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BDBM50351297 CHEMBL1818783

SMILES: CN(C)CC1CCc2cc(NC(=O)c3ccc(cc3)-c3ccc(Cl)cc3)ccc2C1

InChI Key: InChIKey=BXCOFLLLXKXLRK-UHFFFAOYSA-N

Data: 9 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 9 hits for monomerid = 50351297   
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))
BDBM50351297
PNG
(CHEMBL1818783)
Show SMILES CN(C)CC1CCc2cc(NC(=O)c3ccc(cc3)-c3ccc(Cl)cc3)ccc2C1
Show InChI InChI=1S/C26H27ClN2O/c1-29(2)17-18-3-4-23-16-25(14-11-22(23)15-18)28-26(30)21-7-5-19(6-8-21)20-9-12-24(27)13-10-20/h5-14,16,18H,3-4,15,17H2,1-2H3,(H,28,30)
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PubMed
n/an/a 5.30n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH from human MCHR1 expressed in CHO cells after 60 mins by scintillation counting


Bioorg Med Chem 19: 5539-52 (2011)


Article DOI: 10.1016/j.bmc.2011.07.038
BindingDB Entry DOI: 10.7270/Q26H4HT4
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50351297
PNG
(CHEMBL1818783)
Show SMILES CN(C)CC1CCc2cc(NC(=O)c3ccc(cc3)-c3ccc(Cl)cc3)ccc2C1
Show InChI InChI=1S/C26H27ClN2O/c1-29(2)17-18-3-4-23-16-25(14-11-22(23)15-18)28-26(30)21-7-5-19(6-8-21)20-9-12-24(27)13-10-20/h5-14,16,18H,3-4,15,17H2,1-2H3,(H,28,30)
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PubMed
n/an/a 3.40n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH from human MCHR1 expressed in CHO cells after 60 mins by scintillation counting


Bioorg Med Chem 19: 5539-52 (2011)


Article DOI: 10.1016/j.bmc.2011.07.038
BindingDB Entry DOI: 10.7270/Q26H4HT4
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50351297
PNG
(CHEMBL1818783)
Show SMILES CN(C)CC1CCc2cc(NC(=O)c3ccc(cc3)-c3ccc(Cl)cc3)ccc2C1
Show InChI InChI=1S/C26H27ClN2O/c1-29(2)17-18-3-4-23-16-25(14-11-22(23)15-18)28-26(30)21-7-5-19(6-8-21)20-9-12-24(27)13-10-20/h5-14,16,18H,3-4,15,17H2,1-2H3,(H,28,30)
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PubMed
n/an/a 9.40n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHO cells assessed as inhibition of MCH-induced GTPgammaS binding after 60 mins by scintillation coun...


Bioorg Med Chem 19: 5539-52 (2011)


Article DOI: 10.1016/j.bmc.2011.07.038
BindingDB Entry DOI: 10.7270/Q26H4HT4
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50351297
PNG
(CHEMBL1818783)
Show SMILES CN(C)CC1CCc2cc(NC(=O)c3ccc(cc3)-c3ccc(Cl)cc3)ccc2C1
Show InChI InChI=1S/C26H27ClN2O/c1-29(2)17-18-3-4-23-16-25(14-11-22(23)15-18)28-26(30)21-7-5-19(6-8-21)20-9-12-24(27)13-10-20/h5-14,16,18H,3-4,15,17H2,1-2H3,(H,28,30)
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PubMed
n/an/a 9.10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHO cells assessed as inhibition of MCH-induced GTPgammaS binding after 60 mins by scintillation coun...


