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Compile Data Set for Download or QSAR

Found 382 hits with Last Name = 'haynes' and Initial = 'a'   
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))
BDBM50475919
PNG
(CHEMBL386050)
Show SMILES COc1cc(ccc1OCCN1CCCC1)N1C(=O)c2ccc(Nc3ccccc3)cc2C1=O
Show InChI InChI=1S/C27H27N3O4/c1-33-25-18-21(10-12-24(25)34-16-15-29-13-5-6-14-29)30-26(31)22-11-9-20(17-23(22)27(30)32)28-19-7-3-2-4-8-19/h2-4,7-12,17-18,28H,5-6,13-16H2,1H3
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16n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4872-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.061
BindingDB Entry DOI: 10.7270/Q29889S7
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50475943
PNG
(CHEMBL386925)
Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cnc2cc(ccc2c1=O)-c1ccccc1
Show InChI InChI=1S/C27H27N3O3/c1-32-26-18-22(10-12-25(26)33-16-15-29-13-5-6-14-29)30-19-28-24-17-21(9-11-23(24)27(30)31)20-7-3-2-4-8-20/h2-4,7-12,17-19H,5-6,13-16H2,1H3
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20n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4872-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.061
BindingDB Entry DOI: 10.7270/Q29889S7
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50475927
PNG
(CHEMBL215508)
Show SMILES COc1cc(ccc1OCCN1CCCC1)N1C(=O)c2ccc(Oc3ccccc3)cc2C1=O
Show InChI InChI=1S/C27H26N2O5/c1-32-25-17-19(9-12-24(25)33-16-15-28-13-5-6-14-28)29-26(30)22-11-10-21(18-23(22)27(29)31)34-20-7-3-2-4-8-20/h2-4,7-12,17-18H,5-6,13-16H2,1H3
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20n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4872-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.061
BindingDB Entry DOI: 10.7270/Q29889S7
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50422930
PNG
(CHEMBL214276)
Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cnc2cc(sc2c1=O)-c1ccccc1
Show InChI InChI=1S/C25H25N3O3S/c1-30-22-15-19(9-10-21(22)31-14-13-27-11-5-6-12-27)28-17-26-20-16-23(32-24(20)25(28)29)18-7-3-2-4-8-18/h2-4,7-10,15-17H,5-6,11-14H2,1H3
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20n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4872-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.061
BindingDB Entry DOI: 10.7270/Q29889S7
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50475930
PNG
(CHEMBL384489)
Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1nnc2cc(ccc2c1=O)-c1ccccc1
Show InChI InChI=1S/C26H26N4O3/c1-32-25-18-21(10-12-24(25)33-16-15-29-13-5-6-14-29)30-26(31)22-11-9-20(17-23(22)27-28-30)19-7-3-2-4-8-19/h2-4,7-12,17-18H,5-6,13-16H2,1H3
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25n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4872-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.061
BindingDB Entry DOI: 10.7270/Q29889S7
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50475931
PNG
(CHEMBL217210)
Show SMILES COc1cc(ccc1OCCN1CCCC1)N1C(=O)c2ccc(Sc3ccccc3)cc2C1=O
Show InChI InChI=1S/C27H26N2O4S/c1-32-25-17-19(9-12-24(25)33-16-15-28-13-5-6-14-28)29-26(30)22-11-10-21(18-23(22)27(29)31)34-20-7-3-2-4-8-20/h2-4,7-12,17-18H,5-6,13-16H2,1H3
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32n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4872-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.061
BindingDB Entry DOI: 10.7270/Q29889S7
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50475936
PNG
(CHEMBL383971)
Show SMILES COc1cc(NC(=O)c2ccc(cc2)C2CCCCC2)ccc1OC[C@@H]1CCCN1C
