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33 similar compounds to monomer 50153724

Compile data set for download or QSAR
Wt: 473.6
BDBM50150589
Purchase
Wt: 486.6
BDBM50152146
Wt: 331.1
BDBM50150627
Wt: 378.4
BDBM50152097
Wt: 464.3
BDBM50152104
Wt: 534.5
BDBM50152107
Wt: 452.3
BDBM50152108
Wt: 568.9
BDBM50152114
Wt: 534.5
BDBM50152115
Wt: 520.4
BDBM50152116
Wt: 416.3
BDBM50150640
Wt: 310.3
BDBM50152099
Wt: 298.3
BDBM50152100
Wt: 463.2
BDBM50152101
Wt: 453.3
BDBM50152110
Displayed 1 to 15 (of 31 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 31 hits for monomerid = 50150589,50152146,50150627,50152097,50152104,50152107,50152108,50152114,50152115,50152116,50150640,50152099,50152100,50152101,50152110   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50152116
PNG
(CHEMBL3781131)
Show SMILES C[C@]12CCC(C1)C(C)(C)C2NC(=O)c1nn(c-2c1Cc1cc(ccc-21)C1CC1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C30H31Cl2N3O/c1-29(2)19-10-11-30(3,15-19)28(29)33-27(36)25-22-13-18-12-17(16-4-5-16)6-8-21(18)26(22)35(34-25)24-9-7-20(31)14-23(24)32/h6-9,12,14,16,19,28H,4-5,10-11,13,15H2,1-3H3,(H,33,36)/t19?,28?,30-/m0/s1
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6n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293-EBNA cell membrane incubated for 90 mins by liquid scintillation counting met...


Eur J Med Chem 112: 66-80 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.005
BindingDB Entry DOI: 10.7270/Q24B336C
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50152110
PNG
(CHEMBL3780457)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCC2)c2Cc3cc(ccc3-c12)C1CC1
Show InChI InChI=1S/C24H22Cl2N4O/c25-17-6-8-21(20(26)13-17)30-23-18-7-5-15(14-3-4-14)11-16(18)12-19(23)22(27-30)24(31)28-29-9-1-2-10-29/h5-8,11,13-14H,1-4,9-10,12H2,(H,28,31)
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152n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293-EBNA cell membrane incubated for 90 mins by liquid scintillation counting met...


Eur J Med Chem 112: 66-80 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.005
BindingDB Entry DOI: 10.7270/Q24B336C
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50152108
PNG
(CHEMBL3780282)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)N2CCCCC2)c2Cc3cc(ccc3-c12)C1CC1
Show InChI InChI=1S/C25H23Cl2N3O/c26-18-7-9-22(21(27)14-18)30-24-19-8-6-16(15-4-5-15)12-17(19)13-20(24)23(28-30)25(31)29-10-2-1-3-11-29/h6-9,12,14-15H,1-5,10-11,13H2
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414n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293-EBNA cell membrane incubated for 90 mins by liquid scintillation counting met...


Eur J Med Chem 112: 66-80 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.005
BindingDB Entry DOI: 10.7270/Q24B336C
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50152110
PNG
(CHEMBL3780457)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCC2)c2Cc3cc(ccc3-c12)C1CC1
Show InChI InChI=1S/C24H22Cl2N4O/c25-17-6-8-21(20(26)13-17)30-23-18-7-5-15(14-3-4-14)11-16(18)12-19(23)22(27-30)24(31)28-29-9-1-2-10-29/h5-8,11,13-14H,1-4,9-10,12H2,(H,28,31)
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4.21E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293-EBNA cell membrane incubated for 90 mins by liquid scintillation counting met...


Eur J Med Chem 112: 66-80 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.005
BindingDB Entry DOI: 10.7270/Q24B336C
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50152115
PNG
(CHEMBL3781252)
Show SMILES C[C@]12CCC(C1)C(C)(C)C2NC(=O)c1nn(c-2c1CCc1cc(ccc-21)C1CC1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C31H33Cl2N3O/c1-30(2)20-12-13-31(3,16-20)29(30)34-28(37)26-23-10-7-19-14-18(17-4-5-17)6-9-22(19)27(23)36(35-26)25-11-8-21(32)15-24(25)33/h6,8-9,11,14-15,17,20,29H,4-5,7,10,12-13,16H2,1-3H3,(H,34,37)/t20?,29?,31-/m0/s1
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5.52E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293-EBNA cell membrane incubated for 90 mins by liquid scintillation counting met...


