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BDBM50364173 CHEMBL1951599

SMILES: [#6]\[#6](-[#6])=[#6]\[#6]-n1c(-[#7]-2-[#6]-[#6]-[#6]-[#6@H](-[#7])-[#6]-2)c(C#N)c2n(-[#6])c(=O)n(-[#6]-c3nccc4ccccc34)c(=O)c12

InChI Key: InChIKey=HGHVKBWSAOTJGC-FQEVSTJZSA-N

Data: 3 IC50

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

Found 3 hits for monomerid = 50364173   
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))
BDBM50364173
PNG
(CHEMBL1951599)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-n1c(-[#7]-2-[#6]-[#6]-[#6]-[#6@H](-[#7])-[#6]-2)c(C#N)c2n(-[#6])c(=O)n(-[#6]-c3nccc4ccccc34)c(=O)c12 |r|
Show InChI InChI=1S/C28H31N7O2/c1-18(2)11-14-34-25-24(22(15-29)26(34)33-13-6-8-20(30)16-33)32(3)28(37)35(27(25)36)17-23-21-9-5-4-7-19(21)10-12-31-23/h4-5,7,9-12,20H,6,8,13-14,16-17,30H2,1-3H3/t20-/m0/s1
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Article
PubMed
n/an/a 9.00E+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))
BDBM50364173
PNG
(CHEMBL1951599)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-n1c(-[#7]-2-[#6]-[#6]-[#6]-[#6@H](-[#7])-[#6]-2)c(C#N)c2n(-[#6])c(=O)n(-[#6]-c3nccc4ccccc34)c(=O)c12 |r|
Show InChI InChI=1S/C28H31N7O2/c1-18(2)11-14-34-25-24(22(15-29)26(34)33-13-6-8-20(30)16-33)32(3)28(37)35(27(25)36)17-23-21-9-5-4-7-19(21)10-12-31-23/h4-5,7,9-12,20H,6,8,13-14,16-17,30H2,1-3H3/t20-/m0/s1
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Article
PubMed
n/an/a 1n/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))
BDBM50364173
PNG
(CHEMBL1951599)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-n1c(-[#7]-2-[#6]-[#6]-[#6]-[#6@H](-[#7])-[#6]-2)c(C#N)c2n(-[#6])c(=O)n(-[#6]-c3nccc4ccccc34)c(=O)c12 |r|
Show InChI InChI=1S/C28H31N7O2/c1-18(2)11-14-34-25-24(22(15-29)26(34)33-13-6-8-20(30)16-33)32(3)28(37)35(27(25)36)17-23-21-9-5-4-7-19(21)10-12-31-23/h4-5,7,9-12,20H,6,8,13-14,16-17,30H2,1-3H3/t20-/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