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Compile Data Set for Download or QSAR

Found 585 hits with Last Name = 'hudson' and Initial = 's'   
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))
BDBM50188823
PNG
(3-(6-(3-(dimethylamino)pyrrolidin-1-yl)pyridin-3-y...)
Show SMILES COc1ccc(cc1)-c1ccc2c(c1)occ(-c1ccc(nc1)N1CCC(C1)N(C)C)c2=O
Show InChI InChI=1S/C27H27N3O3/c1-29(2)21-12-13-30(16-21)26-11-7-20(15-28-26)24-17-33-25-14-19(6-10-23(25)27(24)31)18-4-8-22(32-3)9-5-18/h4-11,14-15,17,21H,12-13,16H2,1-3H3
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0.600n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human MCH1R


Bioorg Med Chem Lett 16: 4237-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.075
BindingDB Entry DOI: 10.7270/Q2N29XRN
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50190927
PNG
(CHEMBL214513 | N-((S)-1-((R)-3-(4,4-dimethylcycloh...)
Show SMILES CCc1ccc(cc1)-c1ccc(s1)C(=O)N(C)[C@H]1CCN(C1)C(=O)N1CC[C@H](C1)NC1CCC(C)(C)CC1
Show InChI InChI=1S/C31H44N4O2S/c1-5-22-6-8-23(9-7-22)27-10-11-28(38-27)29(36)33(4)26-15-19-35(21-26)30(37)34-18-14-25(20-34)32-24-12-16-31(2,3)17-13-24/h6-11,24-26,32H,5,12-21H2,1-4H3/t25-,26+/m1/s1
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0.700n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MCHR1 by competitive binding assay


Bioorg Med Chem Lett 16: 4922-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.049
BindingDB Entry DOI: 10.7270/Q2TM7BX5
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50190919
PNG
(CHEMBL386454 | N-((S)-1-((R)-3-(4,4-dimethylcycloh...)
Show SMILES COc1ccc(cc1)-c1ccc(s1)C(=O)N(C)[C@H]1CCN(C1)C(=O)N1CC[C@H](C1)NC1CCC(C)(C)CC1
Show InChI InChI=1S/C30H42N4O3S/c1-30(2)15-11-22(12-16-30)31-23-13-17-33(19-23)29(36)34-18-14-24(20-34)32(3)28(35)27-10-9-26(38-27)21-5-7-25(37-4)8-6-21/h5-10,22-24,31H,11-20H2,1-4H3/t23-,24+/m1/s1
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0.900n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MCHR1 by competitive binding assay


Bioorg Med Chem Lett 16: 4922-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.049
BindingDB Entry DOI: 10.7270/Q2TM7BX5
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50188825
PNG
((S)-7-(4-chlorophenyl)-3-(6-(3-(dimethylamino)pyrr...)
Show SMILES CN(C)[C@H]1CCN(C1)c1ccc(cn1)-c1coc2cc(ccc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H24ClN3O2/c1-29(2)21-11-12-30(15-21)25-10-6-19(14-28-25)23-16-32-24-13-18(5-9-22(24)26(23)31)17-3-7-20(27)8-4-17/h3-10,13-14,16,21H,11-12,15H2,1-2H3/t21-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human MCH1R


Bioorg Med Chem Lett 16: 4237-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.075
BindingDB Entry DOI: 10.7270/Q2N29XRN
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50188826
PNG
((R)-7-(4-chlorophenyl)-3-(6-(3-(dimethylamino)pyrr...)
Show SMILES CN(C)[C@@H]1CCN(C1)c1ccc(cn1)-c1coc2cc(ccc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H24ClN3O2/c1-29(2)21-11-12-30(15-21)25-10-6-19(14-28-25)23-16-32-24-13-18(5-9-22(24)26(23)31)17-3-7-20(27)8-4-17/h3-10,13-14,16,21H,11-12,15H2,1-2H3/t21-/m1/s1
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1.60n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human MCH1R


Bioorg Med Chem Lett 16: 4237-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.075
BindingDB Entry DOI: 10.7270/Q2N29XRN
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50190948
PNG
(CHEMBL442064 | N-((S)-1-((R)-3-(4,4-dimethylcycloh...)
Show SMILES CN([C@H]1CCN(C1)C(=O)N1CC[C@H](C1)NC1CCC(C)(C)CC1)C(=O)c1ccc(s1)-c1ccc(C)cc1
Show InChI InChI=1S/C30H42N4O2S/c1-21-5-7-22(8-6-21)26-9-10-27(37-26)28(35)32(4)25-14-18-34(20-25)29(36)33-17-13-24(19-33)31-23-11-15-30(2,3)16-12-23/h5-10,23-25,31H,11-20H2,1-4H3/t24-,25+/m1/s1
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1.60n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MCHR1 by competitive binding assay


