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BDBM50364169 CHEMBL1951612

SMILES: CC#CCn1c(N2CCCNCC2)c(C#N)c2n(C)c(=O)n(Cc3nccc4ccccc34)c(=O)c12

InChI Key: InChIKey=NQNTUCLHZLYJJD-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50364169   
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))
BDBM50364169
PNG
(CHEMBL1951612)
Show SMILES CC#CCn1c(N2CCCNCC2)c(C#N)c2n(C)c(=O)n(Cc3nccc4ccccc34)c(=O)c12
Show InChI InChI=1S/C27H27N7O2/c1-3-4-15-33-24-23(21(17-28)25(33)32-14-7-11-29-13-16-32)31(2)27(36)34(26(24)35)18-22-20-9-6-5-8-19(20)10-12-30-22/h5-6,8-10,12,29H,7,11,13-16,18H2,1-2H3
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Article
PubMed
n/an/a 3.40E+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))
BDBM50364169
PNG
(CHEMBL1951612)
Show SMILES CC#CCn1c(N2CCCNCC2)c(C#N)c2n(C)c(=O)n(Cc3nccc4ccccc34)c(=O)c12
Show InChI InChI=1S/C27H27N7O2/c1-3-4-15-33-24-23(21(17-28)25(33)32-14-7-11-29-13-16-32)31(2)27(36)34(26(24)35)18-22-20-9-6-5-8-19(20)10-12-30-22/h5-6,8-10,12,29H,7,11,13-16,18H2,1-2H3
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Article
PubMed
n/an/a 5n/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))
BDBM50364169
PNG
(CHEMBL1951612)
Show SMILES CC#CCn1c(N2CCCNCC2)c(C#N)c2n(C)c(=O)n(Cc3nccc4ccccc34)c(=O)c12
Show InChI InChI=1S/C27H27N7O2/c1-3-4-15-33-24-23(21(17-28)25(33)32-14-7-11-29-13-16-32)31(2)27(36)34(26(24)35)18-22-20-9-6-5-8-19(20)10-12-30-22/h5-6,8-10,12,29H,7,11,13-16,18H2,1-2H3
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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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50364169
PNG
(CHEMBL1951612)
Show SMILES CC#CCn1c(N2CCCNCC2)c(C#N)c2n(C)c(=O)n(Cc3nccc4ccccc34)c(=O)c12
Show InChI InChI=1S/C27H27N7O2/c1-3-4-15-33-24-23(21(17-28)25(33)32-14-7-11-29-13-16-32)31(2)27(36)34(26(24)35)18-22-20-9-6-5-8-19(20)10-12-30-22/h5-6,8-10,12,29H,7,11,13-16,18H2,1-2H3
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Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human ERG by Qpatch 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