Show InChI InChI=1S/C26H34N2O3/c1-28-16-6-9-23(28)18-31-24-15-14-22(17-25(24)30-2)27-26(29)21-12-10-20(11-13-21)19-7-4-3-5-8-19/h10-15,17,19,23H,3-9,16,18H2,1-2H3,(H,27,29)/t23-/m0/s1
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40n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4872-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.061
BindingDB Entry DOI: 10.7270/Q29889S7
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50475942
PNG
(CHEMBL214081)
Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1nnc2ccc(Oc3ccccc3)cc2c1=O
Show InChI InChI=1S/C26H26N4O4/c1-32-25-17-19(9-12-24(25)33-16-15-29-13-5-6-14-29)30-26(31)22-18-21(10-11-23(22)27-28-30)34-20-7-3-2-4-8-20/h2-4,7-12,17-18H,5-6,13-16H2,1H3
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40n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4872-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.061
BindingDB Entry DOI: 10.7270/Q29889S7
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50475924
PNG
(CHEMBL215261)
Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cnc2cc(Oc3ccccc3)ccc2c1=O
Show InChI InChI=1S/C27H27N3O4/c1-32-26-17-20(9-12-25(26)33-16-15-29-13-5-6-14-29)30-19-28-24-18-22(10-11-23(24)27(30)31)34-21-7-3-2-4-8-21/h2-4,7-12,17-19H,5-6,13-16H2,1H3
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50n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4872-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.061
BindingDB Entry DOI: 10.7270/Q29889S7
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50475944
PNG
(CHEMBL212487)
Show SMILES COc1cc(NC(=O)c2ccc(cc2)C2CCCCC2)ccc1OC12CCN(C1)CCC2
Show InChI InChI=1S/C27H34N2O3/c1-31-25-18-23(12-13-24(25)32-27-14-5-16-29(19-27)17-15-27)28-26(30)22-10-8-21(9-11-22)20-6-3-2-4-7-20/h8-13,18,20H,2-7,14-17,19H2,1H3,(H,28,30)
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50n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4872-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.061
BindingDB Entry DOI: 10.7270/Q29889S7
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50475922
PNG
(CHEMBL218030)
Show SMILES COc1cc(NC(=O)c2ccc(cc2)C2CCCCC2)ccc1OC1CCN(C)C1
Show InChI InChI=1S/C25H32N2O3/c1-27-15-14-22(17-27)30-23-13-12-21(16-24(23)29-2)26-25(28)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h8-13,16,18,22H,3-7,14-15,17H2,1-2H3,(H,26,28)
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63n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4872-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.061
BindingDB Entry DOI: 10.7270/Q29889S7
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50475938
PNG
(CHEMBL212488)
Show SMILES CCN1CCN(CC1)Oc1ccc(NC(=O)c2ccc(cc2)C2CCCCC2)cc1OC
Show InChI InChI=1S/C26H35N3O3/c1-3-28-15-17-29(18-16-28)32-24-14-13-23(19-25(24)31-2)27-26(30)22-11-9-21(10-12-22)20-7-5-4-6-8-20/h9-14,19-20H,3-8,15-18H2,1-2H3,(H,27,30)
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79n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4872-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.061
BindingDB Entry DOI: 10.7270/Q29889S7
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50475932
PNG
(CHEMBL385054)
Show SMILES COc1cc(NC(=O)c2ccc(cc2)C2CCCCC2)ccc1OC[C@H]1CCCN1C
Show InChI InChI=1S/C26H34N2O3/c1-28-16-6-9-23(28)18-31-24-15-14-22(17-25(24)30-2)27-26(29)21-12-10-20(11-13-21)19-7-4-3-5-8-19/h10-15,17,19,23H,3-9,16,18H2,1-2H3,(H,27,29)/t23-/m1/s1
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79n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4872-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.061