Bioorg Med Chem Lett 16: 4922-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.049
BindingDB Entry DOI: 10.7270/Q2TM7BX5
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50190943
PNG
(5-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-N-((S)-1-(...)
Show SMILES CN([C@H]1CCN(C1)C(=O)N1CC[C@H](C1)NC1CCC(C)(C)CC1)C(=O)c1ccc(s1)-c1ccc2OCCOc2c1
Show InChI InChI=1S/C31H42N4O4S/c1-31(2)12-8-22(9-13-31)32-23-10-14-34(19-23)30(37)35-15-11-24(20-35)33(3)29(36)28-7-6-27(40-28)21-4-5-25-26(18-21)39-17-16-38-25/h4-7,18,22-24,32H,8-17,19-20H2,1-3H3/t23-,24+/m1/s1
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1.90n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MCHR1 by competitive binding assay


Bioorg Med Chem Lett 16: 4922-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.049
BindingDB Entry DOI: 10.7270/Q2TM7BX5
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50190922
PNG
(5-(4-ethylphenyl)-N-methyl-N-((S)-1-((R)-3-(tetrah...)
Show SMILES CCc1ccc(cc1)-c1ccc(s1)C(=O)N(C)[C@H]1CCN(C1)C(=O)N1CC[C@H](C1)NC1CCOCC1
Show InChI InChI=1S/C28H38N4O3S/c1-3-20-4-6-21(7-5-20)25-8-9-26(36-25)27(33)30(2)24-11-15-32(19-24)28(34)31-14-10-23(18-31)29-22-12-16-35-17-13-22/h4-9,22-24,29H,3,10-19H2,1-2H3/t23-,24+/m1/s1
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2n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MCHR1 by competitive binding assay


Bioorg Med Chem Lett 16: 4922-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.049
BindingDB Entry DOI: 10.7270/Q2TM7BX5
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50190931
PNG
(CHEMBL265255 | N-((S)-1-((R)-3-(cyclopentylamino)p...)
Show SMILES CCc1ccc(cc1)-c1ccc(s1)C(=O)N(C)[C@H]1CCN(C1)C(=O)N1CC[C@H](C1)NC1CCCC1
Show InChI InChI=1S/C28H38N4O2S/c1-3-20-8-10-21(11-9-20)25-12-13-26(35-25)27(33)30(2)24-15-17-32(19-24)28(34)31-16-14-23(18-31)29-22-6-4-5-7-22/h8-13,22-24,29H,3-7,14-19H2,1-2H3/t23-,24+/m1/s1
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2n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MCHR1 by competitive binding assay


Bioorg Med Chem Lett 16: 4922-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.049
BindingDB Entry DOI: 10.7270/Q2TM7BX5
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50188817
PNG
(3-(6-(3-(dimethylamino)pyrrolidin-1-yl)pyridin-3-y...)
Show SMILES CN(C)C1CCN(C1)c1ccc(cn1)-c1coc2cc(ccc2c1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C26H24FN3O2/c1-29(2)21-11-12-30(15-21)25-10-6-19(14-28-25)23-16-32-24-13-18(5-9-22(24)26(23)31)17-3-7-20(27)8-4-17/h3-10,13-14,16,21H,11-12,15H2,1-2H3
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2n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human MCH1R


Bioorg Med Chem Lett 16: 4237-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.075
BindingDB Entry DOI: 10.7270/Q2N29XRN
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50188834
PNG
(7-(4-chlorophenyl)-3-(6-(3-(dimethylamino)pyrrolid...)
Show SMILES CN(C)C1CCN(C1)c1ccc(cn1)-c1coc2cc(ccc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H24ClN3O2/c1-29(2)21-11-12-30(15-21)25-10-6-19(14-28-25)23-16-32-24-13-18(5-9-22(24)26(23)31)17-3-7-20(27)8-4-17/h3-10,13-14,16,21H,11-12,15H2,1-2H3
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2.10n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human MCH1R


Bioorg Med Chem Lett 16: 4237-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.075
BindingDB Entry DOI: 10.7270/Q2N29XRN
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50190941
PNG
(CHEMBL387013 | N-((S)-1-((R)-3-(3-cyclohexylpropyl...)
Show SMILES COc1ccc(-c2ccc(s2)C(=O)N(C)[C@H]2CCN(C2)C(=O)N2CC[C@H](C2)NCCCC2CCCCC2)c(C)c1
Show InChI InChI=1S/C32H46N4O3S/c1-23-20-27(39-3)11-12-28(23)29-13-14-30(40-29)31(37)34(2)26-16-19-36(22-26)32(38)35-18-15-25(21-35)33-17-7-10-24-8-5-4-6-9-24/h11-14,20,24-26,33H,4-10,15-19,21-22H2,1-3H3/t25-,26+/m1/s1
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2.20n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MCHR1 by competitive binding assay


