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PubMed code 15267235

Compile data set for download or QSAR
Found 13 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 1


(Homo sapiens (Human))
BDBM50150708
PNG
(4-Benzyl-N-[4-(2-diisopropylamino-ethoxy)-3-methox...)
Show SMILES COc1cc(NC(=O)c2ccc(Cc3ccccc3)cc2)ccc1OCCN(C(C)C)C(C)C
Show InChI InChI=1S/C29H36N2O3/c1-21(2)31(22(3)4)17-18-34-27-16-15-26(20-28(27)33-5)30-29(32)25-13-11-24(12-14-25)19-23-9-7-6-8-10-23/h6-16,20-22H,17-19H2,1-5H3,(H,30,32)
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79n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for Melanin-concentrating hormone 1 receptor expressed in CHO cells; Range is 40-79


J Med Chem 47: 3962-71 (2004)


Article DOI: 10.1021/jm040762v
BindingDB Entry DOI: 10.7270/Q2668CP3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50150707
PNG
(CHEMBL184291 | {[2,2-Diphenyl-5-(4-phenyl-piperidi...)
Show SMILES O=C(CNC(=O)OCc1ccccc1)NCC(CCCN1CCC(CC1)c1ccccc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C38H43N3O3/c42-36(28-39-37(43)44-29-31-14-5-1-6-15-31)40-30-38(34-18-9-3-10-19-34,35-20-11-4-12-21-35)24-13-25-41-26-22-33(23-27-41)32-16-7-2-8-17-32/h1-12,14-21,33H,13,22-30H2,(H,39,43)(H,40,42)
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n/an/a 5n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Melanin-concentrating hormone 1 receptor expressed in CHO cells


J Med Chem 47: 3962-71 (2004)


Article DOI: 10.1021/jm040762v
BindingDB Entry DOI: 10.7270/Q2668CP3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50150715
PNG
(4''-Fluoro-biphenyl-4-carboxylic acid (6-dimethyla...)
Show SMILES CN(C)CC1CCc2cc(NC(=O)c3ccc(cc3)-c3ccc(F)cc3)ccc2C1
Show InChI InChI=1S/C26H27FN2O/c1-29(2)17-18-3-4-23-16-25(14-11-22(23)15-18)28-26(30)21-7-5-19(6-8-21)20-9-12-24(27)13-10-20/h5-14,16,18H,3-4,15,17H2,1-2H3,(H,28,30)
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n/an/a 5.5n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Melanin-concentrating hormone 1 receptor expressed in CHO cells


J Med Chem 47: 3962-71 (2004)


Article DOI: 10.1021/jm040762v
BindingDB Entry DOI: 10.7270/Q2668CP3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50150709
PNG
(2-(2,4-Dichloro-phenoxy)-N-[4-methyl-2-(4-methyl-p...)
Show SMILES CN1CCN(CC1)c1cc(C)c2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc2n1
Show InChI InChI=1S/C23H24Cl2N4O2/c1-15-11-22(29-9-7-28(2)8-10-29)27-20-5-4-17(13-18(15)20)26-23(30)14-31-21-6-3-16(24)12-19(21)25/h3-6,11-13H,7-10,14H2,1-2H3,(H,26,30)
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n/an/a 10n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Melanin-concentrating hormone 1 receptor expressed in CHO cells


J Med Chem 47: 3962-71 (2004)


Article DOI: 10.1021/jm040762v
BindingDB Entry DOI: 10.7270/Q2668CP3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50150710
PNG
(2-(4-Chloro-phenoxy)-N-[2-(4-ethyl-piperazin-1-yl)...)
Show SMILES CCN1CCN(CC1)c1cc(C)c2cc(NC(=O)COc3ccc(Cl)cc3)ccc2n1
Show InChI InChI=1S/C24H27ClN4O2/c1-3-28-10-12-29(13-11-28)23-14-17(2)21-15-19(6-9-22(21)27-23)26-24(30)16-31-20-7-4-18(25)5-8-20/h4-9,14-15H,3,10-13,16H2,1-2H3,(H,26,30)
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n/an/a 30n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Melanin-concentrating hormone 1 receptor expressed in CHO cells


J Med Chem 47: 3962-71 (2004)


Article DOI: 10.1021/jm040762v
BindingDB Entry DOI: 10.7270/Q2668CP3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50150057
PNG
(2-(4-Chloro-phenoxy)-N-[4-methyl-2-(4-methyl-piper...)
Show SMILES CN1CCN(CC1)c1cc(C)c2cc(NC(=O)COc3ccc(Cl)cc3)ccc2n1
Show InChI InChI=1S/C23H25ClN4O2/c1-16-13-22(28-11-9-27(2)10-12-28)26-21-8-5-18(14-20(16)21)25-23(29)15-30-19-6-3-17(24)4-7-19/h3-8,13-14H,9-12,15H2,1-2H3,(H,25,29)
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n/an/a 50n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Melanin-concentrating hormone 1 receptor expressed in CHO cells


J Med Chem 47: 3962-71 (2004)


Article DOI: 10.1021/jm040762v
BindingDB Entry DOI: 10.7270/Q2668CP3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50150706
PNG
(2-(2,4-Dichloro-phenoxy)-N-[2-(4-ethyl-piperazin-1...)
Show SMILES CCN1CCN(CC1)c1cc(C)c2cc(NC(=O)C(C)Oc3ccc(Cl)cc3Cl)ccc2n1
Show InChI InChI=1S/C25H28Cl2N4O2/c1-4-30-9-11-31(12-10-30)24-13-16(2)20-15-19(6-7-22(20)29-24)28-25(32)17(3)33-23-8-5-18(26)14-21(23)27/h5-8,13-15,17H,4,9-12H2,1-3H3,(H,28,32)
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n/an/a 230n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Melanin-concentrating hormone 1 receptor expressed in CHO cells


