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BDBM50186826 4'-[6-benzyl-1-(5-fluoro-6-trifluoromethyl-1H-benzoimidazol-2-yl)-6-aza-spiro[2.5]oct-1-yl]-biphenyl-3-carbonitrile::CHEMBL429895

SMILES: Fc1cc2[nH]c(nc2cc1C(F)(F)F)C1(CC11CCN(Cc2ccccc2)CC1)c1ccc(cc1)-c1cccc(c1)C#N

InChI Key: InChIKey=NHYLZUCRHZRFCY-UHFFFAOYSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50186826   
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))
BDBM50186826
PNG
(4'-[6-benzyl-1-(5-fluoro-6-trifluoromethyl-1H-benz...)
Show SMILES Fc1cc2[nH]c(nc2cc1C(F)(F)F)C1(CC11CCN(Cc2ccccc2)CC1)c1ccc(cc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C35H28F4N4/c36-29-19-31-30(18-28(29)35(37,38)39)41-32(42-31)34(27-11-9-25(10-12-27)26-8-4-7-24(17-26)20-40)22-33(34)13-15-43(16-14-33)21-23-5-2-1-3-6-23/h1-12,17-19H,13-16,21-22H2,(H,41,42)
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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
10n/an/an/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human MCHR1 assessed as inhibition of MCH-mediated calcium ion influx by FLIPR assay


Bioorg Med Chem Lett 16: 3674-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.062
BindingDB Entry DOI: 10.7270/Q2XG9QQB
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50186826
PNG
(4'-[6-benzyl-1-(5-fluoro-6-trifluoromethyl-1H-benz...)
Show SMILES Fc1cc2[nH]c(nc2cc1C(F)(F)F)C1(CC11CCN(Cc2ccccc2)CC1)c1ccc(cc1)-c1cccc(c1)C#N
Show InChI InChI=1S/C35H28F4N4/c36-29-19-31-30(18-28(29)35(37,38)39)41-32(42-31)34(27-11-9-25(10-12-27)26-8-4-7-24(17-26)20-40)22-33(34)13-15-43(16-14-33)21-23-5-2-1-3-6-23/h1-12,17-19H,13-16,21-22H2,(H,41,42)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at MCHR1 (unknown origin) expressed in CHO cells co-expressing aequorin incubated for 10 mins by luminescence assay


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126741
More data for this
Ligand-Target Pair