BindingDB Entry DOI: 10.7270/Q29889S7
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50475939
PNG
(CHEMBL216054)
Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1nnc2cc(Oc3ccccc3)ccc2c1=O
Show InChI InChI=1S/C26H26N4O4/c1-32-25-17-19(9-12-24(25)33-16-15-29-13-5-6-14-29)30-26(31)22-11-10-21(18-23(22)27-28-30)34-20-7-3-2-4-8-20/h2-4,7-12,17-18H,5-6,13-16H2,1H3
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79n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4872-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.061
BindingDB Entry DOI: 10.7270/Q29889S7
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50475920
PNG
(CHEMBL438637)
Show SMILES COc1cc(ccc1OCCN(C(C)C)C(C)C)N1C(=O)c2ccc(cc2C1=O)-c1ccccc1
Show InChI InChI=1S/C29H32N2O4/c1-19(2)30(20(3)4)15-16-35-26-14-12-23(18-27(26)34-5)31-28(32)24-13-11-22(17-25(24)29(31)33)21-9-7-6-8-10-21/h6-14,17-20H,15-16H2,1-5H3
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126n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4872-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.061
BindingDB Entry DOI: 10.7270/Q29889S7
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50475937
PNG
(CHEMBL215614)
Show SMILES CC(C)N(CCOc1ccc(NC(=O)c2ccc3-c4ccccc4C(=O)c3c2)cc1)C(C)C
Show InChI InChI=1S/C28H30N2O3/c1-18(2)30(19(3)4)15-16-33-22-12-10-21(11-13-22)29-28(32)20-9-14-24-23-7-5-6-8-25(23)27(31)26(24)17-20/h5-14,17-19H,15-16H2,1-4H3,(H,29,32)
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200n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4872-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.061
BindingDB Entry DOI: 10.7270/Q29889S7
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50475926
PNG
(CHEMBL217610)
Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cnc2ccc(Oc3ccccc3)cc2c1=O
Show InChI InChI=1S/C27H27N3O4/c1-32-26-17-20(9-12-25(26)33-16-15-29-13-5-6-14-29)30-19-28-24-11-10-22(18-23(24)27(30)31)34-21-7-3-2-4-8-21/h2-4,7-12,17-19H,5-6,13-16H2,1H3
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316n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4872-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.061
BindingDB Entry DOI: 10.7270/Q29889S7
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50475921
PNG
(CHEMBL214941)
Show SMILES CC(C)N(CCOc1ccc(cc1)N(C)C(=O)c1ccc-2c(CCc3ccccc-23)c1)C(C)C
Show InChI InChI=1S/C30H36N2O2/c1-21(2)32(22(3)4)18-19-34-27-15-13-26(14-16-27)31(5)30(33)25-12-17-29-24(20-25)11-10-23-8-6-7-9-28(23)29/h6-9,12-17,20-22H,10-11,18-19H2,1-5H3
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316n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4872-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.061
BindingDB Entry DOI: 10.7270/Q29889S7
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50475928
PNG
(CHEMBL377541)
Show SMILES CC(C)N(CCOc1ccc(cc1)N(C)C(=O)c1ccc-2c(Cc3ccccc-23)c1)C(C)C
Show InChI InChI=1S/C29H34N2O2/c1-20(2)31(21(3)4)16-17-33-26-13-11-25(12-14-26)30(5)29(32)23-10-15-28-24(19-23)18-22-8-6-7-9-27(22)28/h6-15,19-21H,16-18H2,1-5H3
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398n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4872-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.061
BindingDB Entry DOI: 10.7270/Q29889S7
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50475935
PNG
(CHEMBL215257)
Show SMILES COc1cc(ccc1OCCN(C(C)C)C(C)C)N1Cc2ccc(cc2C1=O)-c1ccccc1
