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Compile Data Set for Download or QSAR

Found 916 hits with Last Name = 'müller' 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
GPR24


(RAT)
BDBM50107746
PNG
(CHEMBL3600828)
Show SMILES Clc1ccc(cc1)-c1ccc(nc1)C#Cc1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C25H23ClN2O/c26-23-9-6-21(7-10-23)22-8-12-24(27-19-22)11-3-20-4-13-25(14-5-20)29-18-17-28-15-1-2-16-28/h4-10,12-14,19H,1-2,15-18H2
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4n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Antagonist activity against rat MCHR1


Citation and Details
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM142122
PNG
(US8933079, 149 | US8933079, 150 | US8933079, 9.1)
Show SMILES COc1ccc(COc2cnn(CC(=O)c3ccc(CN(C)C)cc3C)c(=O)c2)nc1
Show InChI InChI=1S/C23H26N4O4/c1-16-9-17(13-26(2)3)5-8-21(16)22(28)14-27-23(29)10-20(12-25-27)31-15-18-6-7-19(30-4)11-24-18/h5-12H,13-15H2,1-4H3
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14n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Binding affinity to human MCH-R1 expressed in CHO/Galpha16 cells


Citation and Details
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50107818
PNG
(CHEMBL3600811)
Show SMILES Fc1cc(ccc1-c1ccc(Cl)cc1)C(=O)NCCc1ccc(CN2CCCC2)cc1
Show InChI InChI=1S/C26H26ClFN2O/c27-23-10-7-21(8-11-23)24-12-9-22(17-25(24)28)26(31)29-14-13-19-3-5-20(6-4-19)18-30-15-1-2-16-30/h3-12,17H,1-2,13-16,18H2,(H,29,31)
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n/an/a 1n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH from human MCHR1 expressed in CHO/Galpha16 cell membranes by scintillation counting method


Citation and Details
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50107817
PNG
(CHEMBL3600810)
Show SMILES Fc1cc(ccc1C(=O)NCCc1ccc(CN2CCCC2)cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H26ClFN2O/c27-23-10-7-21(8-11-23)22-9-12-24(25(28)17-22)26(31)29-14-13-19-3-5-20(6-4-19)18-30-15-1-2-16-30/h3-12,17H,1-2,13-16,18H2,(H,29,31)
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n/an/a 1n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH from human MCHR1 expressed in CHO/Galpha16 cell membranes by scintillation counting method


Citation and Details
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50107733
PNG
(CHEMBL3600801)
Show SMILES Clc1ccc(cc1)-c1ccc(cc1)C(=O)NCCc1ccc(CN2CCCC2)cc1
Show InChI InChI=1S/C26H27ClN2O/c27-25-13-11-23(12-14-25)22-7-9-24(10-8-22)26(30)28-16-15-20-3-5-21(6-4-20)19-29-17-1-2-18-29/h3-14H,1-2,15-19H2,(H,28,30)
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n/an/a 2n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH from human MCHR1 expressed in CHO/Galpha16 cell membranes by scintillation counting method


Citation and Details
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50107764
PNG
(CHEMBL3600807)
Show SMILES Clc1ccc(cc1)-c1ccc(cc1)C(=O)NCCc1ccc(CN2CCCC2)cc1Br
Show InChI InChI=1S/C26H26BrClN2O/c27-25-17-19(18-30-15-1-2-16-30)3-4-22(25)13-14-29-26(31)23-7-5-20(6-8-23)21-9-11-24(28)12-10-21/h3-12,17H,1-2,13-16,18H2,(H,29,31)
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Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH from human MCHR1 expressed in CHO/Galpha16 cell membranes by scintillation counting method


Citation and Details
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50107761
PNG
(CHEMBL3600804)
Show SMILES OCCNCc1ccc(CCNC(=O)c2ccc(cc2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C24H25ClN2O2/c25-23-11-9-21(10-12-23)20-5-7-22(8-6-20)24(29)27-14-13-18-1-3-19(4-2-18)17-26-15-16-28/h1-12,26,28H,13-17H2,(H,27,29)
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n/an/a 2n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH from human MCHR1 expressed in CHO/Galpha16 cell membranes by scintillation counting method


