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PubMed code 19250717

Compile data set for download or QSAR
Found 35 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))
BDBM50293479
PNG
((R)-N-(1-(4-iodophenyl)propyl)-4-((1-(quinolin-7-y...)
Show SMILES CC[C@@H](NC(=O)c1ccc(CC2CCN(Cc3ccc4cccnc4c3)CC2)cc1)c1ccc(I)cc1
Show InChI InChI=1S/C32H34IN3O/c1-2-30(27-11-13-29(33)14-12-27)35-32(37)28-9-5-23(6-10-28)20-24-15-18-36(19-16-24)22-25-7-8-26-4-3-17-34-31(26)21-25/h3-14,17,21,24,30H,2,15-16,18-20,22H2,1H3,(H,35,37)/t30-/m1/s1
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5n/an/an/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Binding affinity to MCH1 receptor


Eur J Med Chem 44: 2583-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.031
BindingDB Entry DOI: 10.7270/Q2TH8MRK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50293475
PNG
((R)-4-((1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidi...)
Show SMILES CC[C@@H](NC(=O)c1ccc(CC2CCN(Cc3ccc4OCOc4c3)CC2)cc1)c1ccc(I)cc1
Show InChI InChI=1S/C30H33IN2O3/c1-2-27(24-8-10-26(31)11-9-24)32-30(34)25-6-3-21(4-7-25)17-22-13-15-33(16-14-22)19-23-5-12-28-29(18-23)36-20-35-28/h3-12,18,22,27H,2,13-17,19-20H2,1H3,(H,32,34)/t27-/m1/s1
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20n/an/an/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Binding affinity to MCH1 receptor


Eur J Med Chem 44: 2583-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.031
BindingDB Entry DOI: 10.7270/Q2TH8MRK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50293481
PNG
((R)-N-(1-(4-iodophenyl)propyl)-4-((1-(quinazolin-7...)
Show SMILES CC[C@@H](NC(=O)c1ccc(CC2CCN(Cc3ccc4cncnc4c3)CC2)cc1)c1ccc(I)cc1
Show InChI InChI=1S/C31H33IN4O/c1-2-29(25-9-11-28(32)12-10-25)35-31(37)26-6-3-22(4-7-26)17-23-13-15-36(16-14-23)20-24-5-8-27-19-33-21-34-30(27)18-24/h3-12,18-19,21,23,29H,2,13-17,20H2,1H3,(H,35,37)/t29-/m1/s1
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30n/an/an/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Binding affinity to MCH1 receptor


Eur J Med Chem 44: 2583-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.031
BindingDB Entry DOI: 10.7270/Q2TH8MRK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50293486
PNG
((R)-N-(1-(4-iodophenyl)propyl)-4-((1-(quinoxalin-6...)
Show SMILES CC[C@@H](NC(=O)c1ccc(CC2CCN(Cc3ccc4nccnc4c3)CC2)cc1)c1ccc(I)cc1
Show InChI InChI=1S/C31H33IN4O/c1-2-28(25-8-10-27(32)11-9-25)35-31(37)26-6-3-22(4-7-26)19-23-13-17-36(18-14-23)21-24-5-12-29-30(20-24)34-16-15-33-29/h3-12,15-16,20,23,28H,2,13-14,17-19,21H2,1H3,(H,35,37)/t28-/m1/s1
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40n/an/an/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Binding affinity to MCH1 receptor


Eur J Med Chem 44: 2583-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.031
BindingDB Entry DOI: 10.7270/Q2TH8MRK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50293474
PNG
((R)-4-((1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidi...)
Show SMILES C[C@@H](NC(=O)c1ccc(CC2CCN(Cc3ccc4OCOc4c3)CC2)cc1)c1ccc(I)cc1
Show InChI InChI=1S/C29H31IN2O3/c1-20(24-7-9-26(30)10-8-24)31-29(33)25-5-2-21(3-6-25)16-22-12-14-32(15-13-22)18-23-4-11-27-28(17-23)35-19-34-27/h2-11,17,20,22H,12-16,18-19H2,1H3,(H,31,33)/t20-/m1/s1
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51n/an/an/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Binding affinity to MCH1 receptor


