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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Melanin-concentrating hormone receptor 1' and Ligand = 'BDBM50172434'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50172434
PNG
(Acetic acid 2-({6-[2-(3,4-dichloro-phenoxy)-acetyl...)
Show SMILES CN(CCOC(C)=O)c1cc(C)c2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc2n1
Show InChI InChI=1S/C23H23Cl2N3O4/c1-14-10-22(28(3)8-9-31-15(2)29)27-20-6-5-17(12-18(14)20)26-23(30)13-32-21-7-4-16(24)11-19(21)25/h4-7,10-12H,8-9,13H2,1-3H3,(H,26,30)
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n/an/a 2.30n/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 1


(Homo sapiens (Human))
BDBM50172434
PNG
(Acetic acid 2-({6-[2-(3,4-dichloro-phenoxy)-acetyl...)
Show SMILES CN(CCOC(C)=O)c1cc(C)c2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc2n1
Show InChI InChI=1S/C23H23Cl2N3O4/c1-14-10-22(28(3)8-9-31-15(2)29)27-20-6-5-17(12-18(14)20)26-23(30)13-32-21-7-4-16(24)11-19(21)25/h4-7,10-12H,8-9,13H2,1-3H3,(H,26,30)
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n/an/a 14n/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
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50172434
PNG
(Acetic acid 2-({6-[2-(3,4-dichloro-phenoxy)-acetyl...)
Show SMILES CN(CCOC(C)=O)c1cc(C)c2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc2n1
Show InChI InChI=1S/C23H23Cl2N3O4/c1-14-10-22(28(3)8-9-31-15(2)29)27-20-6-5-17(12-18(14)20)26-23(30)13-32-21-7-4-16(24)11-19(21)25/h4-7,10-12H,8-9,13H2,1-3H3,(H,26,30)
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n/an/a 29n/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