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Compile Data Set for Download or QSAR

Found 555 hits with Last Name = 'azzara' and Initial = 'av'   
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)
BDBM50120625
PNG
(CHEMBL3618330)
Show SMILES CNC1CCN(C1)c1ccc(cn1)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1/C22H21ClN6O/c1-24-18-8-9-27(13-18)21-7-6-19(11-25-21)28-14-26-29-12-16(10-20(29)22(28)30)15-2-4-17(23)5-3-15/h2-7,10-12,14,18,24H,8-9,13H2,1H3
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0.300n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13,Tyr19]-MCH from rat MCHR1 by scintillation counting analysis


Bioorg Med Chem Lett 25: 4412-8 (2015)


BindingDB Entry DOI: 10.7270/Q2JD4ZMW
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50241083
PNG
(6-(4-chlorophenyl)-3-(3-methoxy-4-(2-(pyrrolidin-1...)
Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H24ClN3O3S/c1-31-22-14-19(8-9-21(22)32-13-12-28-10-2-3-11-28)29-16-27-20-15-23(33-24(20)25(29)30)17-4-6-18(26)7-5-17/h4-9,14-16H,2-3,10-13H2,1H3
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0.340n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at rat MCHR1


Bioorg Med Chem Lett 25: 2793-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.008
BindingDB Entry DOI: 10.7270/Q29C7053
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50120624
PNG
(CHEMBL3618324)
Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H25ClN4O3/c1-32-24-15-21(8-9-23(24)33-13-12-28-10-2-3-11-28)29-17-27-30-16-19(14-22(30)25(29)31)18-4-6-20(26)7-5-18/h4-9,14-17H,2-3,10-13H2,1H3
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0.400n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13,Tyr19]-MCH from rat MCHR1 by scintillation counting analysis


Bioorg Med Chem Lett 25: 4412-8 (2015)


BindingDB Entry DOI: 10.7270/Q2JD4ZMW
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50120625
PNG
(CHEMBL3618330)
Show SMILES CNC1CCN(C1)c1ccc(cn1)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1/C22H21ClN6O/c1-24-18-8-9-27(13-18)21-7-6-19(11-25-21)28-14-26-29-12-16(10-20(29)22(28)30)15-2-4-17(23)5-3-15/h2-7,10-12,14,18,24H,8-9,13H2,1H3
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0.400n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13,Tyr19]-MCH from human MCHR1 expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem Lett 25: 4412-8 (2015)


BindingDB Entry DOI: 10.7270/Q2JD4ZMW
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50120624
PNG
(CHEMBL3618324)
Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H25ClN4O3/c1-32-24-15-21(8-9-23(24)33-13-12-28-10-2-3-11-28)29-17-27-30-16-19(14-22(30)25(29)31)18-4-6-20(26)7-5-18/h4-9,14-17H,2-3,10-13H2,1H3
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0.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13,Tyr19]-MCH from human MCHR1 expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem Lett 25: 4412-8 (2015)


BindingDB Entry DOI: 10.7270/Q2JD4ZMW
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50120635
PNG
(CHEMBL3618325)
Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cnn2nc(cc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H24ClN5O3/c1-32-23-14-19(8-9-22(23)33-13-12-28-10-2-3-11-28)29-16-26-30-21(24(29)31)15-20(27-30)17-4-6-18(25)7-5-17/h4-9,14-16H,2-3,10-13H2,1H3
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0.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13,Tyr19]-MCH from rat MCHR1 by scintillation counting analysis


Bioorg Med Chem Lett 25: 4412-8 (2015)


BindingDB Entry DOI: 10.7270/Q2JD4ZMW
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50120635
PNG
(CHEMBL3618325)
Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cnn2nc(cc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H24ClN5O3/c1-32-23-14-19(8-9-22(23)33-13-12-28-10-2-3-11-28)29-16-26-30-21(24(29)31)15-20(27-30)17-4-6-18(25)7-5-17/h4-9,14-16H,2-3,10-13H2,1H3
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0.700n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13,Tyr19]-MCH from human MCHR1 expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem Lett 25: 4412-8 (2015)