Show InChI InChI=1S/C29H34N2O3/c1-20(2)30(21(3)4)15-16-34-27-14-13-25(18-28(27)33-5)31-19-24-12-11-23(17-26(24)29(31)32)22-9-7-6-8-10-22/h6-14,17-18,20-21H,15-16,19H2,1-5H3
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398n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4872-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.061
BindingDB Entry DOI: 10.7270/Q29889S7
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50475933
PNG
(CHEMBL387081)
Show SMILES O=C(Nc1ccc(OCCN2CCCC2)cc1)c1ccc-2c(Cc3ccccc-23)c1
Show InChI InChI=1S/C26H26N2O2/c29-26(20-7-12-25-21(18-20)17-19-5-1-2-6-24(19)25)27-22-8-10-23(11-9-22)30-16-15-28-13-3-4-14-28/h1-2,5-12,18H,3-4,13-17H2,(H,27,29)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4872-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.061
BindingDB Entry DOI: 10.7270/Q29889S7
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50475923
PNG
(CHEMBL214123)
Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cnc2sc(cc2c1=O)-c1ccccc1
Show InChI InChI=1S/C25H25N3O3S/c1-30-22-15-19(9-10-21(22)31-14-13-27-11-5-6-12-27)28-17-26-24-20(25(28)29)16-23(32-24)18-7-3-2-4-8-18/h2-4,7-10,15-17H,5-6,11-14H2,1H3
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4872-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.061
BindingDB Entry DOI: 10.7270/Q29889S7
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50475941
PNG
(CHEMBL386753)
Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cnc2ccc(cc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H26ClN3O3/c1-33-26-17-22(9-11-25(26)34-15-14-30-12-2-3-13-30)31-18-29-24-10-6-20(16-23(24)27(31)32)19-4-7-21(28)8-5-19/h4-11,16-18H,2-3,12-15H2,1H3
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1.00E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4872-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.061
BindingDB Entry DOI: 10.7270/Q29889S7
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50475925
PNG
(CHEMBL215075)
Show SMILES O=C(Nc1ccc(OCCN2CCCC2)cc1)c1ccc-2c(CCc3ccccc-23)c1
Show InChI InChI=1S/C27H28N2O2/c30-27(22-9-14-26-21(19-22)8-7-20-5-1-2-6-25(20)26)28-23-10-12-24(13-11-23)31-18-17-29-15-3-4-16-29/h1-2,5-6,9-14,19H,3-4,7-8,15-18H2,(H,28,30)
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1.00E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4872-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.061
BindingDB Entry DOI: 10.7270/Q29889S7
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50475934
PNG
(CHEMBL441696)
Show SMILES CC(C)N(CCOc1ccc(NC(=O)c2ccc3oc4ccccc4c3c2)cc1)C(C)C
Show InChI InChI=1S/C27H30N2O3/c1-18(2)29(19(3)4)15-16-31-22-12-10-21(11-13-22)28-27(30)20-9-14-26-24(17-20)23-7-5-6-8-25(23)32-26/h5-14,17-19H,15-16H2,1-4H3,(H,28,30)
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2.00E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4872-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.061
BindingDB Entry DOI: 10.7270/Q29889S7
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50475940
PNG
(CHEMBL383972)
Show SMILES COc1cc(NC(=O)c2ccc(cc2)C2CCCCC2)ccc1O[C@H]1CCCC[C@@H]1N(C)C
Show InChI InChI=1S/C28H38N2O3/c1-30(2)24-11-7-8-12-25(24)33-26-18-17-23(19-27(26)32-3)29-28(31)22-15-13-21(14-16-22)20-9-5-4-6-10-20/h13-20,24-25H,4-12H2,1-3H3,(H,29,31)/t24-,25-/m0/s1
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2.51E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4872-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.061
BindingDB Entry DOI: 10.7270/Q29889S7
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor 1