Eur J Med Chem 44: 2583-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.031
BindingDB Entry DOI: 10.7270/Q2TH8MRK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50293456
PNG
((R)-4-((1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidi...)
Show SMILES C[C@@H](NC(=O)c1ccc(CC2CCN(Cc3ccc4OCOc4c3)CC2)cc1)c1ccc(Br)cc1
Show InChI InChI=1S/C29H31BrN2O3/c1-20(24-7-9-26(30)10-8-24)31-29(33)25-5-2-21(3-6-25)16-22-12-14-32(15-13-22)18-23-4-11-27-28(17-23)35-19-34-27/h2-11,17,20,22H,12-16,18-19H2,1H3,(H,31,33)/t20-/m1/s1
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101n/an/an/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Binding affinity to MCH1 receptor


Eur J Med Chem 44: 2583-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.031
BindingDB Entry DOI: 10.7270/Q2TH8MRK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50293483
PNG
((R)-N-(1-(4-bromophenyl)ethyl)-4-((1-(2,4-dimethyl...)
Show SMILES C[C@@H](NC(=O)c1ccc(C=C2CCN(Cc3ccc(C)cc3C)CC2)cc1)c1ccc(Br)cc1
Show InChI InChI=1S/C30H33BrN2O/c1-21-4-7-28(22(2)18-21)20-33-16-14-25(15-17-33)19-24-5-8-27(9-6-24)30(34)32-23(3)26-10-12-29(31)13-11-26/h4-13,18-19,23H,14-17,20H2,1-3H3,(H,32,34)/t23-/m1/s1
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105n/an/an/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Binding affinity to MCH1 receptor


Eur J Med Chem 44: 2583-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.031
BindingDB Entry DOI: 10.7270/Q2TH8MRK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50293473
PNG
((R)-4-((1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidi...)
Show SMILES C[C@@H](NC(=O)c1ccc(CC2CCN(Cc3ccc4OCOc4c3)CC2)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H31ClN2O3/c1-20(24-7-9-26(30)10-8-24)31-29(33)25-5-2-21(3-6-25)16-22-12-14-32(15-13-22)18-23-4-11-27-28(17-23)35-19-34-27/h2-11,17,20,22H,12-16,18-19H2,1H3,(H,31,33)/t20-/m1/s1
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108n/an/an/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Binding affinity to MCH1 receptor


Eur J Med Chem 44: 2583-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.031
BindingDB Entry DOI: 10.7270/Q2TH8MRK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50293477
PNG
(1-(4-((1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidin...)
Show SMILES O=C(Cc1ccc2OCCc2c1)c1ccc(CC2CCN(Cc3ccc4OCOc4c3)CC2)cc1
Show InChI InChI=1S/C30H31NO4/c32-27(17-23-3-7-28-26(16-23)11-14-33-28)25-5-1-21(2-6-25)15-22-9-12-31(13-10-22)19-24-4-8-29-30(18-24)35-20-34-29/h1-8,16,18,22H,9-15,17,19-20H2
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133n/an/an/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Binding affinity to MCH1 receptor


Eur J Med Chem 44: 2583-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.031
BindingDB Entry DOI: 10.7270/Q2TH8MRK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50293482
PNG
((R)-N-(1-(4-bromophenyl)ethyl)-4-((1-(4-methoxyben...)
Show SMILES COc1ccc(CN2CCC(CC2)=Cc2ccc(cc2)C(=O)N[C@H](C)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C29H31BrN2O2/c1-21(25-9-11-27(30)12-10-25)31-29(33)26-7-3-22(4-8-26)19-23-15-17-32(18-16-23)20-24-5-13-28(34-2)14-6-24/h3-14,19,21H,15-18,20H2,1-2H3,(H,31,33)/t21-/m1/s1
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149n/an/an/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Binding affinity to MCH1 receptor