Bioorg Med Chem Lett 16: 4922-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.049
BindingDB Entry DOI: 10.7270/Q2TM7BX5
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50190940
PNG
(CHEMBL383933 | N-((S)-1-((R)-3-(4,4-dimethylcycloh...)
Show SMILES COc1ccc(-c2ccc(s2)C(=O)N(C)[C@H]2CCN(C2)C(=O)N2CC[C@H](C2)NC2CCC(C)(C)CC2)c(C)c1
Show InChI InChI=1S/C31H44N4O3S/c1-21-18-25(38-5)6-7-26(21)27-8-9-28(39-27)29(36)33(4)24-13-17-35(20-24)30(37)34-16-12-23(19-34)32-22-10-14-31(2,3)15-11-22/h6-9,18,22-24,32H,10-17,19-20H2,1-5H3/t23-,24+/m1/s1
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2.40n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MCHR1 by competitive binding assay


Bioorg Med Chem Lett 16: 4922-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.049
BindingDB Entry DOI: 10.7270/Q2TM7BX5
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50188835
PNG
(7-(4-bromophenyl)-3-(6-(3-(dimethylamino)pyrrolidi...)
Show SMILES CN(C)C1CCN(C1)c1ccc(cn1)-c1coc2cc(ccc2c1=O)-c1ccc(Br)cc1
Show InChI InChI=1S/C26H24BrN3O2/c1-29(2)21-11-12-30(15-21)25-10-6-19(14-28-25)23-16-32-24-13-18(5-9-22(24)26(23)31)17-3-7-20(27)8-4-17/h3-10,13-14,16,21H,11-12,15H2,1-2H3
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3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human MCH1R


Bioorg Med Chem Lett 16: 4237-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.075
BindingDB Entry DOI: 10.7270/Q2N29XRN
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50190929
PNG
(5-(4-ethylphenyl)-N-methyl-N-((S)-1-((R)-3-(methyl...)
Show SMILES CCc1ccc(cc1)-c1ccc(s1)C(=O)N(C)[C@H]1CCN(C1)C(=O)N1CC[C@H](C1)N(C)C1CCOCC1
Show InChI InChI=1S/C29H40N4O3S/c1-4-21-5-7-22(8-6-21)26-9-10-27(37-26)28(34)31(3)25-12-16-33(20-25)29(35)32-15-11-24(19-32)30(2)23-13-17-36-18-14-23/h5-10,23-25H,4,11-20H2,1-3H3/t24-,25+/m1/s1
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3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MCHR1 by competitive binding assay


Bioorg Med Chem Lett 16: 4922-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.049
BindingDB Entry DOI: 10.7270/Q2TM7BX5
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50188832
PNG
(3-(6-(3-(dimethylamino)pyrrolidin-1-yl)pyridin-3-y...)
Show SMILES COc1ccc(c(C)c1)-c1ccc2c(c1)occ(-c1ccc(nc1)N1CCC(C1)N(C)C)c2=O
Show InChI InChI=1S/C28H29N3O3/c1-18-13-22(33-4)7-9-23(18)19-5-8-24-26(14-19)34-17-25(28(24)32)20-6-10-27(29-15-20)31-12-11-21(16-31)30(2)3/h5-10,13-15,17,21H,11-12,16H2,1-4H3
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3.30n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human MCH1R


Bioorg Med Chem Lett 16: 4237-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.075
BindingDB Entry DOI: 10.7270/Q2N29XRN
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50190918
PNG
(CHEMBL215067 | N-((S)-1-((R)-3-(4,4-dimethylcycloh...)
Show SMILES CN([C@H]1CCN(C1)C(=O)N1CC[C@H](C1)NC1CCC(C)(C)CC1)C(=O)c1ccc(s1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C30H39F3N4O2S/c1-29(2)14-10-22(11-15-29)34-23-12-16-36(18-23)28(39)37-17-13-24(19-37)35(3)27(38)26-9-8-25(40-26)20-4-6-21(7-5-20)30(31,32)33/h4-9,22-24,34H,10-19H2,1-3H3/t23-,24+/m1/s1
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3.70n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MCHR1 by competitive binding assay


Bioorg Med Chem Lett 16: 4922-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.049
BindingDB Entry DOI: 10.7270/Q2TM7BX5
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50190925
PNG
(4'-Ethyl-biphenyl-4-carboxylic acid methyl-[(S)-1-...)
Show SMILES CCc1ccc(cc1)-c1ccc(cc1)C(=O)N(C)[C@H]1CCN(C1)C(=O)N1CC[C@H](C1)N1CCCCC1
Show InChI InChI=1S/C30H40N4O2/c1-3-23-7-9-24(10-8-23)25-11-13-26(14-12-25)29(35)31(2)27-15-19-33(21-27)30(36)34-20-16-28(22-34)32-17-5-4-6-18-32/h7-14,27-28H,3-6,15-22H2,1-2H3/t27-,28+/m0/s1
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4n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MCHR1 by competitive binding assay


Bioorg Med Chem Lett 16: 4922-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.049
BindingDB Entry DOI: 10.7270/Q2TM7BX5
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50190920
PNG
(4'-ethyl-biphenyl-4-carboxylic acid {(S)-1-[(R)-3-...)
Show SMILES CCc1ccc(cc1)-c1ccc(cc1)C(=O)N(C)[C@H]1CCN(C1)C(=O)N1CC[C@H](C1)N[C@@H](C)C(C)C
Show InChI InChI=1S/C30H42N4O2/c1-6-23-7-9-24(10-8-23)25-11-13-26(14-12-25)29(35)32(5)28-16-18-34(20-28)30(36)33-17-15-27(19-33)31-22(4)21(2)3/h7-14,21-22,27-28,31H,6,15-20H2,1-5H3/t22-,27+,28-/m0/s1
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4n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MCHR1 by competitive binding assay