BindingDB Entry DOI: 10.7270/Q2JD4ZMW
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50094880
PNG
(CHEMBL3589145)
Show SMILES CN[C@H]1CCN(C1)c1ccc(cn1)N1Cc2cn(nc2C1=O)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1/C21H21ClN6O/c1-23-16-8-9-26(13-16)19-7-6-18(10-24-19)27-11-14-12-28(25-20(14)21(27)29)17-4-2-15(22)3-5-17/h2-7,10,12,16,23H,8-9,11,13H2,1H3/t16-/s2
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0.800n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at rat MCHR1


Bioorg Med Chem Lett 25: 2793-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.008
BindingDB Entry DOI: 10.7270/Q29C7053
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50120628
PNG
(CHEMBL3618334)
Show SMILES OC1CN(C1)C1CCN(C1)c1ccc(cn1)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1/C24H23ClN6O2/c25-18-3-1-16(2-4-18)17-9-22-24(33)30(15-27-31(22)11-17)19-5-6-23(26-10-19)28-8-7-20(12-28)29-13-21(32)14-29/h1-6,9-11,15,20-21,32H,7-8,12-14H2
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0.800n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13,Tyr19]-MCH from human MCHR1 expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem Lett 25: 4412-8 (2015)


BindingDB Entry DOI: 10.7270/Q2JD4ZMW
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50120628
PNG
(CHEMBL3618334)
Show SMILES OC1CN(C1)C1CCN(C1)c1ccc(cn1)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1/C24H23ClN6O2/c25-18-3-1-16(2-4-18)17-9-22-24(33)30(15-27-31(22)11-17)19-5-6-23(26-10-19)28-8-7-20(12-28)29-13-21(32)14-29/h1-6,9-11,15,20-21,32H,7-8,12-14H2
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1.40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13,Tyr19]-MCH from rat MCHR1 by scintillation counting analysis


Bioorg Med Chem Lett 25: 4412-8 (2015)


BindingDB Entry DOI: 10.7270/Q2JD4ZMW
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50120796
PNG
(CHEMBL3618363)
Show SMILES COc1cc(ccc1OCC(C)O)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1/C22H20ClN3O4/c1-14(27)12-30-20-8-7-18(10-21(20)29-2)25-13-24-26-11-16(9-19(26)22(25)28)15-3-5-17(23)6-4-15/h3-11,13-14,27H,12H2,1-2H3
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1.40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13,Tyr19]-MCH from rat MCHR1 by scintillation counting analysis


Bioorg Med Chem Lett 25: 4412-8 (2015)


BindingDB Entry DOI: 10.7270/Q2JD4ZMW
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50011322
PNG
(CHEMBL3260745)
Show SMILES CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccc(cc3)C#N)c(=O)n(Cc3ccc(nc3C)C(F)(F)F)n2c1=O
Show InChI InChI=1S/C28H20ClF3N6O2/c1-3-36-27(40)38-25(35-36)23(18-8-11-21(29)12-9-18)24(19-6-4-17(14-33)5-7-19)26(39)37(38)15-20-10-13-22(28(30,31)32)34-16(20)2/h4-13H,3,15H2,1-2H3
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1.40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis


J Med Chem 56: 9586-600 (2014)


Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50120676
PNG
(CHEMBL3618340)
Show SMILES CCS(=O)(=O)C[C@@H](O)COc1ccc(cc1OC)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1/C24H24ClN3O6S/c1-3-35(31,32)14-20(29)13-34-22-9-8-19(11-23(22)33-2)27-15-26-28-12-17(10-21(28)24(27)30)16-4-6-18(25)7-5-16/h4-12,15,20,29H,3,13-14H2,1-2H3/t20-/s2
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1.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13,Tyr19]-MCH from rat MCHR1 by scintillation counting analysis


Bioorg Med Chem Lett 25: 4412-8 (2015)


BindingDB Entry DOI: 10.7270/Q2JD4ZMW
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50011324
PNG
(CHEMBL3260747)
Show SMILES CCc1nc(ccc1Cn1n2c(nn(CC)c2=O)c(-c2ccc(Cl)cc2)c(-c2ccc(cc2)C#N)c1=O)C(F)(F)F
Show InChI InChI=1S/C29H22ClF3N6O2/c1-3-22-20(11-14-23(35-22)29(31,32)33)16-38-27(40)25(19-7-5-17(15-34)6-8-19)24(18-9-12-21(30)13-10-18)26-36-37(4-2)28(41)39(26)38/h5-14H,3-4,16H2,1-2H3
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1.60n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis


J Med Chem 56: 9586-600 (2014)


Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50011328
PNG
(CHEMBL3259829)
Show SMILES CCCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccc(cc3)C#N)c(=O)n(Cc3ccc(nc3C)C(F)(F)F)n2c1=O
Show InChI InChI=1S/C29H22ClF3N6O2/c1-3-14-37-28(41)39-26(36-37)24(19-8-11-22(30)12-9-19)25(20-6-4-18(15-34)5-7-20)27(40)38(39)16-21-10-13-23(29(31,32)33)35-17(21)2/h4-13H,3,14,16H2,1-2H3
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1.70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis


J Med Chem 56: 9586-600 (2014)


Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50120629
PNG
(CHEMBL3618336)
Show SMILES COc1cc(ccc1OCC(C)(C)O)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H22ClN3O4/c1-23(2,29)13-31-20-9-8-18(11-21(20)30-3)26-14-25-27-12-16(10-19(27)22(26)28)15-4-6-17(24)7-5-15/h4-12,14,29H,13H2,1-3H3
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1.80n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13,Tyr19]-MCH from rat MCHR1 by scintillation counting analysis


Bioorg Med Chem Lett 25: 4412-8 (2015)


BindingDB Entry DOI: 10.7270/Q2JD4ZMW
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50011326
PNG
(CHEMBL3260748)
Show SMILES CC(C)n1nc2c(-c3ccc(Cl)cc3)c(-c3ccc(cc3)C#N)c(=O)n(Cc3ccc(nc3C)C(F)(F)F)n2c1=O
Show InChI InChI=1S/C29H22ClF3N6O2/c1-16(2)38-28(41)39-26(36-38)24(19-8-11-22(30)12-9-19)25(20-6-4-18(14-34)5-7-20)27(40)37(39)15-21-10-13-23(29(31,32)33)35-17(21)3/h4-13,16H,15H2,1-3H3
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1.90n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis


J Med Chem 56: 9586-600 (2014)


Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50120670
PNG
(CHEMBL3618338)
Show SMILES COc1cc(ccc1N1C[C@H](O)[C@H](O)C1)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1/C23H21ClN4O4/c1-32-22-9-17(6-7-18(22)26-11-20(29)21(30)12-26)27-13-25-28-10-15(8-19(28)23(27)31)14-2-4-16(24)5-3-14/h2-10,13,20-21,29-30H,11-12H2,1H3/t20-,21+
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2.30n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13,Tyr19]-MCH from rat MCHR1 by scintillation counting analysis


Bioorg Med Chem Lett 25: 4412-8 (2015)


BindingDB Entry DOI: 10.7270/Q2JD4ZMW
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50120629
PNG
(CHEMBL3618336)
Show SMILES COc1cc(ccc1OCC(C)(C)O)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H22ClN3O4/c1-23(2,29)13-31-20-9-8-18(11-21(20)30-3)26-14-25-27-12-16(10-19(27)22(26)28)15-4-6-17(24)7-5-15/h4-12,14,29H,13H2,1-3H3
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2.30n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13,Tyr19]-MCH from human MCHR1 expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem Lett 25: 4412-8 (2015)


BindingDB Entry DOI: 10.7270/Q2JD4ZMW
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50120676
PNG
(CHEMBL3618340)
Show SMILES CCS(=O)(=O)C[C@@H](O)COc1ccc(cc1OC)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1/C24H24ClN3O6S/c1-3-35(31,32)14-20(29)13-34-22-9-8-19(11-23(22)33-2)27-15-26-28-12-17(10-21(28)24(27)30)16-4-6-18(25)7-5-16/h4-12,15,20,29H,3,13-14H2,1-2H3/t20-/s2
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2.40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13,Tyr19]-MCH from human MCHR1 expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem Lett 25: 4412-8 (2015)