(Homo sapiens (Human))
BDBM50475929
PNG
(CHEMBL214504)
Show SMILES O=C(Nc1ccc(OCCN2CCCC2)cc1)c1ccc2oc3ccccc3c2c1
Show InChI InChI=1S/C25H24N2O3/c28-25(18-7-12-24-22(17-18)21-5-1-2-6-23(21)30-24)26-19-8-10-20(11-9-19)29-16-15-27-13-3-4-14-27/h1-2,5-12,17H,3-4,13-16H2,(H,26,28)
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2.51E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells


Bioorg Med Chem Lett 16: 4872-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.061
BindingDB Entry DOI: 10.7270/Q29889S7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50603088
PNG
(CHEMBL5203965)
Show SMILES C[C@H]1C[C@@H](Nc2cccc(Cl)c2)c2cc(ccc2N1C(C)=O)C(N)=O |r|
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01747
BindingDB Entry DOI: 10.7270/Q23B646M
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50603097
PNG
(CHEMBL5195288)
Show SMILES C[C@H]1C[C@@H](Nc2ncc(Cl)cn2)c2cc(ccc2N1C(C)=O)C(N)=O |r|
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01747
BindingDB Entry DOI: 10.7270/Q23B646M
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50603096
PNG
(CHEMBL5194723)
Show SMILES CCNC(=O)c1ccc2N([C@@H](C)C[C@@H](Nc3ncc(Cl)cn3)c2c1)C(C)=O |r|
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01747
BindingDB Entry DOI: 10.7270/Q23B646M
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50603089
PNG
(CHEMBL5194720)
Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cn2)c2cc(ccc2N1C(C)=O)C(N)=O |r|
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01747
BindingDB Entry DOI: 10.7270/Q23B646M
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50603091
PNG
(CHEMBL5180798)
Show SMILES CCNC(=O)c1ccc2N([C@@H](C)C[C@@H](Nc3ccc(Cl)cn3)c2c1)C(C)=O |r|
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01747
BindingDB Entry DOI: 10.7270/Q23B646M
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50603096
PNG
(CHEMBL5194723)
Show SMILES CCNC(=O)c1ccc2N([C@@H](C)C[C@@H](Nc3ncc(Cl)cn3)c2c1)C(C)=O |r|
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01747
BindingDB Entry DOI: 10.7270/Q23B646M
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50603092
PNG
(CHEMBL5190509)
Show SMILES CCNC(=O)c1ccc2N([C@@H](C)C[C@@H](Nc3ccc(cn3)C#N)c2c1)C(C)=O |r|
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01747
BindingDB Entry DOI: 10.7270/Q23B646M
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50603097
PNG
(CHEMBL5195288)
Show SMILES C[C@H]1C[C@@H](Nc2ncc(Cl)cn2)c2cc(ccc2N1C(C)=O)C(N)=O |r|
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01747
BindingDB Entry DOI: 10.7270/Q23B646M
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50603093
PNG
(CHEMBL5186647)
Show SMILES CCNC(=O)c1ccc2N([C@@H](C)C[C@@H](Nc3ccc(C)cn3)c2c1)C(C)=O |r|
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01747
BindingDB Entry DOI: 10.7270/Q23B646M
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50603090
PNG
(CHEMBL5189831)
Show SMILES C[C@H]1C[C@@H](Nc2ccc(C)cn2)c2cc(ccc2N1C(C)=O)C(N)=O |r|
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01747
BindingDB Entry DOI: 10.7270/Q23B646M
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50603094
PNG
(CHEMBL5172388)
Show SMILES CCNC(=O)c1ccc2N([C@@H](C)C[C@@H](Nc3ccc(F)cn3)c2c1)C(C)=O |r|
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01747
BindingDB Entry DOI: 10.7270/Q23B646M
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50603086
PNG
(CHEMBL5176539)
Show SMILES C[C@H]1C[C@@H](Nc2ccc(cn2)C#N)c2cc(ccc2N1C(C)=O)C#N |r|
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01747
BindingDB Entry DOI: 10.7270/Q23B646M
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50603088
PNG
(CHEMBL5203965)
Show SMILES C[C@H]1C[C@@H](Nc2cccc(Cl)c2)c2cc(ccc2N1C(C)=O)C(N)=O |r|
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01747
BindingDB Entry DOI: 10.7270/Q23B646M
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50603092
PNG
(CHEMBL5190509)
Show SMILES CCNC(=O)c1ccc2N([C@@H](C)C[C@@H](Nc3ccc(cn3)C#N)c2c1)C(C)=O |r|
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01747
BindingDB Entry DOI: 10.7270/Q23B646M
More data for this
Ligand-Target Pair
C-C motif chemokine 2