Eur J Med Chem 112: 66-80 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.005
BindingDB Entry DOI: 10.7270/Q24B336C
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50152107
PNG
(CHEMBL3780368)
Show SMILES CC1(C)C2CC1C(CNC(=O)c1nn(c-3c1CCc1cc(ccc-31)C1CC1)-c1ccc(Cl)cc1Cl)CC2
Show InChI InChI=1S/C31H33Cl2N3O/c1-31(2)21-8-5-20(25(31)14-21)16-34-30(37)28-24-11-7-19-13-18(17-3-4-17)6-10-23(19)29(24)36(35-28)27-12-9-22(32)15-26(27)33/h6,9-10,12-13,15,17,20-21,25H,3-5,7-8,11,14,16H2,1-2H3,(H,34,37)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293-EBNA cell membrane incubated for 90 mins by liquid scintillation counting met...


Eur J Med Chem 112: 66-80 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.005
BindingDB Entry DOI: 10.7270/Q24B336C
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50152108
PNG
(CHEMBL3780282)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)N2CCCCC2)c2Cc3cc(ccc3-c12)C1CC1
Show InChI InChI=1S/C25H23Cl2N3O/c26-18-7-9-22(21(27)14-18)30-24-19-8-6-16(15-4-5-15)12-17(19)13-20(24)23(28-30)25(31)29-10-2-1-3-11-29/h6-9,12,14-15H,1-5,10-11,13H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293-EBNA cell membrane incubated for 90 mins by liquid scintillation counting met...


Eur J Med Chem 112: 66-80 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.005
BindingDB Entry DOI: 10.7270/Q24B336C
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50152107
PNG
(CHEMBL3780368)
Show SMILES CC1(C)C2CC1C(CNC(=O)c1nn(c-3c1CCc1cc(ccc-31)C1CC1)-c1ccc(Cl)cc1Cl)CC2
Show InChI InChI=1S/C31H33Cl2N3O/c1-31(2)21-8-5-20(25(31)14-21)16-34-30(37)28-24-11-7-19-13-18(17-3-4-17)6-10-23(19)29(24)36(35-28)27-12-9-22(32)15-26(27)33/h6,9-10,12-13,15,17,20-21,25H,3-5,7-8,11,14,16H2,1-2H3,(H,34,37)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293-EBNA cell membrane incubated for 90 mins by liquid scintillation counting met...


Eur J Med Chem 112: 66-80 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.005
BindingDB Entry DOI: 10.7270/Q24B336C
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50152114
PNG
(CHEMBL3780608)
Show SMILES Cl.C[C@]12CCC(C1)C(C)(C)C2NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1ccc1cc(ccc21)C1CC1
Show InChI InChI=1S/C31H31Cl2N3O.ClH/c1-30(2)20-12-13-31(3,16-20)29(30)34-28(37)26-23-10-7-19-14-18(17-4-5-17)6-9-22(19)27(23)36(35-26)25-11-8-21(32)15-24(25)33;/h6-11,14-15,17,20,29H,4-5,12-13,16H2,1-3H3,(H,34,37);1H/t20?,29?,31-;/m0./s1
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>4.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293-EBNA cell membrane incubated for 90 mins by liquid scintillation counting met...


Eur J Med Chem 112: 66-80 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.005
BindingDB Entry DOI: 10.7270/Q24B336C
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50152115
PNG
(CHEMBL3781252)
Show SMILES C[C@]12CCC(C1)C(C)(C)C2NC(=O)c1nn(c-2c1CCc1cc(ccc-21)C1CC1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C31H33Cl2N3O/c1-30(2)20-12-13-31(3,16-20)29(30)34-28(37)26-23-10-7-19-14-18(17-4-5-17)6-9-22(19)27(23)36(35-26)25-11-8-21(32)15-24(25)33/h6,8-9,11,14-15,17,20,29H,4-5,7,10,12-13,16H2,1-3H3,(H,34,37)/t20?,29?,31-/m0/s1
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>4.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293-EBNA cell membrane incubated for 90 mins by liquid scintillation counting met...