BindingDB Entry DOI: 10.7270/Q2JD4ZMW
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50120634
PNG
(CHEMBL3618326)
Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cnn2cc(nc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H24ClN5O3/c1-32-22-14-19(8-9-21(22)33-13-12-28-10-2-3-11-28)29-16-26-30-15-20(27-23(30)24(29)31)17-4-6-18(25)7-5-17/h4-9,14-16H,2-3,10-13H2,1H3
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2.60n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13,Tyr19]-MCH from rat MCHR1 by scintillation counting analysis


Bioorg Med Chem Lett 25: 4412-8 (2015)


BindingDB Entry DOI: 10.7270/Q2JD4ZMW
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50120633
PNG
(CHEMBL3618327)
Show SMILES COc1cc(ccc1OCC(O)C1CC1)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1/C24H22ClN3O4/c1-31-23-11-19(8-9-22(23)32-13-21(29)16-2-3-16)27-14-26-28-12-17(10-20(28)24(27)30)15-4-6-18(25)7-5-15/h4-12,14,16,21,29H,2-3,13H2,1H3
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2.80n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13,Tyr19]-MCH from rat MCHR1 by scintillation counting analysis


Bioorg Med Chem Lett 25: 4412-8 (2015)


BindingDB Entry DOI: 10.7270/Q2JD4ZMW
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50011330
PNG
(CHEMBL3260750)
Show SMILES CCn1nc2c(-c3ccc(C)cc3)c(-c3ccc(cc3)C#N)c(=O)n(Cc3ccc(nc3C)C(F)(F)F)n2c1=O
Show InChI InChI=1S/C29H23F3N6O2/c1-4-36-28(40)38-26(35-36)24(20-9-5-17(2)6-10-20)25(21-11-7-19(15-33)8-12-21)27(39)37(38)16-22-13-14-23(29(30,31)32)34-18(22)3/h5-14H,4,16H2,1-3H3
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2.90n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis


J Med Chem 56: 9586-600 (2014)


Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50011323
PNG
(CHEMBL3260746)
Show SMILES CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccc(C#N)c(C)c3)c(=O)n(Cc3ccc(nc3C)C(F)(F)F)n2c1=O
Show InChI InChI=1S/C29H22ClF3N6O2/c1-4-37-28(41)39-26(36-37)24(18-7-10-22(30)11-8-18)25(19-5-6-20(14-34)16(2)13-19)27(40)38(39)15-21-9-12-23(29(31,32)33)35-17(21)3/h5-13H,4,15H2,1-3H3
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3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis


J Med Chem 56: 9586-600 (2014)


Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50120670
PNG
(CHEMBL3618338)
Show SMILES COc1cc(ccc1N1C[C@H](O)[C@H](O)C1)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1/C23H21ClN4O4/c1-32-22-9-17(6-7-18(22)26-11-20(29)21(30)12-26)27-13-25-28-10-15(8-19(28)23(27)31)14-2-4-16(24)5-3-14/h2-10,13,20-21,29-30H,11-12H2,1H3/t20-,21+
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3.10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13,Tyr19]-MCH from human MCHR1 expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem Lett 25: 4412-8 (2015)


BindingDB Entry DOI: 10.7270/Q2JD4ZMW
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50011334
PNG
(CHEMBL3260754)
Show SMILES CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccncc3F)c(=O)n(Cc3ccc(nc3C)C(F)(F)F)n2c1=O |(14.54,-16.67,;15.31,-15.33,;14.53,-14,;13,-13.84,;12.68,-12.33,;11.35,-11.56,;10.01,-12.34,;10.02,-13.88,;8.68,-14.65,;7.35,-13.89,;6.01,-14.66,;7.35,-12.34,;8.68,-11.57,;11.34,-10.03,;10.01,-9.26,;8.68,-10.03,;7.35,-9.26,;7.34,-7.72,;8.67,-6.95,;10.01,-7.72,;11.34,-6.95,;12.68,-9.26,;12.67,-7.72,;14.01,-10.02,;15.35,-9.25,;15.34,-7.71,;14,-6.95,;13.98,-5.41,;15.32,-4.62,;16.67,-5.39,;16.67,-6.93,;18.01,-7.69,;15.31,-3.08,;16.64,-2.3,;13.97,-2.32,;15.3,-1.53,;14.01,-11.57,;15.16,-12.6,;16.66,-12.27,)|
Show InChI InChI=1S/C26H19ClF4N6O2/c1-3-35-25(39)37-23(34-35)21(15-4-7-17(27)8-5-15)22(18-10-11-32-12-19(18)28)24(38)36(37)13-16-6-9-20(26(29,30)31)33-14(16)2/h4-12H,3,13H2,1-2H3
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3.20n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis


J Med Chem 56: 9586-600 (2014)


Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50120675
PNG
(CHEMBL3618339)
Show SMILES COc1cc(ccc1OCC1(O)CC(F)(F)C1)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H20ClF2N3O4/c1-33-21-9-18(6-7-20(21)34-13-23(32)11-24(26,27)12-23)29-14-28-30-10-16(8-19(30)22(29)31)15-2-4-17(25)5-3-15/h2-10,14,32H,11-13H2,1H3
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3.40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13,Tyr19]-MCH from human MCHR1 expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem Lett 25: 4412-8 (2015)


BindingDB Entry DOI: 10.7270/Q2JD4ZMW
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50120633
PNG
(CHEMBL3618327)
Show SMILES COc1cc(ccc1OCC(O)C1CC1)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1/C24H22ClN3O4/c1-31-23-11-19(8-9-22(23)32-13-21(29)16-2-3-16)27-14-26-28-12-17(10-20(28)24(27)30)15-4-6-18(25)7-5-15/h4-12,14,16,21,29H,2-3,13H2,1H3
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3.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13,Tyr19]-MCH from human MCHR1 expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem Lett 25: 4412-8 (2015)


BindingDB Entry DOI: 10.7270/Q2JD4ZMW
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50120675
PNG
(CHEMBL3618339)
Show SMILES COc1cc(ccc1OCC1(O)CC(F)(F)C1)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H20ClF2N3O4/c1-33-21-9-18(6-7-20(21)34-13-23(32)11-24(26,27)12-23)29-14-28-30-10-16(8-19(30)22(29)31)15-2-4-17(25)5-3-15/h2-10,14,32H,11-13H2,1H3
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3.80n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13,Tyr19]-MCH from rat MCHR1 by scintillation counting analysis


Bioorg Med Chem Lett 25: 4412-8 (2015)


BindingDB Entry DOI: 10.7270/Q2JD4ZMW
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50094885
PNG
(CHEMBL3588863)
Show SMILES COc1cc(ccc1OCC(C)(C)OC(=O)CN)N1Cc2cn(nc2C1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H25ClN4O5/c1-24(2,34-21(30)11-26)14-33-19-9-8-18(10-20(19)32-3)28-12-15-13-29(27-22(15)23(28)31)17-6-4-16(25)5-7-17/h4-10,13H,11-12,14,26H2,1-3H3
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3.80n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at rat MCHR1 assessed as 2-(4-chlorophenyl)-5-(4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(...


Bioorg Med Chem Lett 25: 2793-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.008
BindingDB Entry DOI: 10.7270/Q29C7053
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50011310
PNG
(CHEMBL3260737)
Show SMILES Clc1ccc(cc1)-c1c(-c2ccncc2)c2nn(Cc3ccc(cc3)C#N)c(=O)n2n(Cc2ccc(cc2)C#N)c1=O
Show InChI InChI=1S/C32H20ClN7O2/c33-27-11-9-25(10-12-27)29-28(26-13-15-36-16-14-26)30-37-38(19-23-5-1-21(17-34)2-6-23)32(42)40(30)39(31(29)41)20-24-7-3-22(18-35)4-8-24/h1-16H,19-20H2
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4.20n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis


J Med Chem 56: 9586-600 (2014)


Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50120634
PNG
(CHEMBL3618326)
Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cnn2cc(nc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H24ClN5O3/c1-32-22-14-19(8-9-21(22)33-13-12-28-10-2-3-11-28)29-16-26-30-15-20(27-23(30)24(29)31)17-4-6-18(25)7-5-17/h4-9,14-16H,2-3,10-13H2,1H3
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4.40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13,Tyr19]-MCH from human MCHR1 expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem Lett 25: 4412-8 (2015)


