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BDBM50306098 (S)-4-(5-(2-amino-3-phenylpropoxy)-3-(3-methyl-1H-indazol-5-yl)pyridin-2-yl)but-3-yn-1-ol::CHEMBL592898

SMILES: Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2ccccc2)cnc1C#CCCO

InChI Key: InChIKey=PMHKZESZKHZCSN-NRFANRHFSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50306098   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50306098
PNG
((S)-4-(5-(2-amino-3-phenylpropoxy)-3-(3-methyl-1H-...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2ccccc2)cnc1C#CCCO
Show InChI InChI=1S/C26H26N4O2/c1-18-23-14-20(10-11-26(23)30-29-18)24-15-22(16-28-25(24)9-5-6-12-31)32-17-21(27)13-19-7-3-2-4-8-19/h2-4,7-8,10-11,14-16,21,31H,6,12-13,17,27H2,1H3,(H,29,30)/t21-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 720n/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
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50306098
PNG
((S)-4-(5-(2-amino-3-phenylpropoxy)-3-(3-methyl-1H-...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2ccccc2)cnc1C#CCCO
Show InChI InChI=1S/C26H26N4O2/c1-18-23-14-20(10-11-26(23)30-29-18)24-15-22(16-28-25(24)9-5-6-12-31)32-17-21(27)13-19-7-3-2-4-8-19/h2-4,7-8,10-11,14-16,21,31H,6,12-13,17,27H2,1H3,(H,29,30)/t21-/m0/s1
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CHEMBL
PC cid
PC sid
UniChem

Similars

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