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BDBM25005 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-(3-aminopropoxy)-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]but-3-yn-1-ol::oxadiazole-containing compound, 12d

SMILES: CCn1c(nc2c(ncc(OCCCN)c12)C#CCCO)-c1nonc1N

InChI Key: InChIKey=BNYVNKCEEQZWJL-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 25005   
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


(Homo sapiens (Human))
BDBM25005
PNG
(4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-(3-aminoprop...)
Show SMILES CCn1c(nc2c(ncc(OCCCN)c12)C#CCCO)-c1nonc1N
Show InChI InChI=1S/C17H21N7O3/c1-2-24-15-12(26-9-5-7-18)10-20-11(6-3-4-8-25)13(15)21-17(24)14-16(19)23-27-22-14/h10,25H,2,4-5,7-9,18H2,1H3,(H2,19,23)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 50n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...


J Med Chem 51: 5663-79 (2008)


Article DOI: 10.1021/jm8004527
BindingDB Entry DOI: 10.7270/Q29G5K3H
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 1


(Homo sapiens (Human))
BDBM25005
PNG
(4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-(3-aminoprop...)
Show SMILES CCn1c(nc2c(ncc(OCCCN)c12)C#CCCO)-c1nonc1N
Show InChI InChI=1S/C17H21N7O3/c1-2-24-15-12(26-9-5-7-18)10-20-11(6-3-4-8-25)13(15)21-17(24)14-16(19)23-27-22-14/h10,25H,2,4-5,7-9,18H2,1H3,(H2,19,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...


J Med Chem 51: 5663-79 (2008)


Article DOI: 10.1021/jm8004527
BindingDB Entry DOI: 10.7270/Q29G5K3H
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM25005
PNG
(4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-(3-aminoprop...)
Show SMILES CCn1c(nc2c(ncc(OCCCN)c12)C#CCCO)-c1nonc1N
Show InChI InChI=1S/C17H21N7O3/c1-2-24-15-12(26-9-5-7-18)10-20-11(6-3-4-8-25)13(15)21-17(24)14-16(19)23-27-22-14/h10,25H,2,4-5,7-9,18H2,1H3,(H2,19,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 126n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...


J Med Chem 51: 5663-79 (2008)


Article DOI: 10.1021/jm8004527
BindingDB Entry DOI: 10.7270/Q29G5K3H
More data for this
Ligand-Target Pair