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BDBM50306088 (S)-3-(5-(2-amino-3-phenylpropoxy)-3-(3-methyl-1H-indazol-5-yl)pyridin-2-yl)phenol::CHEMBL595684

SMILES: Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2ccccc2)cnc1-c1cccc(O)c1

InChI Key: InChIKey=DGGUKZUZMYVZMB-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 = 50306088   
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))
BDBM50306088
PNG
((S)-3-(5-(2-amino-3-phenylpropoxy)-3-(3-methyl-1H-...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2ccccc2)cnc1-c1cccc(O)c1 |r|
Show InChI InChI=1S/C28H26N4O2/c1-18-25-14-20(10-11-27(25)32-31-18)26-15-24(16-30-28(26)21-8-5-9-23(33)13-21)34-17-22(29)12-19-6-3-2-4-7-19/h2-11,13-16,22,33H,12,17,29H2,1H3,(H,31,32)/t22-/m0/s1
PDB
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))
BDBM50306088
PNG
((S)-3-(5-(2-amino-3-phenylpropoxy)-3-(3-methyl-1H-...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2ccccc2)cnc1-c1cccc(O)c1 |r|
Show InChI InChI=1S/C28H26N4O2/c1-18-25-14-20(10-11-27(25)32-31-18)26-15-24(16-30-28(26)21-8-5-9-23(33)13-21)34-17-22(29)12-19-6-3-2-4-7-19/h2-11,13-16,22,33H,12,17,29H2,1H3,(H,31,32)/t22-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 79n/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