J Med Chem 47: 3962-71 (2004)


Article DOI: 10.1021/jm040762v
BindingDB Entry DOI: 10.7270/Q2668CP3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50150716
PNG
(3-(4-Methoxy-phenyl)-N-[4-methyl-2-(4-methyl-piper...)
Show SMILES COc1ccc(CCC(=O)Nc2ccc3nc(cc(C)c3c2)N2CCN(C)CC2)cc1
Show InChI InChI=1S/C25H30N4O2/c1-18-16-24(29-14-12-28(2)13-15-29)27-23-10-7-20(17-22(18)23)26-25(30)11-6-19-4-8-21(31-3)9-5-19/h4-5,7-10,16-17H,6,11-15H2,1-3H3,(H,26,30)
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n/an/a 250n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Melanin-concentrating hormone 1 receptor expressed in CHO cells


J Med Chem 47: 3962-71 (2004)


Article DOI: 10.1021/jm040762v
BindingDB Entry DOI: 10.7270/Q2668CP3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50150711
PNG
(2-Benzyl-8-(2-{1-[4-(4,5-dihydro-1H-imidazol-2-yl)...)
Show SMILES O=C1N(Cc2ccccc2)CCCc2ccc(OCCC3CCN(Cc4ccc(cc4)C4=NCCN4)CC3)cc12 |t:33|
Show InChI InChI=1S/C34H40N4O2/c39-34-32-23-31(13-12-29(32)7-4-19-38(34)25-27-5-2-1-3-6-27)40-22-16-26-14-20-37(21-15-26)24-28-8-10-30(11-9-28)33-35-17-18-36-33/h1-3,5-6,8-13,23,26H,4,7,14-22,24-25H2,(H,35,36)
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n/an/a 300n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Melanin-concentrating hormone 1 receptor expressed in CHO cells


J Med Chem 47: 3962-71 (2004)


Article DOI: 10.1021/jm040762v
BindingDB Entry DOI: 10.7270/Q2668CP3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50150713
PNG
(CHEMBL186077 | N-[2-(4-Ethyl-piperazin-1-yl)-4-met...)
Show SMILES CCN1CCN(CC1)c1cc(C)c2cc(NC(=O)CCc3ccc(OC)cc3)ccc2n1
Show InChI InChI=1S/C26H32N4O2/c1-4-29-13-15-30(16-14-29)25-17-19(2)23-18-21(8-11-24(23)28-25)27-26(31)12-7-20-5-9-22(32-3)10-6-20/h5-6,8-11,17-18H,4,7,12-16H2,1-3H3,(H,27,31)
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n/an/a 730n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Melanin-concentrating hormone 1 receptor expressed in CHO cells


J Med Chem 47: 3962-71 (2004)


Article DOI: 10.1021/jm040762v
BindingDB Entry DOI: 10.7270/Q2668CP3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50150712
PNG
(2-(2,4-Dichloro-phenoxy)-N-[4-methyl-2-(4-methyl-p...)
Show SMILES CC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2nc(cc(C)c2c1)N1CCN(C)CC1
Show InChI InChI=1S/C24H26Cl2N4O2/c1-15-12-23(30-10-8-29(3)9-11-30)28-21-6-5-18(14-19(15)21)27-24(31)16(2)32-22-7-4-17(25)13-20(22)26/h4-7,12-14,16H,8-11H2,1-3H3,(H,27,31)
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n/an/a 790n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Melanin-concentrating hormone 1 receptor expressed in CHO cells


J Med Chem 47: 3962-71 (2004)


Article DOI: 10.1021/jm040762v
BindingDB Entry DOI: 10.7270/Q2668CP3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50150717
PNG
(CHEMBL187430 | N-[2-(4-Ethyl-piperazin-1-yl)-4-met...)
Show SMILES CCN1CCN(CC1)c1cc(C)c2cc(NC(=O)COc3cccc(C)c3)ccc2n1
Show InChI InChI=1S/C25H30N4O2/c1-4-28-10-12-29(13-11-28)24-15-19(3)22-16-20(8-9-23(22)27-24)26-25(30)17-31-21-7-5-6-18(2)14-21/h5-9,14-16H,4,10-13,17H2,1-3H3,(H,26,30)
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n/an/a 6.60E+3n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Melanin-concentrating hormone 1 receptor expressed in CHO cells


J Med Chem 47: 3962-71 (2004)


Article DOI: 10.1021/jm040762v
BindingDB Entry DOI: 10.7270/Q2668CP3
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50150704
PNG
(CHEMBL186842 | N-[2-(4-Ethyl-piperazin-1-yl)-4-met...)
Show SMILES CCN1CCN(CC1)c1cc(C)c2cc(NC(=O)CSc3ccncc3)ccc2n1
Show InChI InChI=1S/C23H27N5OS/c1-3-27-10-12-28(13-11-27)22-14-17(2)20-15-18(4-5-21(20)26-22)25-23(29)16-30-19-6-8-24-9-7-19/h4-9,14-15H,3,10-13,16H2,1-2H3,(H,25,29)
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n/an/a 8.20E+3n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Melanin-concentrating hormone 1 receptor expressed in CHO cells


J Med Chem 47: 3962-71 (2004)


Article DOI: 10.1021/jm040762v
BindingDB Entry DOI: 10.7270/Q2668CP3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%