Bioorg Med Chem Lett 16: 4922-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.049
BindingDB Entry DOI: 10.7270/Q2TM7BX5
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50188820
PNG
(3-(6-(3-(dimethylamino)pyrrolidin-1-yl)pyridin-3-y...)
Show SMILES CN(C)C1CCN(C1)c1ccc(cn1)-c1coc2cc(ccc2c1=O)-c1ccccc1
Show InChI InChI=1S/C26H25N3O2/c1-28(2)21-12-13-29(16-21)25-11-9-20(15-27-25)23-17-31-24-14-19(8-10-22(24)26(23)30)18-6-4-3-5-7-18/h3-11,14-15,17,21H,12-13,16H2,1-2H3
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4.10n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human MCH1R


Bioorg Med Chem Lett 16: 4237-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.075
BindingDB Entry DOI: 10.7270/Q2N29XRN
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50188839
PNG
(7-(benzo[d][1,3]dioxol-5-yl)-3-(6-(3-(dimethylamin...)
Show SMILES CN(C)C1CCN(C1)c1ccc(cn1)-c1coc2cc(ccc2c1=O)-c1ccc2OCOc2c1
Show InChI InChI=1S/C27H25N3O4/c1-29(2)20-9-10-30(14-20)26-8-5-19(13-28-26)22-15-32-24-11-17(3-6-21(24)27(22)31)18-4-7-23-25(12-18)34-16-33-23/h3-8,11-13,15,20H,9-10,14,16H2,1-2H3
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4.70n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human MCH1R


Bioorg Med Chem Lett 16: 4237-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.075
BindingDB Entry DOI: 10.7270/Q2N29XRN
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50190947
PNG
(4'-ethyl-biphenyl-4-carboxylic acid {(S)-1-[(R)-3-...)
Show SMILES CCc1ccc(cc1)-c1ccc(cc1)C(=O)N(C)[C@H]1CCN(C1)C(=O)N1CC[C@H](C1)NCCCC1CCCCC1
Show InChI InChI=1S/C34H48N4O2/c1-3-26-11-13-28(14-12-26)29-15-17-30(18-16-29)33(39)36(2)32-20-23-38(25-32)34(40)37-22-19-31(24-37)35-21-7-10-27-8-5-4-6-9-27/h11-18,27,31-32,35H,3-10,19-25H2,1-2H3/t31-,32+/m1/s1
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4.90n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MCHR1 by competitive binding assay


Bioorg Med Chem Lett 16: 4922-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.049
BindingDB Entry DOI: 10.7270/Q2TM7BX5
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50190934
PNG
(4'-ethyl-biphenyl-4-carboxylic acid methyl-{(S)-1-...)
Show SMILES CCc1ccc(cc1)-c1ccc(cc1)C(=O)N(C)[C@H]1CCN(C1)C(=O)N1CC[C@H](C1)NC1CCOCC1
Show InChI InChI=1S/C30H40N4O3/c1-3-22-4-6-23(7-5-22)24-8-10-25(11-9-24)29(35)32(2)28-13-17-34(21-28)30(36)33-16-12-27(20-33)31-26-14-18-37-19-15-26/h4-11,26-28,31H,3,12-21H2,1-2H3/t27-,28+/m1/s1
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5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MCHR1 by competitive binding assay


Bioorg Med Chem Lett 16: 4922-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.049
BindingDB Entry DOI: 10.7270/Q2TM7BX5
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50190921
PNG
(CHEMBL267797 | N-((S)-1-((R)-3-(dimethylamino)pyrr...)
Show SMILES CCc1ccc(cc1)-c1ccc(s1)C(=O)N(C)[C@H]1CCN(C1)C(=O)N1CC[C@H](C1)N(C)C
Show InChI InChI=1S/C25H34N4O2S/c1-5-18-6-8-19(9-7-18)22-10-11-23(32-22)24(30)27(4)21-13-15-29(17-21)25(31)28-14-12-20(16-28)26(2)3/h6-11,20-21H,5,12-17H2,1-4H3/t20-,21+/m1/s1
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5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MCHR1 by competitive binding assay


Bioorg Med Chem Lett 16: 4922-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.049
BindingDB Entry DOI: 10.7270/Q2TM7BX5
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50170395
PNG
(Biphenyl-4-carboxylic acid [6-(3-methylamino-pyrro...)
Show SMILES CNC1CCN(C1)c1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cn1
Show InChI InChI=1S/C23H24N4O/c1-24-21-13-14-27(16-21)22-12-11-20(15-25-22)26-23(28)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-12,15,21,24H,13-14,16H2,1H3,(H,26,28)
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5.20n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human MCH1R