Eur J Med Chem 44: 2583-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.031
BindingDB Entry DOI: 10.7270/Q2TH8MRK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50293476
PNG
((R)-4-((1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidi...)
Show SMILES CCC[C@@H](NC(=O)c1ccc(CC2CCN(Cc3ccc4OCOc4c3)CC2)cc1)c1ccc(I)cc1
Show InChI InChI=1S/C31H35IN2O3/c1-2-3-28(25-9-11-27(32)12-10-25)33-31(35)26-7-4-22(5-8-26)18-23-14-16-34(17-15-23)20-24-6-13-29-30(19-24)37-21-36-29/h4-13,19,23,28H,2-3,14-18,20-21H2,1H3,(H,33,35)/t28-/m1/s1
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191n/an/an/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Binding affinity to MCH1 receptor


Eur J Med Chem 44: 2583-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.031
BindingDB Entry DOI: 10.7270/Q2TH8MRK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50293471
PNG
((R)-4-((1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidi...)
Show SMILES COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(CC2CCN(Cc3ccc4OCOc4c3)CC2)cc1
Show InChI InChI=1S/C30H34N2O4/c1-21(26-4-3-5-27(18-26)34-2)31-30(33)25-9-6-22(7-10-25)16-23-12-14-32(15-13-23)19-24-8-11-28-29(17-24)36-20-35-28/h3-11,17-18,21,23H,12-16,19-20H2,1-2H3,(H,31,33)/t21-/m1/s1
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266n/an/an/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Binding affinity to MCH1 receptor


Eur J Med Chem 44: 2583-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.031
BindingDB Entry DOI: 10.7270/Q2TH8MRK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50293480
PNG
((R)-N-(1-(4-iodophenyl)propyl)-4-((1-(quinolin-2-y...)
Show SMILES CC[C@@H](NC(=O)c1ccc(CC2CCN(Cc3ccc4ccccc4n3)CC2)cc1)c1ccc(I)cc1
Show InChI InChI=1S/C32H34IN3O/c1-2-30(26-11-14-28(33)15-12-26)35-32(37)27-9-7-23(8-10-27)21-24-17-19-36(20-18-24)22-29-16-13-25-5-3-4-6-31(25)34-29/h3-16,24,30H,2,17-22H2,1H3,(H,35,37)/t30-/m1/s1
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312n/an/an/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Binding affinity to MCH1 receptor


Eur J Med Chem 44: 2583-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.031
BindingDB Entry DOI: 10.7270/Q2TH8MRK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50293484
PNG
((R)-4-((1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidi...)
Show SMILES COc1ccc(cc1)[C@@H](C)NC(=O)c1ccc(CC2CCN(Cc3ccc4OCOc4c3)CC2)cc1
Show InChI InChI=1S/C30H34N2O4/c1-21(25-8-10-27(34-2)11-9-25)31-30(33)26-6-3-22(4-7-26)17-23-13-15-32(16-14-23)19-24-5-12-28-29(18-24)36-20-35-28/h3-12,18,21,23H,13-17,19-20H2,1-2H3,(H,31,33)/t21-/m1/s1
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776n/an/an/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Binding affinity to MCH1 receptor


Eur J Med Chem 44: 2583-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.031
BindingDB Entry DOI: 10.7270/Q2TH8MRK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50293478
PNG
((R)-4-((1-((2,2-difluorobenzo[d][1,3]dioxol-5-yl)m...)
Show SMILES CC[C@@H](NC(=O)c1ccc(CC2CCN(Cc3ccc4OC(F)(F)Oc4c3)CC2)cc1)c1ccc(I)cc1
Show InChI InChI=1S/C30H31F2IN2O3/c1-2-26(23-8-10-25(33)11-9-23)34-29(36)24-6-3-20(4-7-24)17-21-13-15-35(16-14-21)19-22-5-12-27-28(18-22)38-30(31,32)37-27/h3-12,18,21,26H,2,13-17,19H2,1H3,(H,34,36)/t26-/m1/s1
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795n/an/an/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Binding affinity to MCH1 receptor


