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BDBM50381518 CHEMBL2017751

SMILES: Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)N1CC(C)(C)OC1=O

InChI Key: InChIKey=VJWQBVKSCZYOTH-IZZDOVSWSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50381518   
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))
BDBM50381518
PNG
(CHEMBL2017751)
Show SMILES Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)N1CC(C)(C)OC1=O
Show InChI InChI=1S/C29H30F3N5O4/c1-18-23-16-20(34-25(38)11-6-19-4-8-22(9-5-19)40-29(30,31)32)7-10-24(23)35-26(33-18)36-14-12-21(13-15-36)37-17-28(2,3)41-27(37)39/h4-11,16,21H,12-15,17H2,1-3H3,(H,34,38)/b11-6+
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KEGG

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant MCHR1 expressed in CHO-K1 cells assessed as inhibition of MCH-induced IP3 accumulation response preincubated...


Bioorg Med Chem Lett 22: 3163-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50381518
PNG
(CHEMBL2017751)
Show SMILES Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)cc12)N1CCC(CC1)N1CC(C)(C)OC1=O
Show InChI InChI=1S/C29H30F3N5O4/c1-18-23-16-20(34-25(38)11-6-19-4-8-22(9-5-19)40-29(30,31)32)7-10-24(23)35-26(33-18)36-14-12-21(13-15-36)37-17-28(2,3)41-27(37)39/h4-11,16,21H,12-15,17H2,1-3H3,(H,34,38)/b11-6+
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 68n/an/an/an/an/an/a



Dr. Reddy's Laboratories Ltd

Curated by ChEMBL


Assay Description
Displacement of [125-I]MCH from human recombinant MCHR1 expressed in CHO-K1 cell membranes after 2 hrs by scintillation proximity assay


Bioorg Med Chem Lett 22: 3163-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.049
BindingDB Entry DOI: 10.7270/Q20Z7485
More data for this
Ligand-Target Pair