Bioorg Med Chem Lett 16: 4237-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.075
BindingDB Entry DOI: 10.7270/Q2N29XRN
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50188827
PNG
(3-(6-(3-(dimethylamino)pyrrolidin-1-yl)pyridin-3-y...)
Show SMILES CN(C)C1CCN(C1)c1ccc(cn1)-c1coc2cc(ccc2c1=O)C1=CCC2OCCOC2C1 |t:29|
Show InChI InChI=1S/C28H31N3O4/c1-30(2)21-9-10-31(16-21)27-8-5-20(15-29-27)23-17-35-25-13-18(3-6-22(25)28(23)32)19-4-7-24-26(14-19)34-12-11-33-24/h3-6,8,13,15,17,21,24,26H,7,9-12,14,16H2,1-2H3
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5.40n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human MCH1R


Bioorg Med Chem Lett 16: 4237-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.075
BindingDB Entry DOI: 10.7270/Q2N29XRN
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50190932
PNG
(4'-methoxy-2'-methyl-biphenyl-4-carboxylic acid {(...)
Show SMILES COc1ccc(c(C)c1)-c1ccc(cc1)C(=O)N(C)[C@H]1CCN(C1)C(=O)N1CC[C@H](C1)NCCCC1CCCCC1
Show InChI InChI=1S/C34H48N4O3/c1-25-22-31(41-3)15-16-32(25)27-11-13-28(14-12-27)33(39)36(2)30-18-21-38(24-30)34(40)37-20-17-29(23-37)35-19-7-10-26-8-5-4-6-9-26/h11-16,22,26,29-30,35H,4-10,17-21,23-24H2,1-3H3/t29-,30+/m1/s1
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5.70n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MCHR1 by competitive binding assay


Bioorg Med Chem Lett 16: 4922-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.049
BindingDB Entry DOI: 10.7270/Q2TM7BX5
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50190944
PNG
(5-(4-ethylphenyl)-N-methyl-N-((S)-1-((R)-3-(methyl...)
Show SMILES CCc1ccc(cc1)-c1ccc(s1)C(=O)N(C)[C@H]1CCN(C1)C(=O)N1CC[C@H](C1)NC
Show InChI InChI=1S/C24H32N4O2S/c1-4-17-5-7-18(8-6-17)21-9-10-22(31-21)23(29)26(3)20-12-14-28(16-20)24(30)27-13-11-19(15-27)25-2/h5-10,19-20,25H,4,11-16H2,1-3H3/t19-,20+/m1/s1
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6n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MCHR1 by competitive binding assay


Bioorg Med Chem Lett 16: 4922-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.049
BindingDB Entry DOI: 10.7270/Q2TM7BX5
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50188840
PNG
(7-(4-chloro-2-methylphenyl)-3-(6-(3-(dimethylamino...)
Show SMILES CN(C)C1CCN(C1)c1ccc(cn1)-c1coc2cc(ccc2c1=O)-c1ccc(Cl)cc1C
Show InChI InChI=1S/C27H26ClN3O2/c1-17-12-20(28)6-8-22(17)18-4-7-23-25(13-18)33-16-24(27(23)32)19-5-9-26(29-14-19)31-11-10-21(15-31)30(2)3/h4-9,12-14,16,21H,10-11,15H2,1-3H3
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7.10n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human MCH1R


Bioorg Med Chem Lett 16: 4237-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.075
BindingDB Entry DOI: 10.7270/Q2N29XRN
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50188824
PNG
(3-(6-(3-(dimethylamino)pyrrolidin-1-yl)pyridin-3-y...)
Show SMILES CN(C)C1CCN(C1)c1ccc(cn1)-c1coc2cc(Oc3ccccc3)ccc2c1=O
Show InChI InChI=1S/C26H25N3O3/c1-28(2)19-12-13-29(16-19)25-11-8-18(15-27-25)23-17-31-24-14-21(9-10-22(24)26(23)30)32-20-6-4-3-5-7-20/h3-11,14-15,17,19H,12-13,16H2,1-2H3
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7.20n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human MCH1R


Bioorg Med Chem Lett 16: 4237-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.075
BindingDB Entry DOI: 10.7270/Q2N29XRN
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50190933
PNG
(5-(4-ethylphenyl)-N-methyl-N-((S)-1-((R)-3-((tetra...)
Show SMILES CCc1ccc(cc1)-c1ccc(s1)C(=O)N(C)[C@H]1CCN(C1)C(=O)N1CC[C@H](C1)NCC1CCOCC1
Show InChI InChI=1S/C29H40N4O3S/c1-3-21-4-6-23(7-5-21)26-8-9-27(37-26)28(34)31(2)25-11-15-33(20-25)29(35)32-14-10-24(19-32)30-18-22-12-16-36-17-13-22/h4-9,22,24-25,30H,3,10-20H2,1-2H3/t24-,25+/m1/s1
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8n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MCHR1 by competitive binding assay