Eur J Med Chem 112: 66-80 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.005
BindingDB Entry DOI: 10.7270/Q24B336C
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50152116
PNG
(CHEMBL3781131)
Show SMILES C[C@]12CCC(C1)C(C)(C)C2NC(=O)c1nn(c-2c1Cc1cc(ccc-21)C1CC1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C30H31Cl2N3O/c1-29(2)19-10-11-30(3,15-19)28(29)33-27(36)25-22-13-18-12-17(16-4-5-16)6-8-21(18)26(22)35(34-25)24-9-7-20(31)14-23(24)32/h6-9,12,14,16,19,28H,4-5,10-11,13,15H2,1-3H3,(H,33,36)/t19?,28?,30-/m0/s1
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>4.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293-EBNA cell membrane incubated for 90 mins by liquid scintillation counting met...


Eur J Med Chem 112: 66-80 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.005
BindingDB Entry DOI: 10.7270/Q24B336C
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50152104
PNG
(CHEMBL3780960)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)N2CCCCC2)c2ccc3cc(ccc3c12)C1CC1
Show InChI InChI=1S/C26H23Cl2N3O/c27-19-8-11-23(22(28)15-19)31-25-20-9-6-17(16-4-5-16)14-18(20)7-10-21(25)24(29-31)26(32)30-12-2-1-3-13-30/h6-11,14-16H,1-5,12-13H2
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>4.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293-EBNA cell membrane incubated for 90 mins by liquid scintillation counting met...


Eur J Med Chem 112: 66-80 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.005
BindingDB Entry DOI: 10.7270/Q24B336C
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50152104
PNG
(CHEMBL3780960)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)N2CCCCC2)c2ccc3cc(ccc3c12)C1CC1
Show InChI InChI=1S/C26H23Cl2N3O/c27-19-8-11-23(22(28)15-19)31-25-20-9-6-17(16-4-5-16)14-18(20)7-10-21(25)24(29-31)26(32)30-12-2-1-3-13-30/h6-11,14-16H,1-5,12-13H2
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>4.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293-EBNA cell membrane incubated for 90 mins by liquid scintillation counting met...


Eur J Med Chem 112: 66-80 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.005
BindingDB Entry DOI: 10.7270/Q24B336C
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50152114
PNG
(CHEMBL3780608)
Show SMILES Cl.C[C@]12CCC(C1)C(C)(C)C2NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1ccc1cc(ccc21)C1CC1
Show InChI InChI=1S/C31H31Cl2N3O.ClH/c1-30(2)20-12-13-31(3,16-20)29(30)34-28(37)26-23-10-7-19-14-18(17-4-5-17)6-9-22(19)27(23)36(35-26)25-11-8-21(32)15-24(25)33;/h6-11,14-15,17,20,29H,4-5,12-13,16H2,1-3H3,(H,34,37);1H/t20?,29?,31-;/m0./s1
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>4.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293-EBNA cell membrane incubated for 90 mins by liquid scintillation counting met...


Eur J Med Chem 112: 66-80 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.005
BindingDB Entry DOI: 10.7270/Q24B336C
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5C


(Homo sapiens (Human))
BDBM50152097
PNG
(CHEMBL3774747)
Show SMILES CN(CCc1cnn(c1)-c1nccc2c1nc[nH]c2=O)Cc1ccc(F)cc1
Show InChI InChI=1S/C20H19FN6O/c1-26(11-14-2-4-16(21)5-3-14)9-7-15-10-25-27(12-15)19-18-17(6-8-22-19)20(28)24-13-23-18/h2-6,8,10,12-13H,7,9,11H2,1H3,(H,23,24,28)
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n/an/a 78n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KDM5C (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 1388-409 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01635
BindingDB Entry DOI: 10.7270/Q2W097TR
More data for this
Ligand-Target Pair
Lysine-specific demethylase 6B


