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PubMed code 18198821

Compile data set for download or QSAR
Found 8 hits of Enzyme Inhibition Constant Data   
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


(Homo sapiens (human))
BDBM50232469
PNG
(CHEMBL252145 | N,N-bis(tosylmethyl)hexan-1-amine)
Show SMILES CCCCCCN(CS(=O)(=O)c1ccc(C)cc1)CS(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C22H31NO4S2/c1-4-5-6-7-16-23(17-28(24,25)21-12-8-19(2)9-13-21)18-29(26,27)22-14-10-20(3)11-15-22/h8-15H,4-7,16-18H2,1-3H3
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1.70E+3n/an/an/an/an/an/an/an/a



MolSoft LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cell membranes


J Med Chem 51: 581-8 (2008)


Article DOI: 10.1021/jm070759m
BindingDB Entry DOI: 10.7270/Q2H994Z0
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50232467
PNG
(CHEMBL399303 | phenyl-N,N-bis(tosylmethyl)methanam...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)CN(Cc1ccccc1)CS(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C23H25NO4S2/c1-19-8-12-22(13-9-19)29(25,26)17-24(16-21-6-4-3-5-7-21)18-30(27,28)23-14-10-20(2)11-15-23/h3-15H,16-18H2,1-2H3
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7.50E+3n/an/an/an/an/an/an/an/a



MolSoft LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cell membranes


J Med Chem 51: 581-8 (2008)


Article DOI: 10.1021/jm070759m
BindingDB Entry DOI: 10.7270/Q2H994Z0
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50232470
PNG
(2-phenyl-N,N-bis(o-tolylthiomethyl)ethanamine | CH...)
Show SMILES Cc1ccccc1SCN(CCc1ccccc1)CSc1ccccc1C
Show InChI InChI=1S/C24H27NS2/c1-20-10-6-8-14-23(20)26-18-25(17-16-22-12-4-3-5-13-22)19-27-24-15-9-7-11-21(24)2/h3-15H,16-19H2,1-2H3
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7.50E+3n/an/an/an/an/an/an/an/a



MolSoft LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cell membranes


J Med Chem 51: 581-8 (2008)


Article DOI: 10.1021/jm070759m
BindingDB Entry DOI: 10.7270/Q2H994Z0
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50232468
PNG
(6-(((3-chlorobenzyl)(methyl)amino)methyl)-N2-o-tol...)
Show SMILES CN(Cc1cccc(Cl)c1)Cc1nc(N)nc(Nc2ccccc2C)n1
Show InChI InChI=1S/C19H21ClN6/c1-13-6-3-4-9-16(13)22-19-24-17(23-18(21)25-19)12-26(2)11-14-7-5-8-15(20)10-14/h3-10H,11-12H2,1-2H3,(H3,21,22,23,24,25)
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7.80E+3n/an/an/an/an/an/an/an/a



MolSoft LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cell membranes


J Med Chem 51: 581-8 (2008)


Article DOI: 10.1021/jm070759m
BindingDB Entry DOI: 10.7270/Q2H994Z0
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50232466
PNG
(2-(dimethylamino)ethyl 4-(5-(4-methoxybenzylidene)...)
Show SMILES COc1ccc(\C=C2\SC(=S)N(CCCC(=O)OCCN(C)C)C2=O)cc1
Show InChI InChI=1S/C19H24N2O4S2/c1-20(2)11-12-25-17(22)5-4-10-21-18(23)16(27-19(21)26)13-14-6-8-15(24-3)9-7-14/h6-9,13H,4-5,10-12H2,1-3H3/b16-13+
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8.10E+3n/an/an/an/an/an/an/an/a



MolSoft LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cell membranes


J Med Chem 51: 581-8 (2008)


Article DOI: 10.1021/jm070759m
BindingDB Entry DOI: 10.7270/Q2H994Z0
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50232465
PNG
(4-methoxy-benzoic acid 2-diethylaminomethyl-4-(1,1...)
Show SMILES CCN(CC)Cc1cc(ccc1OC(=O)c1ccc(OC)cc1)N=C1NS(=O)(=O)c2ccccc12
Show InChI InChI=1S/C26H27N3O5S/c1-4-29(5-2)17-19-16-20(27-25-22-8-6-7-9-24(22)35(31,32)28-25)12-15-23(19)34-26(30)18-10-13-21(33-3)14-11-18/h6-16H,4-5,17H2,1-3H3,(H,27,28)
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1.13E+4n/an/an/an/an/an/an/an/a



MolSoft LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cell membranes


J Med Chem 51: 581-8 (2008)


Article DOI: 10.1021/jm070759m
BindingDB Entry DOI: 10.7270/Q2H994Z0
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50232464
PNG
(CHEMBL251947 | {3-[2-(4-bromo-phenyl)-benzo[d]imid...)
Show SMILES CCN(CC)CCCn1c(cn2c1nc1ccccc21)-c1ccc(Br)cc1
Show InChI InChI=1S/C22H25BrN4/c1-3-25(4-2)14-7-15-26-21(17-10-12-18(23)13-11-17)16-27-20-9-6-5-8-19(20)24-22(26)27/h5-6,8-13,16H,3-4,7,14-15H2,1-2H3
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1.19E+4n/an/an/an/an/an/an/an/a



MolSoft LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cell membranes


J Med Chem 51: 581-8 (2008)


Article DOI: 10.1021/jm070759m
BindingDB Entry DOI: 10.7270/Q2H994Z0
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50232471
PNG
(CHEMBL251948 | N-(3-(benzyl(isopropyl)amino)propyl...)
Show SMILES CC(C)N(CCCNC(=O)c1cc2sccc2n1C)Cc1ccccc1
Show InChI InChI=1S/C21H27N3OS/c1-16(2)24(15-17-8-5-4-6-9-17)12-7-11-22-21(25)19-14-20-18(23(19)3)10-13-26-20/h4-6,8-10,13-14,16H,7,11-12,15H2,1-3H3,(H,22,25)
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2.09E+4n/an/an/an/an/an/an/an/a



MolSoft LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cell membranes


J Med Chem 51: 581-8 (2008)


Article DOI: 10.1021/jm070759m
BindingDB Entry DOI: 10.7270/Q2H994Z0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%