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BDBM50383090 CHEMBL2031730

SMILES: Cc1cc2cc(CN3CCCC3)cnc2cc1NC(=O)c1ccc(cc1)-c1ccc(F)cc1

InChI Key: InChIKey=AQUDLJKDUONUMG-UHFFFAOYSA-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 = 50383090   
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))
BDBM50383090
PNG
(CHEMBL2031730)
Show SMILES Cc1cc2cc(CN3CCCC3)cnc2cc1NC(=O)c1ccc(cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C28H26FN3O/c1-19-14-24-15-20(18-32-12-2-3-13-32)17-30-27(24)16-26(19)31-28(33)23-6-4-21(5-7-23)22-8-10-25(29)11-9-22/h4-11,14-17H,2-3,12-13,18H2,1H3,(H,31,33)
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PC cid
PC sid
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Article
PubMed
n/an/a 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 [3H]arachidonic acid release after 16 hrs by liquid s...


J Med Chem 55: 2353-66 (2012)


Article DOI: 10.1021/jm201596h
BindingDB Entry DOI: 10.7270/Q2GH9JZQ
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50383090
PNG
(CHEMBL2031730)
Show SMILES Cc1cc2cc(CN3CCCC3)cnc2cc1NC(=O)c1ccc(cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C28H26FN3O/c1-19-14-24-15-20(18-32-12-2-3-13-32)17-30-27(24)16-26(19)31-28(33)23-6-4-21(5-7-23)22-8-10-25(29)11-9-22/h4-11,14-17H,2-3,12-13,18H2,1H3,(H,31,33)
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PubMed
n/an/a 1.30n/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 1 hr by scintillation counting


J Med Chem 55: 2353-66 (2012)


Article DOI: 10.1021/jm201596h
BindingDB Entry DOI: 10.7270/Q2GH9JZQ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50383090
PNG
(CHEMBL2031730)
Show SMILES Cc1cc2cc(CN3CCCC3)cnc2cc1NC(=O)c1ccc(cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C28H26FN3O/c1-19-14-24-15-20(18-32-12-2-3-13-32)17-30-27(24)16-26(19)31-28(33)23-6-4-21(5-7-23)22-8-10-25(29)11-9-22/h4-11,14-17H,2-3,12-13,18H2,1H3,(H,31,33)
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PC sid
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Article
PubMed
n/an/a 7.40n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5HT2C receptor expressed in CHO cells after 1 hr by scintillation counting


J Med Chem 55: 2353-66 (2012)


Article DOI: 10.1021/jm201596h
BindingDB Entry DOI: 10.7270/Q2GH9JZQ
More data for this
Ligand-Target Pair