Citation and Details
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50107760
PNG
(CHEMBL3600803)
Show SMILES Clc1ccc(cc1)-c1ccc(cc1)C(=O)NCCc1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C27H29ClN2O/c28-26-14-12-24(13-15-26)23-8-10-25(11-9-23)27(31)29-17-16-21-4-6-22(7-5-21)20-30-18-2-1-3-19-30/h4-15H,1-3,16-20H2,(H,29,31)
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Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH from human MCHR1 expressed in CHO/Galpha16 cell membranes by scintillation counting method


Citation and Details
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50106487
PNG
(CHEMBL3600970)
Show SMILES Clc1ccc(cc1)-c1ccc(CCCNc2ccc(CN3CCCCC3)cc2)cc1
Show InChI InChI=1S/C27H31ClN2/c28-26-14-12-25(13-15-26)24-10-6-22(7-11-24)5-4-18-29-27-16-8-23(9-17-27)21-30-19-2-1-3-20-30/h6-17,29H,1-5,18-21H2
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n/an/a 3n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Displacement of [125I-MCH] from human MCH receptor 1 expressed in CHO cell membranes by scintillation counting method


Citation and Details
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50106579
PNG
(CHEMBL3601036)
Show SMILES OC1CCN(Cc2ccc(NCCCc3ccc(OCc4ccccc4)nn3)cc2)CC1
Show InChI InChI=1S/C26H32N4O2/c31-25-14-17-30(18-15-25)19-21-8-10-23(11-9-21)27-16-4-7-24-12-13-26(29-28-24)32-20-22-5-2-1-3-6-22/h1-3,5-6,8-13,25,27,31H,4,7,14-20H2
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n/an/a 3n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Displacement of [125I-MCH] from human MCH receptor 1 expressed in CHO cell membranes by scintillation counting method


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM50444549
PNG
(CHEMBL3099695)
Show SMILES Fc1cc(ccc1[C@H]1CCc2cncn12)C#N
Show InChI InChI=1S/C13H10FN3/c14-12-5-9(6-15)1-3-11(12)13-4-2-10-7-16-8-17(10)13/h1,3,5,7-8,13H,2,4H2/t13-/m1/s1
PDB

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n/an/a 3n/an/an/an/an/an/a



Roche Pharma Research and Early Development (pRED)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in renal leiomyoblastoma cells


Citation and Details
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50107735
PNG
(CHEMBL3600815)
Show SMILES CC(=O)NC1CCN(Cc2ccc(CCNC(=O)c3ccc(cc3)-c3ccc(F)cc3)cc2)CC1
Show InChI InChI=1S/C29H32FN3O2/c1-21(34)32-28-15-18-33(19-16-28)20-23-4-2-22(3-5-23)14-17-31-29(35)26-8-6-24(7-9-26)25-10-12-27(30)13-11-25/h2-13,28H,14-20H2,1H3,(H,31,35)(H,32,34)
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Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH from human MCHR1 expressed in CHO/Galpha16 cell membranes by scintillation counting method


Citation and Details
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50107820
PNG
(CHEMBL3600812)
Show SMILES Fc1ccc(cc1)-c1ccc(cc1)C(=O)NCCc1ccc(CN2CCCC2)cc1
Show InChI InChI=1S/C26H27FN2O/c27-25-13-11-23(12-14-25)22-7-9-24(10-8-22)26(30)28-16-15-20-3-5-21(6-4-20)19-29-17-1-2-18-29/h3-14H,1-2,15-19H2,(H,28,30)
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Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH from human MCHR1 expressed in CHO/Galpha16 cell membranes by scintillation counting method


Citation and Details
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50106522
PNG
(CHEMBL3600978)
Show SMILES Clc1ccc(cc1)-c1ccc(CCCNc2ccc(CN3CCCCC3)cc2)nn1
Show InChI InChI=1S/C25H29ClN4/c26-22-10-8-21(9-11-22)25-15-14-24(28-29-25)5-4-16-27-23-12-6-20(7-13-23)19-30-17-2-1-3-18-30/h6-15,27H,1-5,16-19H2
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n/an/a 4n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Displacement of [125I-MCH] from human MCH receptor 1 expressed in CHO cell membranes by scintillation counting method