(Homo sapiens (Human))
BDBM50152097
PNG
(CHEMBL3774747)
Show SMILES CN(CCc1cnn(c1)-c1nccc2c1nc[nH]c2=O)Cc1ccc(F)cc1
Show InChI InChI=1S/C20H19FN6O/c1-26(11-14-2-4-16(21)5-3-14)9-7-15-10-25-27(12-15)19-18-17(6-8-22-19)20(28)24-13-23-18/h2-6,8,10,12-13H,7,9,11H2,1H3,(H,23,24,28)
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n/an/a 2.63E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KDM6B (unknown origin) using biotin-H3K27me3 (21 to 44 residues) as substrate preincubated for 15 mins followed by substrate addition m...


J Med Chem 59: 1388-409 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01635
BindingDB Entry DOI: 10.7270/Q2W097TR
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4A


(Homo sapiens (Human))
BDBM50152097
PNG
(CHEMBL3774747)
Show SMILES CN(CCc1cnn(c1)-c1nccc2c1nc[nH]c2=O)Cc1ccc(F)cc1
Show InChI InChI=1S/C20H19FN6O/c1-26(11-14-2-4-16(21)5-3-14)9-7-15-10-25-27(12-15)19-18-17(6-8-22-19)20(28)24-13-23-18/h2-6,8,10,12-13H,7,9,11H2,1H3,(H,23,24,28)
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n/an/a 900n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged KDM4A (1 to 359 residues) expressed in Escherichia coli using biotin-H3K9me3 as substrate preincubated for ...


J Med Chem 59: 1388-409 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01635
BindingDB Entry DOI: 10.7270/Q2W097TR
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4B


(Homo sapiens (Human))
BDBM50152097
PNG
(CHEMBL3774747)
Show SMILES CN(CCc1cnn(c1)-c1nccc2c1nc[nH]c2=O)Cc1ccc(F)cc1
Show InChI InChI=1S/C20H19FN6O/c1-26(11-14-2-4-16(21)5-3-14)9-7-15-10-25-27(12-15)19-18-17(6-8-22-19)20(28)24-13-23-18/h2-6,8,10,12-13H,7,9,11H2,1H3,(H,23,24,28)
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n/an/a 390n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged KDM4B (1 to 500 residues) expressed in baculovirus infected sf9 cells using biotin-H3K9me3 as s...


J Med Chem 59: 1388-409 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01635
BindingDB Entry DOI: 10.7270/Q2W097TR
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))
BDBM50150640
PNG
(CHEMBL3769711)
Show SMILES Clc1ccc(CNc2cccn(CC(=O)NCc3ccccc3)c2=O)cc1Cl
Show InChI InChI=1S/C21H19Cl2N3O2/c22-17-9-8-16(11-18(17)23)13-24-19-7-4-10-26(21(19)28)14-20(27)25-12-15-5-2-1-3-6-15/h1-11,24H,12-14H2,(H,25,27)
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n/an/a 1.02E+4n/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle glycogen phosphorylase-a assessed as formation of inorganic phosphate from glucose-1-phosphate by colorimetry


Eur J Med Chem 111: 1-14 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.031
BindingDB Entry DOI: 10.7270/Q2R78H3F
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50150627
PNG
(CHEMBL3769572)
Show SMILES OB(O)c1ccc(CNC(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C20H18BNO3/c23-20(22-14-15-6-12-19(13-7-15)21(24)25)18-10-8-17(9-11-18)16-4-2-1-3-5-16/h1-13,24-25H,14H2,(H,22,23)
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n/an/a 330n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of rat brain FAAH assessed as hydrolysis of [14C]AEA to [14C]Ethanolamine incubated for 30 mins by scintillation counting method


Bioorg Med Chem Lett 26: 1401-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.071
BindingDB Entry DOI: 10.7270/Q24F1SM9
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50150627
PNG
(CHEMBL3769572)
Show SMILES OB(O)c1ccc(CNC(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C20H18BNO3/c23-20(22-14-15-6-12-19(13-7-15)21(24)25)18-10-8-17(9-11-18)16-4-2-1-3-5-16/h1-13,24-25H,14H2,(H,22,23)
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n/an/an/an/a 4.23E+3n/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human TRPV1 channel expressed in HEK293 cells assessed as increase in intracellular Ca2+ concentration by Fluo-4-AM d...