Eur J Med Chem 44: 2583-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.031
BindingDB Entry DOI: 10.7270/Q2TH8MRK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50293485
PNG
((R)-4-((1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidi...)
Show SMILES C[C@@H](NC(=O)c1ccc(CC2CCN(Cc3ccc4OCOc4c3)CC2)cc1)c1ccc(C)cc1
Show InChI InChI=1S/C30H34N2O3/c1-21-3-8-26(9-4-21)22(2)31-30(33)27-10-5-23(6-11-27)17-24-13-15-32(16-14-24)19-25-7-12-28-29(18-25)35-20-34-28/h3-12,18,22,24H,13-17,19-20H2,1-2H3,(H,31,33)/t22-/m1/s1
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1.08E+3n/an/an/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Binding affinity to MCH1 receptor


Eur J Med Chem 44: 2583-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.031
BindingDB Entry DOI: 10.7270/Q2TH8MRK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50293463
PNG
((R)-N-(1-(4-bromophenyl)ethyl)-4-((1-((4-methylnap...)
Show SMILES C[C@@H](NC(=O)c1ccc(C=C2CCN(Cc3ccc(C)c4ccccc34)CC2)cc1)c1ccc(Br)cc1
Show InChI InChI=1S/C33H33BrN2O/c1-23-7-10-29(32-6-4-3-5-31(23)32)22-36-19-17-26(18-20-36)21-25-8-11-28(12-9-25)33(37)35-24(2)27-13-15-30(34)16-14-27/h3-16,21,24H,17-20,22H2,1-2H3,(H,35,37)/t24-/m1/s1
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1.41E+3n/an/an/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Binding affinity to MCH1 receptor


Eur J Med Chem 44: 2583-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.031
BindingDB Entry DOI: 10.7270/Q2TH8MRK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50293455
PNG
(4-((1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-...)
Show SMILES CCC(NC(=O)c1ccc(CC2CCN(Cc3ccc4OCOc4c3)CC2)cc1)c1ccccc1
Show InChI InChI=1S/C30H34N2O3/c1-2-27(25-6-4-3-5-7-25)31-30(33)26-11-8-22(9-12-26)18-23-14-16-32(17-15-23)20-24-10-13-28-29(19-24)35-21-34-28/h3-13,19,23,27H,2,14-18,20-21H2,1H3,(H,31,33)
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1.83E+3n/an/an/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Binding affinity to MCH1 receptor


Eur J Med Chem 44: 2583-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.031
BindingDB Entry DOI: 10.7270/Q2TH8MRK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50293467
PNG
((R)-4-((4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazi...)
Show SMILES C[C@@H](NC(=O)c1ccc(CN2CCN(Cc3ccc4OCOc4c3)CC2)cc1)c1ccc(Br)cc1
Show InChI InChI=1S/C28H30BrN3O3/c1-20(23-7-9-25(29)10-8-23)30-28(33)24-5-2-21(3-6-24)17-31-12-14-32(15-13-31)18-22-4-11-26-27(16-22)35-19-34-26/h2-11,16,20H,12-15,17-19H2,1H3,(H,30,33)/t20-/m1/s1
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1.95E+3n/an/an/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Binding affinity to MCH1 receptor


Eur J Med Chem 44: 2583-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.031
BindingDB Entry DOI: 10.7270/Q2TH8MRK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50293470
PNG
((R)-4-((1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidi...)
Show SMILES COc1ccccc1[C@@H](C)NC(=O)c1ccc(CC2CCN(Cc3ccc4OCOc4c3)CC2)cc1
Show InChI InChI=1S/C30H34N2O4/c1-21(26-5-3-4-6-27(26)34-2)31-30(33)25-10-7-22(8-11-25)17-23-13-15-32(16-14-23)19-24-9-12-28-29(18-24)36-20-35-28/h3-12,18,21,23H,13-17,19-20H2,1-2H3,(H,31,33)/t21-/m1/s1
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2.06E+3n/an/an/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Binding affinity to MCH1 receptor