Citation and Details
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50107751
PNG
(CHEMBL3601023)
Show SMILES Cc1cc(ccc1OCCN1CCC[C@H]1CO)C#Cc1ccc(cn1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H27ClN2O2/c1-20-17-21(5-13-27(20)32-16-15-30-14-2-3-26(30)19-31)4-11-25-12-8-23(18-29-25)22-6-9-24(28)10-7-22/h5-10,12-13,17-18,26,31H,2-3,14-16,19H2,1H3/t26-/m0/s1
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Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH from human MCHR1 expressed in CHO/Galpha16 cell membranes by scintillation counting method


Citation and Details
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50107749
PNG
(CHEMBL3601021)
Show SMILES CC1CCN(CCOc2ccc(cc2)C#Cc2ncc(cc2F)-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C27H26ClFN2O/c1-20-12-14-31(15-13-20)16-17-32-25-9-2-21(3-10-25)4-11-27-26(29)18-23(19-30-27)22-5-7-24(28)8-6-22/h2-3,5-10,18-20H,12-17H2,1H3
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Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH from human MCHR1 expressed in CHO/Galpha16 cell membranes by scintillation counting method


Citation and Details
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50106583
PNG
(CHEMBL3601040)
Show SMILES OCC1CCN(Cc2ccc(OCCCc3ccc(nn3)-c3ccc(Cl)cc3)cc2)CC1
Show InChI InChI=1S/C26H30ClN3O2/c27-23-7-5-22(6-8-23)26-12-9-24(28-29-26)2-1-17-32-25-10-3-20(4-11-25)18-30-15-13-21(19-31)14-16-30/h3-12,21,31H,1-2,13-19H2
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Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Displacement of [125I-MCH] from human MCH receptor 1 expressed in CHO cell membranes by scintillation counting method


Citation and Details
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50107754
PNG
(CHEMBL3601017)
Show SMILES Clc1ccc(cc1)-c1ccc(nc1)C#Cc1ccc(OCCN2CCCC2)c(Cl)c1
Show InChI InChI=1S/C25H22Cl2N2O/c26-22-8-5-20(6-9-22)21-7-11-23(28-18-21)10-3-19-4-12-25(24(27)17-19)30-16-15-29-13-1-2-14-29/h4-9,11-12,17-18H,1-2,13-16H2
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Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH from human MCHR1 expressed in CHO/Galpha16 cell membranes by scintillation counting method


Citation and Details
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50107835
PNG
(CHEMBL3601011)
Show SMILES Clc1ccc(cc1)-c1ccc(nc1)C#Cc1ccc(NCCN2CCCC2)cc1
Show InChI InChI=1S/C25H24ClN3/c26-23-9-6-21(7-10-23)22-8-14-25(28-19-22)13-5-20-3-11-24(12-4-20)27-15-18-29-16-1-2-17-29/h3-4,6-12,14,19,27H,1-2,15-18H2
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Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH from human MCHR1 expressed in CHO/Galpha16 cell membranes by scintillation counting method


Citation and Details
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50107747
PNG
(CHEMBL3600830)
Show SMILES CC1CCN(CCOc2ccc(cc2)C#Cc2ccc(cn2)-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C27H27ClN2O/c1-21-14-16-30(17-15-21)18-19-31-27-12-3-22(4-13-27)2-10-26-11-7-24(20-29-26)23-5-8-25(28)9-6-23/h3-9,11-13,20-21H,14-19H2,1H3
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Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH from human MCHR1 expressed in CHO/Galpha16 cell membranes by scintillation counting method


Citation and Details
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50107737
PNG
(CHEMBL3600817)
Show SMILES CC(=O)CNC1CCN(Cc2ccc(CCNC(=O)c3ccc(cc3)-c3ccc(F)cc3)cc2)CC1
Show InChI InChI=1S/C30H34FN3O2/c1-22(35)20-33-29-15-18-34(19-16-29)21-24-4-2-23(3-5-24)14-17-32-30(36)27-8-6-25(7-9-27)26-10-12-28(31)13-11-26/h2-13,29,33H,14-21H2,1H3,(H,32,36)
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Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH from human MCHR1 expressed in CHO/Galpha16 cell membranes by scintillation counting method


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B (KDM5Flag-5B-FL)