BindingDB Entry DOI: 10.7270/Q2JD4ZMW
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50011316
PNG
(CHEMBL3260743)
Show SMILES CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccncc3)c(=O)n(Cc3ccc(nc3C)C(F)(F)F)n2c1=O
Show InChI InChI=1S/C26H20ClF3N6O2/c1-3-34-25(38)36-23(33-34)21(16-4-7-19(27)8-5-16)22(17-10-12-31-13-11-17)24(37)35(36)14-18-6-9-20(26(28,29)30)32-15(18)2/h4-13H,3,14H2,1-2H3
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4.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis


J Med Chem 56: 9586-600 (2014)


Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50120674
PNG
(CHEMBL3618337)
Show SMILES COc1cc(ccc1N1CC[C@@H](O)C1)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1/C23H21ClN4O3/c1-31-22-11-18(6-7-20(22)26-9-8-19(29)13-26)27-14-25-28-12-16(10-21(28)23(27)30)15-2-4-17(24)5-3-15/h2-7,10-12,14,19,29H,8-9,13H2,1H3/t19-/s2
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4.70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13,Tyr19]-MCH from rat MCHR1 by scintillation counting analysis


Bioorg Med Chem Lett 25: 4412-8 (2015)


BindingDB Entry DOI: 10.7270/Q2JD4ZMW
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50011333
PNG
(CHEMBL3260753)
Show SMILES CCn1nc2c(-c3ccc(Cl)cc3)c(-c3cnc(C)nc3)c(=O)n(Cc3ccc(nc3C)C(F)(F)F)n2c1=O
Show InChI InChI=1S/C26H21ClF3N7O2/c1-4-35-25(39)37-23(34-35)21(16-5-8-19(27)9-6-16)22(18-11-31-15(3)32-12-18)24(38)36(37)13-17-7-10-20(26(28,29)30)33-14(17)2/h5-12H,4,13H2,1-3H3
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4.70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis


J Med Chem 56: 9586-600 (2014)


Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50120674
PNG
(CHEMBL3618337)
Show SMILES COc1cc(ccc1N1CC[C@@H](O)C1)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1/C23H21ClN4O3/c1-31-22-11-18(6-7-20(22)26-9-8-19(29)13-26)27-14-25-28-12-16(10-21(28)23(27)30)15-2-4-17(24)5-3-15/h2-7,10-12,14,19,29H,8-9,13H2,1H3/t19-/s2
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4.80n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13,Tyr19]-MCH from human MCHR1 expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem Lett 25: 4412-8 (2015)


BindingDB Entry DOI: 10.7270/Q2JD4ZMW
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50011331
PNG
(CHEMBL3260751)
Show SMILES CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccc(cc3)C#N)c(=O)n(Cc3ccc(cc3)C#N)n2c1=O
Show InChI InChI=1S/C28H19ClN6O2/c1-2-33-28(37)35-26(32-33)24(21-11-13-23(29)14-12-21)25(22-9-7-19(16-31)8-10-22)27(36)34(35)17-20-5-3-18(15-30)4-6-20/h3-14H,2,17H2,1H3
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5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis


J Med Chem 56: 9586-600 (2014)


Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50011332
PNG
(CHEMBL3260752)
Show SMILES CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccc(CO)nc3)c(=O)n(Cc3ccc(nc3C)C(F)(F)F)n2c1=O
Show InChI InChI=1S/C27H22ClF3N6O3/c1-3-35-26(40)37-24(34-35)22(16-4-8-19(28)9-5-16)23(17-6-10-20(14-38)32-12-17)25(39)36(37)13-18-7-11-21(27(29,30)31)33-15(18)2/h4-12,38H,3,13-14H2,1-2H3
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5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis


J Med Chem 56: 9586-600 (2014)


Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50120630
PNG
(CHEMBL3618332)
Show SMILES O[C@@H]1CCN(C1)c1ccc(cn1)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1/C21H18ClN5O2/c22-16-3-1-14(2-4-16)15-9-19-21(29)26(13-24-27(19)11-15)17-5-6-20(23-10-17)25-8-7-18(28)12-25/h1-6,9-11,13,18,28H,7-8,12H2/t18-/s2
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5.30n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13,Tyr19]-MCH from human MCHR1 expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem Lett 25: 4412-8 (2015)