Eur J Med Chem 44: 2583-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.031
BindingDB Entry DOI: 10.7270/Q2TH8MRK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50293468
PNG
(4-(1-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-...)
Show SMILES C[C@H](NC(=O)c1ccc(cc1)C(C)N1CCN(Cc2ccc3OCOc3c2)CC1)c1ccc(Br)cc1
Show InChI InChI=1S/C29H32BrN3O3/c1-20(23-8-10-26(30)11-9-23)31-29(34)25-6-4-24(5-7-25)21(2)33-15-13-32(14-16-33)18-22-3-12-27-28(17-22)36-19-35-27/h3-12,17,20-21H,13-16,18-19H2,1-2H3,(H,31,34)/t20-,21?/m0/s1
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2.33E+3n/an/an/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Binding affinity to MCH1 receptor


Eur J Med Chem 44: 2583-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.031
BindingDB Entry DOI: 10.7270/Q2TH8MRK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50293461
PNG
((R)-4-((1-benzylpiperidin-4-ylidene)methyl)-N-(1-(...)
Show SMILES C[C@@H](NC(=O)c1ccc(C=C2CCN(Cc3ccccc3)CC2)cc1)c1ccc(Br)cc1
Show InChI InChI=1S/C28H29BrN2O/c1-21(25-11-13-27(29)14-12-25)30-28(32)26-9-7-22(8-10-26)19-23-15-17-31(18-16-23)20-24-5-3-2-4-6-24/h2-14,19,21H,15-18,20H2,1H3,(H,30,32)/t21-/m1/s1
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2.58E+3n/an/an/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Binding affinity to MCH1 receptor


Eur J Med Chem 44: 2583-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.031
BindingDB Entry DOI: 10.7270/Q2TH8MRK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50293457
PNG
((R)-4-((1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidi...)
Show SMILES C[C@@H](NC(=O)c1ccc(CC2CCN(Cc3ccc4OCOc4c3)CC2)cc1)c1ccccc1
Show InChI InChI=1S/C29H32N2O3/c1-21(25-5-3-2-4-6-25)30-29(32)26-10-7-22(8-11-26)17-23-13-15-31(16-14-23)19-24-9-12-27-28(18-24)34-20-33-27/h2-12,18,21,23H,13-17,19-20H2,1H3,(H,30,32)/t21-/m1/s1
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3.47E+3n/an/an/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Binding affinity to MCH1 receptor


Eur J Med Chem 44: 2583-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.031
BindingDB Entry DOI: 10.7270/Q2TH8MRK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50293459
PNG
((R)-4-((1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidi...)
Show SMILES C[C@@H](NC(=O)c1ccc(CC2CCN(Cc3ccc4OCOc4c3)CC2)cc1)C1CCCCC1
Show InChI InChI=1S/C29H38N2O3/c1-21(25-5-3-2-4-6-25)30-29(32)26-10-7-22(8-11-26)17-23-13-15-31(16-14-23)19-24-9-12-27-28(18-24)34-20-33-27/h7-12,18,21,23,25H,2-6,13-17,19-20H2,1H3,(H,30,32)/t21-/m1/s1
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3.57E+3n/an/an/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Binding affinity to MCH1 receptor


Eur J Med Chem 44: 2583-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.031
BindingDB Entry DOI: 10.7270/Q2TH8MRK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50293457
PNG
((R)-4-((1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidi...)
Show SMILES C[C@@H](NC(=O)c1ccc(CC2CCN(Cc3ccc4OCOc4c3)CC2)cc1)c1ccccc1
Show InChI InChI=1S/C29H32N2O3/c1-21(25-5-3-2-4-6-25)30-29(32)26-10-7-22(8-11-26)17-23-13-15-31(16-14-23)19-24-9-12-27-28(18-24)34-20-33-27/h2-12,18,21,23H,13-17,19-20H2,1H3,(H,30,32)/t21-/m1/s1
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4.14E+3n/an/an/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Binding affinity to MCH1 receptor


