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BDBM50306086 (2S)-1-(6-(2-methoxyphenyl)-5-(3-methyl-1H-indazol-5-yl)pyridin-3-yloxy)-3-phenylpropan-2-amine::CHEMBL604684

SMILES: COc1ccccc1-c1ncc(OC[C@@H](N)Cc2ccccc2)cc1-c1ccc2[nH]nc(C)c2c1

InChI Key: InChIKey=BWBKOLABVMEUEV-QFIPXVFZSA-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 = 50306086   
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 1


(Homo sapiens (Human))
BDBM50306086
PNG
((2S)-1-(6-(2-methoxyphenyl)-5-(3-methyl-1H-indazol...)
Show SMILES COc1ccccc1-c1ncc(OC[C@@H](N)Cc2ccccc2)cc1-c1ccc2[nH]nc(C)c2c1 |r|
Show InChI InChI=1S/C29H28N4O2/c1-19-25-15-21(12-13-27(25)33-32-19)26-16-23(35-18-22(30)14-20-8-4-3-5-9-20)17-31-29(26)24-10-6-7-11-28(24)34-2/h3-13,15-17,22H,14,18,30H2,1-2H3,(H,32,33)/t22-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


Bioorg Med Chem Lett 20: 673-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.064
BindingDB Entry DOI: 10.7270/Q2D21XQ0
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50306086
PNG
((2S)-1-(6-(2-methoxyphenyl)-5-(3-methyl-1H-indazol...)
Show SMILES COc1ccccc1-c1ncc(OC[C@@H](N)Cc2ccccc2)cc1-c1ccc2[nH]nc(C)c2c1 |r|
Show InChI InChI=1S/C29H28N4O2/c1-19-25-15-21(12-13-27(25)33-32-19)26-16-23(35-18-22(30)14-20-8-4-3-5-9-20)17-31-29(26)24-10-6-7-11-28(24)34-2/h3-13,15-17,22H,14,18,30H2,1-2H3,(H,32,33)/t22-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 100n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of full length AKT1


Bioorg Med Chem Lett 20: 673-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.064
BindingDB Entry DOI: 10.7270/Q2D21XQ0
More data for this
Ligand-Target Pair