(Homo sapiens (Human))
BDBM50603097
PNG
(CHEMBL5195288)
Show SMILES C[C@H]1C[C@@H](Nc2ncc(Cl)cn2)c2cc(ccc2N1C(C)=O)C(N)=O |r|
PDB
MMDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01747
BindingDB Entry DOI: 10.7270/Q23B646M
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50603089
PNG
(CHEMBL5194720)
Show SMILES C[C@H]1C[C@@H](Nc2ccc(Cl)cn2)c2cc(ccc2N1C(C)=O)C(N)=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01747
BindingDB Entry DOI: 10.7270/Q23B646M
More data for this
Ligand-Target Pair
C-C motif chemokine 2


(Homo sapiens (Human))
BDBM50603092
PNG
(CHEMBL5190509)
Show SMILES CCNC(=O)c1ccc2N([C@@H](C)C[C@@H](Nc3ccc(cn3)C#N)c2c1)C(C)=O |r|
PDB
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01747
BindingDB Entry DOI: 10.7270/Q23B646M
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50441159
PNG
(CHEMBL2430882)
Show SMILES COC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:6|
Show InChI InChI=1S/C21H19ClN4O3/c1-12-24-25-21-17(11-19(27)29-3)23-20(13-4-6-14(22)7-5-13)16-10-15(28-2)8-9-18(16)26(12)21/h4-10,17H,11H2,1-3H3/t17-/m0/s1
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GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged BRD4 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay


J Med Chem 56: 7501-15 (2013)


Article DOI: 10.1021/jm401088k
BindingDB Entry DOI: 10.7270/Q2SX6FN7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50603091
PNG
(CHEMBL5180798)
Show SMILES CCNC(=O)c1ccc2N([C@@H](C)C[C@@H](Nc3ccc(Cl)cn3)c2c1)C(C)=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01747
BindingDB Entry DOI: 10.7270/Q23B646M
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50603080
PNG
(CHEMBL5174030)
Show SMILES C[C@H]1C[C@@H](Nc2ccc(cn2)C#N)c2ccccc2N1C(C)=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01747
BindingDB Entry DOI: 10.7270/Q23B646M
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50603083
PNG
(CHEMBL5171846)
Show SMILES C[C@H]1C[C@@H](Nc2ccc(cn2)C#N)c2cc(F)ccc2N1C(C)=O |r|
PDB

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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01747
BindingDB Entry DOI: 10.7270/Q23B646M
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50441164
PNG
(CHEMBL2430877)
Show SMILES COc1ccc-2c(c1)C(=N[C@@H](CC(=O)Nc1ccccn1)c1nnc(C)n-21)c1ccc(Cl)cc1 |r,c:9|
Show InChI InChI=1S/C25H21ClN6O2/c1-15-30-31-25-20(14-23(33)29-22-5-3-4-12-27-22)28-24(16-6-8-17(26)9-7-16)19-13-18(34-2)10-11-21(19)32(15)25/h3-13,20H,14H2,1-2H3,(H,27,29,33)/t20-/m0/s1
PDB

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n/an/a 398n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged BRD4 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay


J Med Chem 56: 7501-15 (2013)


Article DOI: 10.1021/jm401088k
BindingDB Entry DOI: 10.7270/Q2SX6FN7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50441168
PNG
(CHEMBL2430873)
Show SMILES CCOC(=O)N[C@@H]1N=C(c2ccccc2)c2ccccc2-n2c(C)nnc12 |r,t:7|
Show InChI InChI=1S/C20H19N5O2/c1-3-27-20(26)22-18-19-24-23-13(2)25(19)16-12-8-7-11-15(16)17(21-18)14-9-5-4-6-10-14/h4-12,18H,3H2,1-2H3,(H,22,26)/t18-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 398n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Binding affinity to His6-tagged BRD4 (unknown origin) after 60 mins by fluorescence anisotropy binding Assay


J Med Chem 56: 7501-15 (2013)


Article DOI: 10.1021/jm401088k
BindingDB Entry DOI: 10.7270/Q2SX6FN7
More data for this
Ligand-Target Pair
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