(Homo sapiens (Human))
BDBM191598
PNG
(2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...)
Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(O)=O
Show InChI InChI=1S/C15H24N4O3/c1-4-19(8-7-18(2)3)14(20)11-16-10-13-9-12(15(21)22)5-6-17-13/h5-6,9,16H,4,7-8,10-11H2,1-3H3,(H,21,22)
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n/an/a 6n/an/an/an/an/an/a



University of Oxford





Cell Chem Biol 24: 371-380 (2017)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50106529
PNG
(CHEMBL3601033)
Show SMILES COc1ccc(cc1)-c1ccc(CCCNc2ccc(CN3CCCC(O)C3)cc2)nn1
Show InChI InChI=1S/C26H32N4O2/c1-32-25-13-8-21(9-14-25)26-15-12-23(28-29-26)4-2-16-27-22-10-6-20(7-11-22)18-30-17-3-5-24(31)19-30/h6-15,24,27,31H,2-5,16-19H2,1H3
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Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Displacement of [125I-MCH] from human MCH receptor 1 expressed in CHO cell membranes by scintillation counting method


Citation and Details
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50107763
PNG
(CHEMBL3600806)
Show SMILES COc1cc(CCNC(=O)c2ccc(cc2)-c2ccc(Cl)cc2)ccc1CN1CCCC1
Show InChI InChI=1S/C27H29ClN2O2/c1-32-26-18-20(4-5-24(26)19-30-16-2-3-17-30)14-15-29-27(31)23-8-6-21(7-9-23)22-10-12-25(28)13-11-22/h4-13,18H,2-3,14-17,19H2,1H3,(H,29,31)
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n/an/a 6n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH from human MCHR1 expressed in CHO/Galpha16 cell membranes by scintillation counting method


Citation and Details
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50107837
PNG
(CHEMBL3601013)
Show SMILES Clc1ccc(cc1)-c1ccc(nc1)C#Cc1ccc(OCCN2CCCC2)nc1
Show InChI InChI=1S/C24H22ClN3O/c25-22-8-5-20(6-9-22)21-7-11-23(26-18-21)10-3-19-4-12-24(27-17-19)29-16-15-28-13-1-2-14-28/h4-9,11-12,17-18H,1-2,13-16H2
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Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH from human MCHR1 expressed in CHO/Galpha16 cell membranes by scintillation counting method


Citation and Details
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50107831
PNG
(CHEMBL3600829)
Show SMILES Brc1ccc(cc1)-c1ccc(nc1)C#Cc1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C25H23BrN2O/c26-23-9-6-21(7-10-23)22-8-12-24(27-19-22)11-3-20-4-13-25(14-5-20)29-18-17-28-15-1-2-16-28/h4-10,12-14,19H,1-2,15-18H2
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n/an/a 6n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH from human MCHR1 expressed in CHO/Galpha16 cell membranes by scintillation counting method


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM8611
PNG
(4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonit...)
Show SMILES N#Cc1ccc(cc1)C1CCCc2cncn12
Show InChI InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2
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n/an/a 6n/an/an/an/an/an/a



Roche Pharma Research and Early Development (pRED)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in renal leiomyoblastoma cells


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50107832
PNG
(CHEMBL3601009)
Show SMILES OC1(CCN(CCOc2ccc(cc2)C#Cc2ccc(cn2)-c2ccc(Cl)cc2)CC1)C(F)(F)F
Show InChI InChI=1S/C27H24ClF3N2O2/c28-23-7-4-21(5-8-23)22-6-10-24(32-19-22)9-1-20-2-11-25(12-3-20)35-18-17-33-15-13-26(34,14-16-33)27(29,30)31/h2-8,10-12,19,34H,13-18H2
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Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH from human MCHR1 expressed in CHO/Galpha16 cell membranes by scintillation counting method


Citation and Details
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50107734
PNG
(CHEMBL3600814)
Show SMILES CC(=O)N1CCN(Cc2ccc(CCNC(=O)c3ccc(cc3)-c3ccc(Cl)cc3)cc2)CC1
Show InChI InChI=1S/C28H30ClN3O2/c1-21(33)32-18-16-31(17-19-32)20-23-4-2-22(3-5-23)14-15-30-28(34)26-8-6-24(7-9-26)25-10-12-27(29)13-11-25/h2-13H,14-20H2,1H3,(H,30,34)
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Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH from human MCHR1 expressed in CHO/Galpha16 cell membranes by scintillation counting method