Eur J Med Chem 44: 2583-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.031
BindingDB Entry DOI: 10.7270/Q2TH8MRK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50293469
PNG
(4-((4-(benzo[d][1,3]dioxol-5-ylmethyl)-2-methylpip...)
Show SMILES C[C@H](NC(=O)c1ccc(CN2CCN(Cc3ccc4OCOc4c3)CC2C)cc1)c1ccc(Br)cc1
Show InChI InChI=1S/C29H32BrN3O3/c1-20-16-32(17-23-5-12-27-28(15-23)36-19-35-27)13-14-33(20)18-22-3-6-25(7-4-22)29(34)31-21(2)24-8-10-26(30)11-9-24/h3-12,15,20-21H,13-14,16-19H2,1-2H3,(H,31,34)/t20?,21-/m0/s1
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4.56E+3n/an/an/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Binding affinity to MCH1 receptor


Eur J Med Chem 44: 2583-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.031
BindingDB Entry DOI: 10.7270/Q2TH8MRK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50293472
PNG
((R)-4-((1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidi...)
Show SMILES O=C(N[C@@H]1CCc2ccccc12)c1ccc(CC2CCN(Cc3ccc4OCOc4c3)CC2)cc1
Show InChI InChI=1S/C30H32N2O3/c33-30(31-27-11-10-24-3-1-2-4-26(24)27)25-8-5-21(6-9-25)17-22-13-15-32(16-14-22)19-23-7-12-28-29(18-23)35-20-34-28/h1-9,12,18,22,27H,10-11,13-17,19-20H2,(H,31,33)/t27-/m1/s1
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4.68E+3n/an/an/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Binding affinity to MCH1 receptor


Eur J Med Chem 44: 2583-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.031
BindingDB Entry DOI: 10.7270/Q2TH8MRK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50293462
PNG
((R)-4-((1-(biphenyl-4-ylmethyl)piperidin-4-ylidene...)
Show SMILES C[C@@H](NC(=O)c1ccc(C=C2CCN(Cc3ccc(cc3)-c3ccccc3)CC2)cc1)c1ccc(Br)cc1
Show InChI InChI=1S/C34H33BrN2O/c1-25(29-15-17-33(35)18-16-29)36-34(38)32-13-7-26(8-14-32)23-27-19-21-37(22-20-27)24-28-9-11-31(12-10-28)30-5-3-2-4-6-30/h2-18,23,25H,19-22,24H2,1H3,(H,36,38)/t25-/m1/s1
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5.11E+3n/an/an/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Binding affinity to MCH1 receptor


Eur J Med Chem 44: 2583-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.031
BindingDB Entry DOI: 10.7270/Q2TH8MRK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50293453
PNG
(4-((1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-...)
Show SMILES O=C(NCc1ccccc1)c1ccc(CC2CCN(Cc3ccc4OCOc4c3)CC2)cc1
Show InChI InChI=1S/C28H30N2O3/c31-28(29-18-23-4-2-1-3-5-23)25-9-6-21(7-10-25)16-22-12-14-30(15-13-22)19-24-8-11-26-27(17-24)33-20-32-26/h1-11,17,22H,12-16,18-20H2,(H,29,31)
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5.64E+3n/an/an/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Binding affinity to MCH1 receptor


Eur J Med Chem 44: 2583-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.031
BindingDB Entry DOI: 10.7270/Q2TH8MRK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50293460
PNG
(4-((1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-...)
Show SMILES Cc1ccccc1CNC(=O)c1ccc(CC2CCN(Cc3ccc4OCOc4c3)CC2)cc1
Show InChI InChI=1S/C29H32N2O3/c1-21-4-2-3-5-26(21)18-30-29(32)25-9-6-22(7-10-25)16-23-12-14-31(15-13-23)19-24-8-11-27-28(17-24)34-20-33-27/h2-11,17,23H,12-16,18-20H2,1H3,(H,30,32)
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9.33E+3n/an/an/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Binding affinity to MCH1 receptor