Bioorg Med Chem Lett 16: 4922-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.049
BindingDB Entry DOI: 10.7270/Q2TM7BX5
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50188830
PNG
(3-(6-(3-(dimethylamino)pyrrolidin-1-yl)pyridin-3-y...)
Show SMILES CCc1ccc(cc1)-c1ccc2c(c1)occ(-c1ccc(nc1)N1CCC(C1)N(C)C)c2=O
Show InChI InChI=1S/C28H29N3O2/c1-4-19-5-7-20(8-6-19)21-9-11-24-26(15-21)33-18-25(28(24)32)22-10-12-27(29-16-22)31-14-13-23(17-31)30(2)3/h5-12,15-16,18,23H,4,13-14,17H2,1-3H3
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8.80n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human MCH1R


Bioorg Med Chem Lett 16: 4237-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.075
BindingDB Entry DOI: 10.7270/Q2N29XRN
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50188841
PNG
(3-(6-(3-(dimethylamino)pyrrolidin-1-yl)pyridin-3-y...)
Show SMILES CN(C)C1CCN(C1)c1ccc(cn1)-c1coc2cc(ccc2c1=O)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C27H24F3N3O2/c1-32(2)21-11-12-33(15-21)25-10-6-19(14-31-25)23-16-35-24-13-18(5-9-22(24)26(23)34)17-3-7-20(8-4-17)27(28,29)30/h3-10,13-14,16,21H,11-12,15H2,1-2H3
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10n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human MCH1R


Bioorg Med Chem Lett 16: 4237-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.075
BindingDB Entry DOI: 10.7270/Q2N29XRN
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50188836
PNG
(7-(4-chloro-3-methylphenyl)-3-(6-(3-(dimethylamino...)
Show SMILES CN(C)C1CCN(C1)c1ccc(cn1)-c1coc2cc(ccc2c1=O)-c1ccc(Cl)c(C)c1
Show InChI InChI=1S/C27H26ClN3O2/c1-17-12-18(5-8-24(17)28)19-4-7-22-25(13-19)33-16-23(27(22)32)20-6-9-26(29-14-20)31-11-10-21(15-31)30(2)3/h4-9,12-14,16,21H,10-11,15H2,1-3H3
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10n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human MCH1R


Bioorg Med Chem Lett 16: 4237-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.075
BindingDB Entry DOI: 10.7270/Q2N29XRN
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50190936
PNG
(5-(4-methoxyphenyl)-N-methyl-N-((S)-1-((R)-3-(tetr...)
Show SMILES COc1ccc(cc1)-c1ccc(s1)C(=O)N(C)[C@H]1CCN(C1)C(=O)N1CC[C@H](C1)NC1CCOCC1
Show InChI InChI=1S/C27H36N4O4S/c1-29(26(32)25-8-7-24(36-25)19-3-5-23(34-2)6-4-19)22-10-14-31(18-22)27(33)30-13-9-21(17-30)28-20-11-15-35-16-12-20/h3-8,20-22,28H,9-18H2,1-2H3/t21-,22+/m1/s1
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10n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MCHR1 by competitive binding assay


Bioorg Med Chem Lett 16: 4922-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.049
BindingDB Entry DOI: 10.7270/Q2TM7BX5
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50190938
PNG
(5-(4-ethylphenyl)-N-((S)-1-((R)-3-(isopropylamino)...)
Show SMILES CCc1ccc(cc1)-c1ccc(s1)C(=O)N(C)[C@H]1CCN(C1)C(=O)N1CC[C@H](C1)NC(C)C
Show InChI InChI=1S/C26H36N4O2S/c1-5-19-6-8-20(9-7-19)23-10-11-24(33-23)25(31)28(4)22-13-15-30(17-22)26(32)29-14-12-21(16-29)27-18(2)3/h6-11,18,21-22,27H,5,12-17H2,1-4H3/t21-,22+/m1/s1
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11n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MCHR1 by competitive binding assay


Bioorg Med Chem Lett 16: 4922-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.049
BindingDB Entry DOI: 10.7270/Q2TM7BX5
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50190939
PNG
(4'-ethyl-biphenyl-4-carboxylic acid [(S)-1-((R)-3-...)
Show SMILES CCc1ccc(cc1)-c1ccc(cc1)C(=O)N(C)[C@H]1CCN(C1)C(=O)N1CC[C@H](C1)NC(C)C
Show InChI InChI=1S/C28H38N4O2/c1-5-21-6-8-22(9-7-21)23-10-12-24(13-11-23)27(33)30(4)26-15-17-32(19-26)28(34)31-16-14-25(18-31)29-20(2)3/h6-13,20,25-26,29H,5,14-19H2,1-4H3/t25-,26+/m1/s1
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11n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MCHR1 by competitive binding assay


Bioorg Med Chem Lett 16: 4922-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.049
BindingDB Entry DOI: 10.7270/Q2TM7BX5
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50188833
PNG
(3-(6-(3-(dimethylamino)pyrrolidin-1-yl)pyridin-3-y...)
Show SMILES CN(C)C1CCN(C1)c1ccc(cn1)-c1coc2cc(Oc3ccc(F)cc3)ccc2c1=O
Show InChI InChI=1S/C26H24FN3O3/c1-29(2)19-11-12-30(15-19)25-10-3-17(14-28-25)23-16-32-24-13-21(8-9-22(24)26(23)31)33-20-6-4-18(27)5-7-20/h3-10,13-14,16,19H,11-12,15H2,1-2H3
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13n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human MCH1R