Citation and Details
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50106520
PNG
(CHEMBL3600980)
Show SMILES COc1ccc(cc1)-c1ccc(CCCNc2ccc(CN3CCCCC3)cc2)nn1
Show InChI InChI=1S/C26H32N4O/c1-31-25-14-9-22(10-15-25)26-16-13-24(28-29-26)6-5-17-27-23-11-7-21(8-12-23)20-30-18-3-2-4-19-30/h7-16,27H,2-6,17-20H2,1H3
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n/an/a 7n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Displacement of [125I-MCH] from human MCH receptor 1 expressed in CHO cell membranes by scintillation counting method


Citation and Details
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50107746
PNG
(CHEMBL3600828)
Show SMILES Clc1ccc(cc1)-c1ccc(nc1)C#Cc1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C25H23ClN2O/c26-23-9-6-21(7-10-23)22-8-12-24(27-19-22)11-3-20-4-13-25(14-5-20)29-18-17-28-15-1-2-16-28/h4-10,12-14,19H,1-2,15-18H2
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Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH from human MCHR1 expressed in CHO/Galpha16 cell membranes by scintillation counting method


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B (KDM5Flag-5B-FL)


(Homo sapiens (Human))
BDBM50153099
PNG
(CHEMBL3775814)
Show SMILES O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC(CC2)c2ccc(cc2)C#N)cn1
Show InChI InChI=1S/C24H23N7O/c25-13-17-1-3-19(4-2-17)20-7-11-30(12-8-20)10-6-18-14-29-31(15-18)23-22-21(5-9-26-23)24(32)28-16-27-22/h1-5,9,14-16,20H,6-8,10-12H2,(H,27,28,32)
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The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


Citation and Details
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50107339
PNG
(CHEMBL3601294)
Show SMILES CN(C)Cc1ccc(CCn2ccc(OCc3ccccc3)cc2=O)cc1
Show InChI InChI=1S/C23H26N2O2/c1-24(2)17-20-10-8-19(9-11-20)12-14-25-15-13-22(16-23(25)26)27-18-21-6-4-3-5-7-21/h3-11,13,15-16H,12,14,17-18H2,1-2H3
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Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH from human MCH-R1 expressed in CHO/Galpha16 cells after 60 mins by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B (KDM5Flag-5B-FL)


(Homo sapiens (Human))
BDBM191598
PNG
(2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...)
Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(O)=O
Show InChI InChI=1S/C15H24N4O3/c1-4-19(8-7-18(2)3)14(20)11-16-10-13-9-12(15(21)22)5-6-17-13/h5-6,9,16H,4,7-8,10-11H2,1-3H3,(H,21,22)
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n/an/a 7n/an/an/an/an/an/a



University of Oxford





Cell Chem Biol 24: 371-380 (2017)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50107750
PNG
(CHEMBL3601022)
Show SMILES OC[C@H]1CCCN1CCOc1ccc(cc1)C#Cc1ccc(cn1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H25ClN2O2/c27-23-9-6-21(7-10-23)22-8-12-24(28-18-22)11-3-20-4-13-26(14-5-20)31-17-16-29-15-1-2-25(29)19-30/h4-10,12-14,18,25,30H,1-2,15-17,19H2/t25-/m1/s1
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Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH from human MCHR1 expressed in CHO/Galpha16 cell membranes by scintillation counting method


Citation and Details
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50107762
PNG
(CHEMBL3600805)
Show SMILES CCN(CC(=O)N(C)C)Cc1ccc(CCNC(=O)c2ccc(cc2)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C28H32ClN3O2/c1-4-32(20-27(33)31(2)3)19-22-7-5-21(6-8-22)17-18-30-28(34)25-11-9-23(10-12-25)24-13-15-26(29)16-14-24/h5-16H,4,17-20H2,1-3H3,(H,30,34)
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Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH from human MCHR1 expressed in CHO/Galpha16 cell membranes by scintillation counting method