BindingDB Entry DOI: 10.7270/Q2JD4ZMW
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50120630
PNG
(CHEMBL3618332)
Show SMILES O[C@@H]1CCN(C1)c1ccc(cn1)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1/C21H18ClN5O2/c22-16-3-1-14(2-4-16)15-9-19-21(29)26(13-24-27(19)11-15)17-5-6-20(23-10-17)25-8-7-18(28)12-25/h1-6,9-11,13,18,28H,7-8,12H2/t18-/s2
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5.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13,Tyr19]-MCH from rat MCHR1 by scintillation counting analysis


Bioorg Med Chem Lett 25: 4412-8 (2015)


BindingDB Entry DOI: 10.7270/Q2JD4ZMW
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50120729
PNG
(CHEMBL3618345)
Show SMILES COc1cc(ccc1OCC1(O)CC(F)(F)C1)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cn1
Show InChI InChI=1S/C23H19ClF2N4O4/c1-33-20-7-16(3-5-19(20)34-12-22(32)10-23(25,26)11-22)29-13-28-30-9-14(6-18(30)21(29)31)17-4-2-15(24)8-27-17/h2-9,13,32H,10-12H2,1H3
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6.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13,Tyr19]-MCH from rat MCHR1 by scintillation counting analysis


Bioorg Med Chem Lett 25: 4412-8 (2015)


BindingDB Entry DOI: 10.7270/Q2JD4ZMW
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50120729
PNG
(CHEMBL3618345)
Show SMILES COc1cc(ccc1OCC1(O)CC(F)(F)C1)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cn1
Show InChI InChI=1S/C23H19ClF2N4O4/c1-33-20-7-16(3-5-19(20)34-12-22(32)10-23(25,26)11-22)29-13-28-30-9-14(6-18(30)21(29)31)17-4-2-15(24)8-27-17/h2-9,13,32H,10-12H2,1H3
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6.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13,Tyr19]-MCH from human MCHR1 expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem Lett 25: 4412-8 (2015)


BindingDB Entry DOI: 10.7270/Q2JD4ZMW
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50120678
PNG
(CHEMBL3618342)
Show SMILES COc1cc(ccc1OC[C@H](O)C1CC1)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cn1 |r|
Show InChI InChI=1/C23H21ClN4O4/c1-31-22-9-17(5-7-21(22)32-12-20(29)14-2-3-14)27-13-26-28-11-15(8-19(28)23(27)30)18-6-4-16(24)10-25-18/h4-11,13-14,20,29H,2-3,12H2,1H3/t20-/s2
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6.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13,Tyr19]-MCH from human MCHR1 expressed in HEK293 cells by scintillation counting analysis


Bioorg Med Chem Lett 25: 4412-8 (2015)


BindingDB Entry DOI: 10.7270/Q2JD4ZMW
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50094881
PNG
(CHEMBL3589155)
Show SMILES COc1cc(ccc1OCC(C)(C)OC(=O)CN)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H24ClN3O5S/c1-25(2,34-22(30)12-27)13-33-19-9-8-17(10-20(19)32-3)29-14-28-18-11-21(35-23(18)24(29)31)15-4-6-16(26)7-5-15/h4-11,14H,12-13,27H2,1-3H3
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7.20n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at rat MCHR1 assessed as 6-(4-chlorophenyl)-3-(4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl)thieno[3,2-d]pyrimidin-4(3H)-one


Bioorg Med Chem Lett 25: 2793-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.008
BindingDB Entry DOI: 10.7270/Q29C7053
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50094884
PNG
(CHEMBL3589154)
Show SMILES COc1cc(ccc1OCC(C)(C)O)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H21ClN2O4S/c1-23(2,28)12-30-18-9-8-16(10-19(18)29-3)26-13-25-17-11-20(31-21(17)22(26)27)14-4-6-15(24)7-5-14/h4-11,13,28H,12H2,1-3H3
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7.20n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13,Tyr19]-MCH from rat MCHR1 by scintillation counting analysis


Bioorg Med Chem Lett 25: 4412-8 (2015)