Bioorg Med Chem Lett 16: 4237-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.075
BindingDB Entry DOI: 10.7270/Q2N29XRN
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50190935
PNG
(4'-ethyl-biphenyl-4-carboxylic acid {(S)-1-[(R)-3-...)
Show SMILES CCc1ccc(cc1)-c1ccc(cc1)C(=O)N(C)[C@H]1CCN(C1)C(=O)N1CC[C@H](C1)N[C@@H](C)COC
Show InChI InChI=1S/C29H40N4O3/c1-5-22-6-8-23(9-7-22)24-10-12-25(13-11-24)28(34)31(3)27-15-17-33(19-27)29(35)32-16-14-26(18-32)30-21(2)20-36-4/h6-13,21,26-27,30H,5,14-20H2,1-4H3/t21-,26+,27-/m0/s1
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14n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MCHR1 by competitive binding assay


Bioorg Med Chem Lett 16: 4922-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.049
BindingDB Entry DOI: 10.7270/Q2TM7BX5
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50188821
PNG
(7-(2,4-dichlorophenyl)-3-(6-(3-(dimethylamino)pyrr...)
Show SMILES CN(C)C1CCN(C1)c1ccc(cn1)-c1coc2cc(ccc2c1=O)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C26H23Cl2N3O2/c1-30(2)19-9-10-31(14-19)25-8-4-17(13-29-25)22-15-33-24-11-16(3-6-21(24)26(22)32)20-7-5-18(27)12-23(20)28/h3-8,11-13,15,19H,9-10,14H2,1-2H3
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14n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human MCH1R


Bioorg Med Chem Lett 16: 4237-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.075
BindingDB Entry DOI: 10.7270/Q2N29XRN
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50190923
PNG
(CHEMBL386969 | N-((S)-1-((R)-3-(4,4-dimethylcycloh...)
Show SMILES CCOc1ccc(cc1)-c1ccc(s1)C(=O)N(C)[C@H]1CCN(C1)C(=O)N1CC[C@H](C1)NC1CCC(C)(C)CC1
Show InChI InChI=1S/C31H44N4O3S/c1-5-38-26-8-6-22(7-9-26)27-10-11-28(39-27)29(36)33(4)25-15-19-35(21-25)30(37)34-18-14-24(20-34)32-23-12-16-31(2,3)17-13-23/h6-11,23-25,32H,5,12-21H2,1-4H3/t24-,25+/m1/s1
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16n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MCHR1 by competitive binding assay


Bioorg Med Chem Lett 16: 4922-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.049
BindingDB Entry DOI: 10.7270/Q2TM7BX5
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50188828
PNG
(7-(2,4-dimethoxyphenyl)-3-(6-(3-(dimethylamino)pyr...)
Show SMILES COc1ccc(c(OC)c1)-c1ccc2c(c1)occ(-c1ccc(nc1)N1CCC(C1)N(C)C)c2=O
Show InChI InChI=1S/C28H29N3O4/c1-30(2)20-11-12-31(16-20)27-10-6-19(15-29-27)24-17-35-26-13-18(5-8-23(26)28(24)32)22-9-7-21(33-3)14-25(22)34-4/h5-10,13-15,17,20H,11-12,16H2,1-4H3
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16n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human MCH1R


Bioorg Med Chem Lett 16: 4237-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.075
BindingDB Entry DOI: 10.7270/Q2N29XRN
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50190930
PNG
(4'-ethyl-biphenyl-4-carboxylic acid [(S)-1-((R)-3-...)
Show SMILES CCc1ccc(cc1)-c1ccc(cc1)C(=O)N(C)[C@H]1CCN(C1)C(=O)N1CC[C@@H](N)C1
Show InChI InChI=1S/C25H32N4O2/c1-3-18-4-6-19(7-5-18)20-8-10-21(11-9-20)24(30)27(2)23-13-15-29(17-23)25(31)28-14-12-22(26)16-28/h4-11,22-23H,3,12-17,26H2,1-2H3/t22-,23+/m1/s1
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18n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MCHR1 by competitive binding assay


Bioorg Med Chem Lett 16: 4922-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.049
BindingDB Entry DOI: 10.7270/Q2TM7BX5
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50188842
PNG
(3-(6-(3-(dimethylamino)pyrrolidin-1-yl)pyridin-3-y...)
Show SMILES COc1ccncc1-c1ccc2c(c1)occ(-c1ccc(nc1)N1CCC(C1)N(C)C)c2=O
Show InChI InChI=1S/C26H26N4O3/c1-29(2)19-9-11-30(15-19)25-7-5-18(13-28-25)22-16-33-24-12-17(4-6-20(24)26(22)31)21-14-27-10-8-23(21)32-3/h4-8,10,12-14,16,19H,9,11,15H2,1-3H3
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18n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human MCH1R