Bioorg Med Chem Lett 26: 1401-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.071
BindingDB Entry DOI: 10.7270/Q24F1SM9
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50150627
PNG
(CHEMBL3769572)
Show SMILES OB(O)c1ccc(CNC(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C20H18BNO3/c23-20(22-14-15-6-12-19(13-7-15)21(24)25)18-10-8-17(9-11-18)16-4-2-1-3-5-16/h1-13,24-25H,14H2,(H,22,23)
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n/an/a 7.11E+3n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human TRPV1 channel expressed in HEK293 cells assessed as inhibition of capsiacin-induced Ca2+ flux preincubated f...


Bioorg Med Chem Lett 26: 1401-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.071
BindingDB Entry DOI: 10.7270/Q24F1SM9
More data for this
Ligand-Target Pair
Lysine-specific demethylase 5B


(Homo sapiens (Human))
BDBM50152097
PNG
(CHEMBL3774747)
Show SMILES CN(CCc1cnn(c1)-c1nccc2c1nc[nH]c2=O)Cc1ccc(F)cc1
Show InChI InChI=1S/C20H19FN6O/c1-26(11-14-2-4-16(21)5-3-14)9-7-15-10-25-27(12-15)19-18-17(6-8-22-19)20(28)24-13-23-18/h2-6,8,10,12-13H,7,9,11H2,1H3,(H,23,24,28)
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n/an/a 42n/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...


J Med Chem 59: 1388-409 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01635
BindingDB Entry DOI: 10.7270/Q2W097TR
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50152146
PNG
(CHEMBL3780951)
Show SMILES Cc1cc(C)n(Cc2ccc(cc2)C(=O)NCC2(CCOCC2)c2nc(cs2)-c2ccccc2)n1
Show InChI InChI=1S/C28H30N4O2S/c1-20-16-21(2)32(31-20)17-22-8-10-24(11-9-22)26(33)29-19-28(12-14-34-15-13-28)27-30-25(18-35-27)23-6-4-3-5-7-23/h3-11,16,18H,12-15,17,19H2,1-2H3,(H,29,33)
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n/an/a 4.49E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of human ERG by QPatch assay


Eur J Med Chem 112: 252-7 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.008
BindingDB Entry DOI: 10.7270/Q2VT1TZH
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50152116
PNG
(CHEMBL3781131)
Show SMILES C[C@]12CCC(C1)C(C)(C)C2NC(=O)c1nn(c-2c1Cc1cc(ccc-21)C1CC1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C30H31Cl2N3O/c1-29(2)19-10-11-30(3,15-19)28(29)33-27(36)25-22-13-18-12-17(16-4-5-16)6-8-21(18)26(22)35(34-25)24-9-7-20(31)14-23(24)32/h6-9,12,14,16,19,28H,4-5,10-11,13,15H2,1-3H3,(H,33,36)/t19?,28?,30-/m0/s1
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n/an/a 80n/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Antagonist/inverse agonist activity at human CB2 receptors expressed in human Chem4 cell membrane incubated for 30 mins by [35S]GTPgammaS binding ass...


Eur J Med Chem 112: 66-80 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.005
BindingDB Entry DOI: 10.7270/Q24B336C
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50152101
PNG
(CHEMBL3780707)
Show SMILES CC1=NN(C(C1)c1cc(Br)ccc1O)S(=O)(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H14BrF3N2O3S/c1-10-8-15(14-9-12(18)4-7-16(14)24)23(22-10)27(25,26)13-5-2-11(3-6-13)17(19,20)21/h2-7,9,15,24H,8H2,1H3
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n/an/a>6.00E+4n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human MGC803 cells after 24 hrs by TRAP-PCR-ELISA method


