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BDBM50379789 CHEMBL2011534

SMILES: N[C@H]1CN(C[C@@H]1c1cc(F)c(F)cc1F)c1ccc(cn1)-n1ccc(OCc2ccccc2)cc1=O

InChI Key: InChIKey=IXRYCRCZOSRBDA-BWKNWUBXSA-N

Data: 5 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50379789   
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
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50379789
PNG
(CHEMBL2011534)
Show SMILES N[C@H]1CN(C[C@@H]1c1cc(F)c(F)cc1F)c1ccc(cn1)-n1ccc(OCc2ccccc2)cc1=O |r|
Show InChI InChI=1S/C27H23F3N4O2/c28-22-12-24(30)23(29)11-20(22)21-14-33(15-25(21)31)26-7-6-18(13-32-26)34-9-8-19(10-27(34)35)36-16-17-4-2-1-3-5-17/h1-13,21,25H,14-16,31H2/t21-,25+/m1/s1
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n/an/a 110n/an/an/an/an/an/a



Prosidion Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human MCH1R expressed in CHO cells assessed as inhibition of MCH-induced response


Bioorg Med Chem Lett 22: 2464-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.010
BindingDB Entry DOI: 10.7270/Q2SX6F7V
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50379789
PNG
(CHEMBL2011534)
Show SMILES N[C@H]1CN(C[C@@H]1c1cc(F)c(F)cc1F)c1ccc(cn1)-n1ccc(OCc2ccccc2)cc1=O |r|
Show InChI InChI=1S/C27H23F3N4O2/c28-22-12-24(30)23(29)11-20(22)21-14-33(15-25(21)31)26-7-6-18(13-32-26)34-9-8-19(10-27(34)35)36-16-17-4-2-1-3-5-17/h1-13,21,25H,14-16,31H2/t21-,25+/m1/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Prosidion Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DPP4 using H-Gly-Pro-7-amino-4-methylcoumarin as substrate assessed as inhibition of 7-amino-4-methylcoumarin formati...


Bioorg Med Chem Lett 22: 2464-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.010
BindingDB Entry DOI: 10.7270/Q2SX6F7V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50379789
PNG
(CHEMBL2011534)
Show SMILES N[C@H]1CN(C[C@@H]1c1cc(F)c(F)cc1F)c1ccc(cn1)-n1ccc(OCc2ccccc2)cc1=O |r|
Show InChI InChI=1S/C27H23F3N4O2/c28-22-12-24(30)23(29)11-20(22)21-14-33(15-25(21)31)26-7-6-18(13-32-26)34-9-8-19(10-27(34)35)36-16-17-4-2-1-3-5-17/h1-13,21,25H,14-16,31H2/t21-,25+/m1/s1
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n/an/a 6.10E+3n/an/an/an/an/an/a



Prosidion Ltd

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 22: 2464-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.010
BindingDB Entry DOI: 10.7270/Q2SX6F7V
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50379789
PNG
(CHEMBL2011534)
Show SMILES N[C@H]1CN(C[C@@H]1c1cc(F)c(F)cc1F)c1ccc(cn1)-n1ccc(OCc2ccccc2)cc1=O |r|
Show InChI InChI=1S/C27H23F3N4O2/c28-22-12-24(30)23(29)11-20(22)21-14-33(15-25(21)31)26-7-6-18(13-32-26)34-9-8-19(10-27(34)35)36-16-17-4-2-1-3-5-17/h1-13,21,25H,14-16,31H2/t21-,25+/m1/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Prosidion Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP9


Bioorg Med Chem Lett 22: 2464-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.010
BindingDB Entry DOI: 10.7270/Q2SX6F7V
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50379789
PNG
(CHEMBL2011534)
Show SMILES N[C@H]1CN(C[C@@H]1c1cc(F)c(F)cc1F)c1ccc(cn1)-n1ccc(OCc2ccccc2)cc1=O |r|
Show InChI InChI=1S/C27H23F3N4O2/c28-22-12-24(30)23(29)11-20(22)21-14-33(15-25(21)31)26-7-6-18(13-32-26)34-9-8-19(10-27(34)35)36-16-17-4-2-1-3-5-17/h1-13,21,25H,14-16,31H2/t21-,25+/m1/s1
PDB

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PC sid
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Article
PubMed
n/an/a 2.60E+3n/an/an/an/an/an/a



Prosidion Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP8


Bioorg Med Chem Lett 22: 2464-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.010
BindingDB Entry DOI: 10.7270/Q2SX6F7V
More data for this
Ligand-Target Pair