Bioorg Med Chem Lett 16: 4237-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.075
BindingDB Entry DOI: 10.7270/Q2N29XRN
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50188831
PNG
(3-(6-(3-(dimethylamino)pyrrolidin-1-yl)pyridin-3-y...)
Show SMILES CN(C)C1CCN(C1)c1ccc(cn1)-c1coc2cc(Oc3ccc(C)cc3)ccc2c1=O
Show InChI InChI=1S/C27H27N3O3/c1-18-4-7-21(8-5-18)33-22-9-10-23-25(14-22)32-17-24(27(23)31)19-6-11-26(28-15-19)30-13-12-20(16-30)29(2)3/h4-11,14-15,17,20H,12-13,16H2,1-3H3
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19n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human MCH1R


Bioorg Med Chem Lett 16: 4237-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.075
BindingDB Entry DOI: 10.7270/Q2N29XRN
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50190928
PNG
(CHEMBL384234 | N-((S)-1-((R)-3-(3-cyclohexylpropyl...)
Show SMILES CCc1ccc(cc1)-c1ccc(s1)C(=O)N(C)[C@H]1CCN(C1)C(=O)N1CC[C@H](C1)NCCCC1CCCCC1
Show InChI InChI=1S/C32H46N4O2S/c1-3-24-11-13-26(14-12-24)29-15-16-30(39-29)31(37)34(2)28-18-21-36(23-28)32(38)35-20-17-27(22-35)33-19-7-10-25-8-5-4-6-9-25/h11-16,25,27-28,33H,3-10,17-23H2,1-2H3/t27-,28+/m1/s1
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21n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MCHR1 by competitive binding assay


Bioorg Med Chem Lett 16: 4922-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.049
BindingDB Entry DOI: 10.7270/Q2TM7BX5
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50190265
PNG
(4'-trifluoromethyl-biphenyl-4-carboxylic acid {(S)...)
Show SMILES CN([C@H]1CCN(C1)C(=O)N1CC[C@H](C1)NCCCC1CCCCC1)C(=O)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C33H43F3N4O2/c1-38(31(41)27-11-9-25(10-12-27)26-13-15-28(16-14-26)33(34,35)36)30-18-21-40(23-30)32(42)39-20-17-29(22-39)37-19-5-8-24-6-3-2-4-7-24/h9-16,24,29-30,37H,2-8,17-23H2,1H3/t29-,30+/m1/s1
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22n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MCHR1 by competitive binding assay


Bioorg Med Chem Lett 16: 4922-30 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.049
BindingDB Entry DOI: 10.7270/Q2TM7BX5
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50188816
PNG
(7-(4-chlorophenyl)-3-(6-(3-(dimethylamino)pyrrolid...)
Show SMILES CN(C)C1CCN(C1)c1ccc(cn1)-c1cn(C)c2cc(ccc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H27ClN4O/c1-30(2)22-12-13-32(16-22)26-11-7-20(15-29-26)24-17-31(3)25-14-19(6-10-23(25)27(24)33)18-4-8-21(28)9-5-18/h4-11,14-15,17,22H,12-13,16H2,1-3H3
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24n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human MCH1R


Bioorg Med Chem Lett 16: 4237-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.075
BindingDB Entry DOI: 10.7270/Q2N29XRN
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50188837
PNG
(3-(6-(3-(dimethylamino)pyrrolidin-1-yl)pyridin-3-y...)
Show SMILES CN(C)C1CCN(C1)c1ccc(cn1)-c1coc2cc(ccc2c1=O)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C27H24F3N3O3/c1-32(2)20-11-12-33(15-20)25-10-6-19(14-31-25)23-16-35-24-13-18(5-9-22(24)26(23)34)17-3-7-21(8-4-17)36-27(28,29)30/h3-10,13-14,16,20H,11-12,15H2,1-2H3
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24n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human MCH1R


Bioorg Med Chem Lett 16: 4237-42 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.075
BindingDB Entry DOI: 10.7270/Q2N29XRN
More data for this
Ligand-Target Pair
Protein kinase C epsilon type


(Homo sapiens (Human))
BDBM50046071
PNG
(CHEMBL3310277)
Show SMILES OCCc1cc(cc(c1)C1(CC1)C#N)-c1ccnc2[nH]nc(c12)C(F)(F)F
Show InChI InChI=1S/C19H15F3N4O/c20-19(21,22)16-15-14(1-5-24-17(15)26-25-16)12-7-11(2-6-27)8-13(9-12)18(10-23)3-4-18/h1,5,7-9,27H,2-4,6H2,(H,24,25,26)
PDB
MMDB

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25n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of full-length recombinant PKCepsilon (unknown origin) using ERMRPRKRQGSVRRRV peptide substrate by coupled-enzyme assay


Bioorg Med Chem Lett 24: 3398-402 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.082
BindingDB Entry DOI: 10.7270/Q27H1M7X
More data for this
Ligand-Target Pair
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