Eur J Med Chem 44: 2583-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.031
BindingDB Entry DOI: 10.7270/Q2TH8MRK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50293458
PNG
(4-((1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-...)
Show SMILES CC(CNC(=O)c1ccc(CC2CCN(Cc3ccc4OCOc4c3)CC2)cc1)c1ccccc1
Show InChI InChI=1S/C30H34N2O3/c1-22(26-5-3-2-4-6-26)19-31-30(33)27-10-7-23(8-11-27)17-24-13-15-32(16-14-24)20-25-9-12-28-29(18-25)35-21-34-28/h2-12,18,22,24H,13-17,19-21H2,1H3,(H,31,33)
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1.18E+4n/an/an/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Binding affinity to MCH1 receptor


Eur J Med Chem 44: 2583-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.031
BindingDB Entry DOI: 10.7270/Q2TH8MRK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50293454
PNG
(4-((1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-...)
Show SMILES O=C(NCC1CC1)c1ccc(CC2CCN(Cc3ccc4OCOc4c3)CC2)cc1
Show InChI InChI=1S/C25H30N2O3/c28-25(26-15-20-1-2-20)22-6-3-18(4-7-22)13-19-9-11-27(12-10-19)16-21-5-8-23-24(14-21)30-17-29-23/h3-8,14,19-20H,1-2,9-13,15-17H2,(H,26,28)
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1.39E+4n/an/an/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Binding affinity to MCH1 receptor


Eur J Med Chem 44: 2583-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.031
BindingDB Entry DOI: 10.7270/Q2TH8MRK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50293465
PNG
((R)-N-(1-(4-bromophenyl)ethyl)-4-((1-(furan-2-ylme...)
Show SMILES C[C@@H](NC(=O)c1ccc(C=C2CCN(Cc3ccco3)CC2)cc1)c1ccc(Br)cc1
Show InChI InChI=1S/C26H27BrN2O2/c1-19(22-8-10-24(27)11-9-22)28-26(30)23-6-4-20(5-7-23)17-21-12-14-29(15-13-21)18-25-3-2-16-31-25/h2-11,16-17,19H,12-15,18H2,1H3,(H,28,30)/t19-/m1/s1
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1.56E+4n/an/an/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Binding affinity to MCH1 receptor


Eur J Med Chem 44: 2583-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.031
BindingDB Entry DOI: 10.7270/Q2TH8MRK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50293464
PNG
((R)-4-((1-(benzo[d][1,3]dioxol-4-ylmethyl)piperidi...)
Show SMILES C[C@@H](NC(=O)c1ccc(C=C2CCN(Cc3cccc4OCOc34)CC2)cc1)c1ccc(Br)cc1
Show InChI InChI=1S/C29H29BrN2O3/c1-20(23-9-11-26(30)12-10-23)31-29(33)24-7-5-21(6-8-24)17-22-13-15-32(16-14-22)18-25-3-2-4-27-28(25)35-19-34-27/h2-12,17,20H,13-16,18-19H2,1H3,(H,31,33)/t20-/m1/s1
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1.74E+4n/an/an/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Binding affinity to MCH1 receptor


Eur J Med Chem 44: 2583-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.031
BindingDB Entry DOI: 10.7270/Q2TH8MRK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50293466
PNG
((R)-N-(1-(4-bromophenyl)ethyl)-4-((1-(cyclohexylme...)
Show SMILES C[C@@H](NC(=O)c1ccc(C=C2CCN(CC3CCCCC3)CC2)cc1)c1ccc(Br)cc1
Show InChI InChI=1S/C28H35BrN2O/c1-21(25-11-13-27(29)14-12-25)30-28(32)26-9-7-22(8-10-26)19-23-15-17-31(18-16-23)20-24-5-3-2-4-6-24/h7-14,19,21,24H,2-6,15-18,20H2,1H3,(H,30,32)/t21-/m1/s1
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3.66E+4n/an/an/an/an/an/an/an/a



University of Jordan

Curated by ChEMBL


Assay Description
Binding affinity to MCH1 receptor


Eur J Med Chem 44: 2583-96 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.031
BindingDB Entry DOI: 10.7270/Q2TH8MRK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%