Bioorg Med Chem Lett 26: 1508-11 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.025
BindingDB Entry DOI: 10.7270/Q2833TX9
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50152100
PNG
(CHEMBL3781523)
Show SMILES CC1=NN(C(C1)c1ccccc1O)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C17H15FN2O2/c1-11-10-15(14-4-2-3-5-16(14)21)20(19-11)17(22)12-6-8-13(18)9-7-12/h2-9,15,21H,10H2,1H3
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n/an/a 2.98E+4n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human MGC803 cells after 24 hrs by TRAP-PCR-ELISA method


Bioorg Med Chem Lett 26: 1508-11 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.025
BindingDB Entry DOI: 10.7270/Q2833TX9
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50152099
PNG
(CHEMBL3781107)
Show SMILES COc1ccc(cc1)C(=O)N1N=C(C)CC1c1ccccc1O
Show InChI InChI=1S/C18H18N2O3/c1-12-11-16(15-5-3-4-6-17(15)21)20(19-12)18(22)13-7-9-14(23-2)10-8-13/h3-10,16,21H,11H2,1-2H3
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n/an/a 2.50E+4n/an/an/an/an/an/a



Hefei University of Technology

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human MGC803 cells after 24 hrs by TRAP-PCR-ELISA method


Bioorg Med Chem Lett 26: 1508-11 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.025
BindingDB Entry DOI: 10.7270/Q2833TX9
More data for this
Ligand-Target Pair
Homo sapiens lysine demethylase 2A (KDM2A)


(Homo sapiens (Human))
BDBM50152097
PNG
(CHEMBL3774747)
Show SMILES CN(CCc1cnn(c1)-c1nccc2c1nc[nH]c2=O)Cc1ccc(F)cc1
Show InChI InChI=1S/C20H19FN6O/c1-26(11-14-2-4-16(21)5-3-14)9-7-15-10-25-27(12-15)19-18-17(6-8-22-19)20(28)24-13-23-18/h2-6,8,10,12-13H,7,9,11H2,1H3,(H,23,24,28)
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n/an/a 1.34E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KDM2A (unknown origin) using biotin-H3K36me2 (28 to 48 residues) as substrate preincubated for 15 mins followed by substrate addition m...


J Med Chem 59: 1388-409 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01635
BindingDB Entry DOI: 10.7270/Q2W097TR
More data for this
Ligand-Target Pair
Tubulin beta-1 chain


(Homo sapiens (Human))
BDBM50150589
PNG
((E)-(S)-4-{[(S)-3,3-Dimethyl-2-((S)-3-methyl-2-met...)
Show SMILES CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](\C=C(/C)C(O)=O)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1
Show InChI InChI=1S/C27H43N3O4/c1-17(2)20(16-18(3)25(33)34)30(10)24(32)22(26(4,5)6)29-23(31)21(28-9)27(7,8)19-14-12-11-13-15-19/h11-17,20-22,28H,1-10H3,(H,29,31)(H,33,34)/b18-16+/t20-,21-,22-/m1/s1
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n/an/an/a 260n/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Binding affinity towards tubulin


J Med Chem 47: 4774-86 (2004)


Article DOI: 10.1021/jm040056u
BindingDB Entry DOI: 10.7270/Q2RV0N55
More data for this
Ligand-Target Pair
Lysine-specific demethylase 3A


(Homo sapiens (Human))
BDBM50152097
PNG
(CHEMBL3774747)
Show SMILES CN(CCc1cnn(c1)-c1nccc2c1nc[nH]c2=O)Cc1ccc(F)cc1
Show InChI InChI=1S/C20H19FN6O/c1-26(11-14-2-4-16(21)5-3-14)9-7-15-10-25-27(12-15)19-18-17(6-8-22-19)20(28)24-13-23-18/h2-6,8,10,12-13H,7,9,11H2,1H3,(H,23,24,28)
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n/an/a 1.39E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KDM3A (unknown origin) using biotin-H3K9me2 (1 to 21 residues) as substrate preincubated for 15 mins followed by substrate addition mea...


J Med Chem 59: 1388-409 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01635
BindingDB Entry DOI: 10.7270/Q2W097TR
More data for this
Ligand-Target Pair