Bioorg Med Chem 19: 5539-52 (2011)


Article DOI: 10.1016/j.bmc.2011.07.038
BindingDB Entry DOI: 10.7270/Q26H4HT4
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50351297
PNG
(CHEMBL1818783)
Show SMILES CN(C)CC1CCc2cc(NC(=O)c3ccc(cc3)-c3ccc(Cl)cc3)ccc2C1
Show InChI InChI=1S/C26H27ClN2O/c1-29(2)17-18-3-4-23-16-25(14-11-22(23)15-18)28-26(30)21-7-5-19(6-8-21)20-9-12-24(27)13-10-20/h5-14,16,18H,3-4,15,17H2,1-2H3,(H,28,30)
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Article
PubMed
n/an/a 3.5n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH from human MCHR1 expressed in CHO cells after 60 mins by scintillation counting


Bioorg Med Chem 19: 5539-52 (2011)


Article DOI: 10.1016/j.bmc.2011.07.038
BindingDB Entry DOI: 10.7270/Q26H4HT4
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50351297
PNG
(CHEMBL1818783)
Show SMILES CN(C)CC1CCc2cc(NC(=O)c3ccc(cc3)-c3ccc(Cl)cc3)ccc2C1
Show InChI InChI=1S/C26H27ClN2O/c1-29(2)17-18-3-4-23-16-25(14-11-22(23)15-18)28-26(30)21-7-5-19(6-8-21)20-9-12-24(27)13-10-20/h5-14,16,18H,3-4,15,17H2,1-2H3,(H,28,30)
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Article
PubMed
n/an/a 6.20n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH from rat MCHR1 expressed in CHO cells after 60 mins by scintillation counting


Bioorg Med Chem 19: 5539-52 (2011)


Article DOI: 10.1016/j.bmc.2011.07.038
BindingDB Entry DOI: 10.7270/Q26H4HT4
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50351297
PNG
(CHEMBL1818783)
Show SMILES CN(C)CC1CCc2cc(NC(=O)c3ccc(cc3)-c3ccc(Cl)cc3)ccc2C1
Show InChI InChI=1S/C26H27ClN2O/c1-29(2)17-18-3-4-23-16-25(14-11-22(23)15-18)28-26(30)21-7-5-19(6-8-21)20-9-12-24(27)13-10-20/h5-14,16,18H,3-4,15,17H2,1-2H3,(H,28,30)
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Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHO cells assessed as inhibition of MCH-induced GTPgammaS binding after 60 mins by scintillation coun...


Bioorg Med Chem 19: 5539-52 (2011)


Article DOI: 10.1016/j.bmc.2011.07.038
BindingDB Entry DOI: 10.7270/Q26H4HT4
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50351297
PNG
(CHEMBL1818783)
Show SMILES CN(C)CC1CCc2cc(NC(=O)c3ccc(cc3)-c3ccc(Cl)cc3)ccc2C1
Show InChI InChI=1S/C26H27ClN2O/c1-29(2)17-18-3-4-23-16-25(14-11-22(23)15-18)28-26(30)21-7-5-19(6-8-21)20-9-12-24(27)13-10-20/h5-14,16,18H,3-4,15,17H2,1-2H3,(H,28,30)
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Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH from rat MCHR1 expressed in CHO cells after 60 mins by scintillation counting


Bioorg Med Chem 19: 5539-52 (2011)


Article DOI: 10.1016/j.bmc.2011.07.038
BindingDB Entry DOI: 10.7270/Q26H4HT4
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50351297
PNG
(CHEMBL1818783)
Show SMILES CN(C)CC1CCc2cc(NC(=O)c3ccc(cc3)-c3ccc(Cl)cc3)ccc2C1
Show InChI InChI=1S/C26H27ClN2O/c1-29(2)17-18-3-4-23-16-25(14-11-22(23)15-18)28-26(30)21-7-5-19(6-8-21)20-9-12-24(27)13-10-20/h5-14,16,18H,3-4,15,17H2,1-2H3,(H,28,30)
Reactome pathway
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GoogleScholar
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CHEMBL
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PC sid
UniChem

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Article
PubMed
n/an/a 5.30n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH from rat MCHR1 expressed in CHO cells after 60 mins by scintillation counting


Bioorg Med Chem 19: 5539-52 (2011)


Article DOI: 10.1016/j.bmc.2011.07.038
BindingDB Entry DOI: 10.7270/Q26H4HT4
More data for this
Ligand-Target Pair