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BDBM50168798 1-(2-Biphenyl-4-yl-4-cyclopentylamino-butyl)-3-(3,5-dichloro-phenyl)-urea::CHEMBL179325

SMILES: Clc1cc(Cl)cc(NC(=O)NCC(CCNC2CCCC2)c2ccc(cc2)-c2ccccc2)c1

InChI Key: InChIKey=FALDQSPWCQAMAR-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 = 50168798   
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 1


(Homo sapiens (Human))
BDBM50168798
PNG
(1-(2-Biphenyl-4-yl-4-cyclopentylamino-butyl)-3-(3,...)
Show SMILES Clc1cc(Cl)cc(NC(=O)NCC(CCNC2CCCC2)c2ccc(cc2)-c2ccccc2)c1
Show InChI InChI=1S/C28H31Cl2N3O/c29-24-16-25(30)18-27(17-24)33-28(34)32-19-23(14-15-31-26-8-4-5-9-26)22-12-10-21(11-13-22)20-6-2-1-3-7-20/h1-3,6-7,10-13,16-18,23,26,31H,4-5,8-9,14-15,19H2,(H2,32,33,34)
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Article
PubMed
50n/an/an/an/an/an/an/an/a



Pharmacopeia Drug Discovery, Inc.

Curated by ChEMBL


Assay Description
Inhibitiory constant towards Human melanin-concentrating hormone receptor


Bioorg Med Chem Lett 15: 3691-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.039
BindingDB Entry DOI: 10.7270/Q2X066KC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50168798
PNG
(1-(2-Biphenyl-4-yl-4-cyclopentylamino-butyl)-3-(3,...)
Show SMILES Clc1cc(Cl)cc(NC(=O)NCC(CCNC2CCCC2)c2ccc(cc2)-c2ccccc2)c1
Show InChI InChI=1S/C28H31Cl2N3O/c29-24-16-25(30)18-27(17-24)33-28(34)32-19-23(14-15-31-26-8-4-5-9-26)22-12-10-21(11-13-22)20-6-2-1-3-7-20/h1-3,6-7,10-13,16-18,23,26,31H,4-5,8-9,14-15,19H2,(H2,32,33,34)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 50n/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