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BDBM50214036 (1S,3S)-N1-((5-(difluoromethoxy)-1-methyl-1H-indol-3-yl)methyl)-N3-(7-methoxy-4-methylquinolin-2-yl)cyclopentane-1,3-diamine::CHEMBL399721

SMILES: COc1ccc2c(C)cc(N[C@H]3CC[C@@H](C3)NCc3cn(C)c4ccc(OC(F)F)cc34)nc2c1

InChI Key: InChIKey=CGWZQNJZRFVACE-OALUTQOASA-N

Data: 2 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 = 50214036   
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))
BDBM50214036
PNG
((1S,3S)-N1-((5-(difluoromethoxy)-1-methyl-1H-indol...)
Show SMILES COc1ccc2c(C)cc(N[C@H]3CC[C@@H](C3)NCc3cn(C)c4ccc(OC(F)F)cc34)nc2c1
Show InChI InChI=1S/C27H30F2N4O2/c1-16-10-26(32-24-13-20(34-3)6-8-22(16)24)31-19-5-4-18(11-19)30-14-17-15-33(2)25-9-7-21(12-23(17)25)35-27(28)29/h6-10,12-13,15,18-19,27,30H,4-5,11,14H2,1-3H3,(H,31,32)/t18-,19-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 17: 4232-41 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50214036
PNG
((1S,3S)-N1-((5-(difluoromethoxy)-1-methyl-1H-indol...)
Show SMILES COc1ccc2c(C)cc(N[C@H]3CC[C@@H](C3)NCc3cn(C)c4ccc(OC(F)F)cc34)nc2c1
Show InChI InChI=1S/C27H30F2N4O2/c1-16-10-26(32-24-13-20(34-3)6-8-22(16)24)31-19-5-4-18(11-19)30-14-17-15-33(2)25-9-7-21(12-23(17)25)35-27(28)29/h6-10,12-13,15,18-19,27,30H,4-5,11,14H2,1-3H3,(H,31,32)/t18-,19-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 35n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in HEK293 cells assessed as [35S]GTPgammaS accumulation


Bioorg Med Chem Lett 17: 4232-41 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.034
BindingDB Entry DOI: 10.7270/Q27W6BVC
More data for this
Ligand-Target Pair