BindingDB Entry DOI: 10.7270/Q2JD4ZMW
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50120787
PNG
(CHEMBL3618348)
Show SMILES COc1cc(ccc1OCC1(O)CC(F)(F)C1)-n1cnn2cc(cc2c1=O)-c1ncc(Cl)cn1
Show InChI InChI=1S/C22H18ClF2N5O4/c1-33-18-5-15(2-3-17(18)34-11-21(32)9-22(24,25)10-21)29-12-28-30-8-13(4-16(30)20(29)31)19-26-6-14(23)7-27-19/h2-8,12,32H,9-11H2,1H3
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7.90n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13,Tyr19]-MCH from rat MCHR1 by scintillation counting analysis


Bioorg Med Chem Lett 25: 4412-8 (2015)


BindingDB Entry DOI: 10.7270/Q2JD4ZMW
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50120673
PNG
(CHEMBL3618321)
Show SMILES COc1ccc(cc1OC)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H16ClN3O3/c1-26-18-8-7-16(10-19(18)27-2)23-12-22-24-11-14(9-17(24)20(23)25)13-3-5-15(21)6-4-13/h3-12H,1-2H3
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8n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13,Tyr19]-MCH from rat MCHR1 by scintillation counting analysis


Bioorg Med Chem Lett 25: 4412-8 (2015)


BindingDB Entry DOI: 10.7270/Q2JD4ZMW
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50011317
PNG
(CHEMBL3260744)
Show SMILES CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccncc3C)c(=O)n(Cc3ccc(nc3C)C(F)(F)F)n2c1=O |(16.96,-15.83,;17.73,-14.5,;16.96,-13.17,;15.43,-13.01,;15.11,-11.5,;13.78,-10.73,;12.44,-11.51,;12.44,-13.05,;11.11,-13.82,;9.77,-13.05,;8.44,-13.82,;9.77,-11.51,;11.11,-10.74,;13.77,-9.2,;12.44,-8.43,;11.11,-9.2,;9.77,-8.43,;9.77,-6.89,;11.1,-6.12,;12.44,-6.89,;13.78,-5.75,;15.1,-8.42,;15.1,-6.89,;16.44,-9.19,;17.77,-8.42,;17.76,-6.87,;16.42,-6.12,;16.41,-4.58,;17.75,-3.79,;19.09,-4.55,;19.1,-6.1,;20.44,-6.86,;17.74,-2.25,;19.06,-1.47,;16.4,-1.49,;17.72,-.7,;16.44,-10.73,;17.58,-11.76,;19.09,-11.44,)|
Show InChI InChI=1S/C27H22ClF3N6O2/c1-4-35-26(39)37-24(34-35)22(17-5-8-19(28)9-6-17)23(20-11-12-32-13-15(20)2)25(38)36(37)14-18-7-10-21(27(29,30)31)33-16(18)3/h5-13H,4,14H2,1-3H3
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8.40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis


J Med Chem 56: 9586-600 (2014)


Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50120716
PNG
(CHEMBL3618344)
Show SMILES CCS(=O)(=O)C[C@@H](O)COc1ccc(cc1OC)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cn1 |r|
Show InChI InChI=1/C23H23ClN4O6S/c1-3-35(31,32)13-18(29)12-34-21-7-5-17(9-22(21)33-2)27-14-26-28-11-15(8-20(28)23(27)30)19-6-4-16(24)10-25-19/h4-11,14,18,29H,3,12-13H2,1-2H3/t18-/s2
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8.70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I][Phe13,Tyr19]-MCH from rat MCHR1 by scintillation counting analysis


Bioorg Med Chem Lett 25: 4412-8 (2015)


BindingDB Entry DOI: 10.7270/Q2JD4ZMW
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50011314
PNG
(CHEMBL3260741)
Show SMILES Cc1nc(ccc1Cn1n2c(nn(C)c2=O)c(-c2ccc(Cl)cc2)c(-c2ccncc2)c1=O)C(F)(F)F
Show InChI InChI=1S/C25H18ClF3N6O2/c1-14-17(5-8-19(31-14)25(27,28)29)13-34-23(36)21(16-9-11-30-12-10-16)20(15-3-6-18(26)7-4-15)22-32-33(2)24(37)35(22)34/h3-12H,13H2,1-2H3
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9n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis


J Med Chem 56: 9586-600 (2014)


Article DOI: 10.1021/jm4010835
BindingDB Entry DOI: 10.7270/Q24X59B8
More data for this
Ligand-Target Pair
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