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BDBM50306099 (S)-4-(5-(2-amino-3-phenylpropoxy)-3-(3-methyl-1H-indazol-5-yl)pyridin-2-yl)-2-methylbut-3-yn-2-ol::CHEMBL594750

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

InChI Key: InChIKey=SLOGHVOSBVGLSQ-NRFANRHFSA-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 = 50306099   
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
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50306099
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#CC(C)(C)O |r|
Show InChI InChI=1S/C27H28N4O2/c1-18-23-14-20(9-10-26(23)31-30-18)24-15-22(16-29-25(24)11-12-27(2,3)32)33-17-21(28)13-19-7-5-4-6-8-19/h4-10,14-16,21,32H,13,17,28H2,1-3H3,(H,30,31)/t21-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.05E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of truncated 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))
BDBM50306099
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#CC(C)(C)O |r|
Show InChI InChI=1S/C27H28N4O2/c1-18-23-14-20(9-10-26(23)31-30-18)24-15-22(16-29-25(24)11-12-27(2,3)32)33-17-21(28)13-19-7-5-4-6-8-19/h4-10,14-16,21,32H,13,17,28H2,1-3H3,(H,30,31)/t21-/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