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BDBM50172416 CHEMBL427540::N-[2-(2,5-Diaza-bicyclo[2.2.1]hept-2-yl)-4-methyl-quinolin-6-yl]-2-(4-trifluoromethoxy-phenoxy)-acetamide

SMILES: Cc1cc(nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12)N1CC2CC1CN2

InChI Key: InChIKey=QJVKSHKJQIYIKU-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50172416   
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))
BDBM50172416
PNG
(CHEMBL427540 | N-[2-(2,5-Diaza-bicyclo[2.2.1]hept-...)
Show SMILES Cc1cc(nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12)N1CC2CC1CN2
Show InChI InChI=1S/C24H23F3N4O3/c1-14-8-22(31-12-16-9-17(31)11-28-16)30-21-7-2-15(10-20(14)21)29-23(32)13-33-18-3-5-19(6-4-18)34-24(25,26)27/h2-8,10,16-17,28H,9,11-13H2,1H3,(H,29,32)
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PubMed
n/an/a 1.90n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Displacement of 15 pM [125I]-MCH from human MCH1R expressed in CHO-K1 in whole-cell binding assay


J Med Chem 48: 5684-97 (2005)


Article DOI: 10.1021/jm050103y
BindingDB Entry DOI: 10.7270/Q2H41QZ8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50172416
PNG
(CHEMBL427540 | N-[2-(2,5-Diaza-bicyclo[2.2.1]hept-...)
Show SMILES Cc1cc(nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12)N1CC2CC1CN2
Show InChI InChI=1S/C24H23F3N4O3/c1-14-8-22(31-12-16-9-17(31)11-28-16)30-21-7-2-15(10-20(14)21)29-23(32)13-33-18-3-5-19(6-4-18)34-24(25,26)27/h2-8,10,16-17,28H,9,11-13H2,1H3,(H,29,32)
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Article
PubMed
n/an/a 9.70n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Displacement of 150p M [125I]-MCH from human MCH1R expressed in CHO-K1 cells


J Med Chem 48: 5684-97 (2005)


Article DOI: 10.1021/jm050103y
BindingDB Entry DOI: 10.7270/Q2H41QZ8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50172416
PNG
(CHEMBL427540 | N-[2-(2,5-Diaza-bicyclo[2.2.1]hept-...)
Show SMILES Cc1cc(nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12)N1CC2CC1CN2
Show InChI InChI=1S/C24H23F3N4O3/c1-14-8-22(31-12-16-9-17(31)11-28-16)30-21-7-2-15(10-20(14)21)29-23(32)13-33-18-3-5-19(6-4-18)34-24(25,26)27/h2-8,10,16-17,28H,9,11-13H2,1H3,(H,29,32)
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n/an/a 16n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inhibitory concentration against 10 nM MCH-induced IP3 accumulation in CHO-K1 cells expressing human MCH1R after incubation with [3H]-myo-inositol


J Med Chem 48: 5684-97 (2005)


Article DOI: 10.1021/jm050103y
BindingDB Entry DOI: 10.7270/Q2H41QZ8
More data for this
Ligand-Target Pair
GPR145


(Homo sapiens (Human))
BDBM50172416
PNG
(CHEMBL427540 | N-[2-(2,5-Diaza-bicyclo[2.2.1]hept-...)
Show SMILES Cc1cc(nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12)N1CC2CC1CN2
Show InChI InChI=1S/C24H23F3N4O3/c1-14-8-22(31-12-16-9-17(31)11-28-16)30-21-7-2-15(10-20(14)21)29-23(32)13-33-18-3-5-19(6-4-18)34-24(25,26)27/h2-8,10,16-17,28H,9,11-13H2,1H3,(H,29,32)
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PubMed
n/an/a 6.80n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Displacement of 15 pM [125I]-MCH from human MCH2R expressed in CHO-K1 in whole-cell binding assay


J Med Chem 48: 5684-97 (2005)


Article DOI: 10.1021/jm050103y
BindingDB Entry DOI: 10.7270/Q2H41QZ8
More data for this
Ligand-Target Pair