: COc1ccc2CN[C@H](Cc2c1)C(=O)Nc1c(F)cc(cc1OCCN(C)C)-c1cn[nH]c1

InChI Key: InChIKey=SWEIFXYFQSCGFH-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 = 50324586   
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))
BDBM50324586
PNG
((R)-N-(2-(2-(Dimethylamino)ethoxy)-6-fluoro-4-(1H-...)
Show SMILES COc1ccc2CN[C@H](Cc2c1)C(=O)Nc1c(F)cc(cc1OCCN(C)C)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C24H28FN5O3/c1-30(2)6-7-33-22-11-17(18-13-27-28-14-18)9-20(25)23(22)29-24(31)21-10-16-8-19(32-3)5-4-15(16)12-26-21/h4-5,8-9,11,13-14,21,26H,6-7,10,12H2,1-3H3,(H,27,28)(H,29,31)/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 190n/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))
BDBM50324586
PNG
((R)-N-(2-(2-(Dimethylamino)ethoxy)-6-fluoro-4-(1H-...)
Show SMILES COc1ccc2CN[C@H](Cc2c1)C(=O)Nc1c(F)cc(cc1OCCN(C)C)-c1cn[nH]c1 |r|
Show InChI InChI=1S/C24H28FN5O3/c1-30(2)6-7-33-22-11-17(18-13-27-28-14-18)9-20(25)23(22)29-24(31)21-10-16-8-19(32-3)5-4-15(16)12-26-21/h4-5,8-9,11,13-14,21,26H,6-7,10,12H2,1-3H3,(H,27,28)(H,29,31)/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 23n/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