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BDBM50306085 2-(5-((S)-2-amino-3-phenylpropoxy)-3-(3-methyl-1H-indazol-5-yl)pyridin-2-yl)-4,6-difluorophenol::CHEMBL596379

SMILES: Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2ccccc2)cnc1-c1cc(F)cc(F)c1O

InChI Key: InChIKey=LFIQHSLBOKNHLT-FQEVSTJZSA-N

Data: 2 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50306085   
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))
BDBM50306085
PNG
(2-(5-((S)-2-amino-3-phenylpropoxy)-3-(3-methyl-1H-...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2ccccc2)cnc1-c1cc(F)cc(F)c1O |r|
Show InChI InChI=1S/C28H24F2N4O2/c1-16-22-10-18(7-8-26(22)34-33-16)23-13-21(36-15-20(31)9-17-5-3-2-4-6-17)14-32-27(23)24-11-19(29)12-25(30)28(24)35/h2-8,10-14,20,35H,9,15,31H2,1H3,(H,33,34)/t20-/m0/s1
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MMDB

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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))
BDBM50306085
PNG
(2-(5-((S)-2-amino-3-phenylpropoxy)-3-(3-methyl-1H-...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2ccccc2)cnc1-c1cc(F)cc(F)c1O |r|
Show InChI InChI=1S/C28H24F2N4O2/c1-16-22-10-18(7-8-26(22)34-33-16)23-13-21(36-15-20(31)9-17-5-3-2-4-6-17)14-32-27(23)24-11-19(29)12-25(30)28(24)35/h2-8,10-14,20,35H,9,15,31H2,1H3,(H,33,34)/t20-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 63n/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