Citation and Details
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50107748
PNG
(CHEMBL3600831)
Show SMILES NC(=O)C1CCN(CCOc2ccc(cc2)C#Cc2ccc(cn2)-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C27H26ClN3O2/c28-24-7-4-21(5-8-24)23-6-10-25(30-19-23)9-1-20-2-11-26(12-3-20)33-18-17-31-15-13-22(14-16-31)27(29)32/h2-8,10-12,19,22H,13-18H2,(H2,29,32)
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Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH from human MCHR1 expressed in CHO/Galpha16 cell membranes by scintillation counting method


Citation and Details
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50107816
PNG
(CHEMBL3600809)
Show SMILES CN(CCc1ccc(CN2CCCC2)cc1)C(=O)c1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H29ClN2O/c1-29(19-16-21-4-6-22(7-5-21)20-30-17-2-3-18-30)27(31)25-10-8-23(9-11-25)24-12-14-26(28)15-13-24/h4-15H,2-3,16-20H2,1H3
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Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH from human MCHR1 expressed in CHO/Galpha16 cell membranes by scintillation counting method


Citation and Details
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM142183
PNG
(US8933079, 5.2)
Show SMILES CN(C)Cc1ccc(C(=O)Cn2ncc(OCc3ccccc3)cc2=O)c(C)c1
Show InChI InChI=1S/C23H25N3O3/c1-17-11-19(14-25(2)3)9-10-21(17)22(27)15-26-23(28)12-20(13-24-26)29-16-18-7-5-4-6-8-18/h4-13H,14-16H2,1-3H3
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Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH from human MCH-R1 expressed in CHO/Galpha16 cells after 60 mins by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50106523
PNG
(CHEMBL3601038)
Show SMILES CC(=O)NC1CCN(Cc2ccc(NCCCc3ccc(Oc4ccccc4)nn3)cc2)CC1
Show InChI InChI=1S/C27H33N5O2/c1-21(33)29-24-15-18-32(19-16-24)20-22-9-11-23(12-10-22)28-17-5-6-25-13-14-27(31-30-25)34-26-7-3-2-4-8-26/h2-4,7-14,24,28H,5-6,15-20H2,1H3,(H,29,33)
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Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Displacement of [125I-MCH] from human MCH receptor 1 expressed in CHO cell membranes by scintillation counting method


Citation and Details
More data for this
Ligand-Target Pair
Bromodomain-containing protein 9


(Homo sapiens)
BDBM50183567
PNG
(CHEMBL3823177)
Show SMILES COc1cc(cc(OC)c1CN1CC(N)C1)-c1cc(C)c(=O)n(C)c1
Show InChI InChI=1S/C19H25N3O3/c1-12-5-14(8-21(2)19(12)23)13-6-17(24-3)16(18(7-13)25-4)11-22-9-15(20)10-22/h5-8,15H,9-11,20H2,1-4H3
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Boehringer Ingelheim RCV GmbH& Co KG

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged BRD9 isoform 1 expressed in Escherichia coli using tetra-acetylated histone H4 measured after 60 mins by Al...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 11B2


(Homo sapiens (human))
BDBM50125049
PNG
(CHEMBL3623830)
Show SMILES CCC(=O)N[C@@H]1CCCc2c1cncc2-c1ccc(cc1)C#N
Show InChI InChI=1S/C19H19N3O/c1-2-19(23)22-18-5-3-4-15-16(11-21-12-17(15)18)14-8-6-13(10-20)7-9-14/h6-9,11-12,18H,2-5H2,1H3,(H,22,23)/t18-/m1/s1
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Roche Pharma Research and Early Development (pRED)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells using 11-deoxycorticosterone as substrate assessed as formation of aldoste...


Citation and Details
More data for this
Ligand-Target Pair
Histone demethylase JARID1A


(Homo sapiens (Human))
BDBM191598
PNG
(2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-ox...)
Show SMILES CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(O)=O
Show InChI InChI=1S/C15H24N4O3/c1-4-19(8-7-18(2)3)14(20)11-16-10-13-9-12(15(21)22)5-6-17-13/h5-6,9,16H,4,7-8,10-11H2,1-3H3,(H,21,22)
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n/an/a 10n/an/an/an/an/an/a



University of Oxford





Cell Chem Biol 24: 371-380 (2017)

