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BDBM50364177 CHEMBL1951603

SMILES: COc1cccc(c1)C(=O)Cn1c(=O)n(C)c2c(C#N)c(N3CCC[C@H](N)C3)n(CC#CC)c2c1=O

InChI Key: InChIKey=BGXXKJRUEAILQH-SFHVURJKSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50364177   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50364177
PNG
(CHEMBL1951603)
Show SMILES COc1cccc(c1)C(=O)Cn1c(=O)n(C)c2c(C#N)c(N3CCC[C@H](N)C3)n(CC#CC)c2c1=O |r|
Show InChI InChI=1S/C26H28N6O4/c1-4-5-12-31-23-22(20(14-27)24(31)30-11-7-9-18(28)15-30)29(2)26(35)32(25(23)34)16-21(33)17-8-6-10-19(13-17)36-3/h6,8,10,13,18H,7,9,11-12,15-16,28H2,1-3H3/t18-/m0/s1
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Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human ERG by dofetilide binding assay


Bioorg Med Chem Lett 22: 1464-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.054
BindingDB Entry DOI: 10.7270/Q2SF2WN8
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50364177
PNG
(CHEMBL1951603)
Show SMILES COc1cccc(c1)C(=O)Cn1c(=O)n(C)c2c(C#N)c(N3CCC[C@H](N)C3)n(CC#CC)c2c1=O |r|
Show InChI InChI=1S/C26H28N6O4/c1-4-5-12-31-23-22(20(14-27)24(31)30-11-7-9-18(28)15-30)29(2)26(35)32(25(23)34)16-21(33)17-8-6-10-19(13-17)36-3/h6,8,10,13,18H,7,9,11-12,15-16,28H2,1-3H3/t18-/m0/s1
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Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal step-tagged DPP4 expressed using baculovirus system


Bioorg Med Chem Lett 22: 1464-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.054
BindingDB Entry DOI: 10.7270/Q2SF2WN8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50364177
PNG
(CHEMBL1951603)
Show SMILES COc1cccc(c1)C(=O)Cn1c(=O)n(C)c2c(C#N)c(N3CCC[C@H](N)C3)n(CC#CC)c2c1=O |r|
Show InChI InChI=1S/C26H28N6O4/c1-4-5-12-31-23-22(20(14-27)24(31)30-11-7-9-18(28)15-30)29(2)26(35)32(25(23)34)16-21(33)17-8-6-10-19(13-17)36-3/h6,8,10,13,18H,7,9,11-12,15-16,28H2,1-3H3/t18-/m0/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of M1 receptor


Bioorg Med Chem Lett 22: 1464-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.054
BindingDB Entry DOI: 10.7270/Q2SF2WN8
More data for this
Ligand-Target Pair