More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50106489
PNG
(CHEMBL3600971)
Show SMILES Clc1ccc(cc1)-c1ccc(cc1)C#CC(=O)Nc1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C27H25ClN2O/c28-25-13-11-24(12-14-25)23-9-4-21(5-10-23)8-17-27(31)29-26-15-6-22(7-16-26)20-30-18-2-1-3-19-30/h4-7,9-16H,1-3,18-20H2,(H,29,31)
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Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Displacement of [125I-MCH] from human MCH receptor 1 expressed in CHO cell membranes by scintillation counting method


Citation and Details
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50106544
PNG
(CHEMBL3601035)
Show SMILES COc1ccc(cc1)-c1ccc(CCCNc2ccc(CN3CCC(CC3)NC(C)=O)cc2)nn1
Show InChI InChI=1S/C28H35N5O2/c1-21(34)30-25-15-18-33(19-16-25)20-22-5-9-24(10-6-22)29-17-3-4-26-11-14-28(32-31-26)23-7-12-27(35-2)13-8-23/h5-14,25,29H,3-4,15-20H2,1-2H3,(H,30,34)
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Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Displacement of [125I-MCH] from human MCH receptor 1 expressed in CHO cell membranes by scintillation counting method


Citation and Details
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50107821
PNG
(CHEMBL3600813)
Show SMILES Clc1ccc(c(Cl)c1)-c1ccc(cc1)C(=O)NCCc1ccc(CN2CCCC2)cc1
Show InChI InChI=1S/C26H26Cl2N2O/c27-23-11-12-24(25(28)17-23)21-7-9-22(10-8-21)26(31)29-14-13-19-3-5-20(6-4-19)18-30-15-1-2-16-30/h3-12,17H,1-2,13-16,18H2,(H,29,31)
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n/an/a 10n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH from human MCHR1 expressed in CHO/Galpha16 cell membranes by scintillation counting method


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Ligand-Target Pair
Lysine-specific demethylase 5B (KDM5Flag-5B-FL)


(Homo sapiens (Human))
BDBM50153101
PNG
(CHEMBL3774665)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1
Show InChI InChI=1S/C24H26N6O3S/c1-34(32,33)20-4-2-18(3-5-20)19-8-12-29(13-9-19)11-7-17-14-28-30(15-17)23-22-21(6-10-25-23)24(31)27-16-26-22/h2-6,10,14-16,19H,7-9,11-13H2,1H3,(H,26,27,31)
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PubMed
n/an/a 10n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


Citation and Details
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50106603
PNG
(CHEMBL3601047)
Show SMILES CC(=O)NC1CCN(Cc2ccc(OCCCc3ccc(Oc4ccccc4)nn3)cc2)CC1
Show InChI InChI=1S/C27H32N4O3/c1-21(32)28-23-15-17-31(18-16-23)20-22-9-12-25(13-10-22)33-19-5-6-24-11-14-27(30-29-24)34-26-7-3-2-4-8-26/h2-4,7-14,23H,5-6,15-20H2,1H3,(H,28,32)
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n/an/a 10n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Displacement of [125I-MCH] from human MCH receptor 1 expressed in CHO cell membranes by scintillation counting method


Citation and Details
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50107335
PNG
(CHEMBL3601303)
Show SMILES CN(C)Cc1ccc(cc1)C(=O)Cn1ncc(OCc2ccccc2)cc1=O
Show InChI InChI=1S/C22H23N3O3/c1-24(2)14-17-8-10-19(11-9-17)21(26)15-25-22(27)12-20(13-23-25)28-16-18-6-4-3-5-7-18/h3-13H,14-16H2,1-2H3
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n/an/a 10n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH from human MCH-R1 expressed in CHO/Galpha16 cells after 60 mins by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50107833
PNG
(CHEMBL3600392)
Show SMILES CN1CCN(CCOc2ccc(cc2)C#Cc2ccc(cn2)-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C26H26ClN3O/c1-29-14-16-30(17-15-29)18-19-31-26-12-3-21(4-13-26)2-10-25-11-7-23(20-28-25)22-5-8-24(27)9-6-22/h3-9,11-13,20H,14-19H2,1H3
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n/an/a 10n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Displacement of [125I]-MCH from human MCHR1 expressed in CHO/Galpha16 cell membranes by scintillation counting method


Citation and Details
More data for this
Ligand-Target Pair
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