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379 molecules are shown

Wt: 556.4
BDBM50044128Purchase		Wt: 317.3
BDBM50040880Purchase		Wt: 315.3
BDBM50073006Purchase		Wt: 354.4
BDBM50095892
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50044128,50040880,50073006,50095892   
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 1


(Homo sapiens (Human))		BDBM50044128
PNG
(CHEMBL3341898)
Show SMILES Cc1c(nn(c1-c1ccc(cc1)C#CCCC#N)-c1ccc(Cl)cc1Cl)C(=O)NN1CCS(=O)(=O)CC1
Show InChI InChI=1S/C26H23Cl2N5O3S/c1-18-24(26(34)31-32-13-15-37(35,36)16-14-32)30-33(23-11-10-21(27)17-22(23)28)25(18)20-8-6-19(7-9-20)5-3-2-4-12-29/h6-11,17H,2,4,13-16H2,1H3,(H,31,34)
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 1n/an/an/an/an/an/an/an/a



Jenrin Discovery

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor

Bioorg Med Chem Lett 23: 4751-60 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.066
BindingDB Entry DOI: 10.7270/Q2VH5QFZ
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50040880
PNG
(CHEMBL3353802)
Show SMILES N#Cc1ccccc1CSc1nnc2c(n1)[nH]c1ccccc21
Show InChI InChI=1S/C17H11N5S/c18-9-11-5-1-2-6-12(11)10-23-17-20-16-15(21-22-17)13-7-3-4-8-14(13)19-16/h1-8H,10H2,(H,19,20,22)
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 355n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN-55212-2 from human CB2R expressed in CHO cells

Bioorg Med Chem 23: 241-63 (2014)


Article DOI: 10.1016/j.bmc.2014.11.002
BindingDB Entry DOI: 10.7270/Q2930VS3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50040880
PNG
(CHEMBL3353802)
Show SMILES N#Cc1ccccc1CSc1nnc2c(n1)[nH]c1ccccc21
Show InChI InChI=1S/C17H11N5S/c18-9-11-5-1-2-6-12(11)10-23-17-20-16-15(21-22-17)13-7-3-4-8-14(13)19-16/h1-8H,10H2,(H,19,20,22)
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>6.00E+4n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1R expressed in CHO cells

Bioorg Med Chem 23: 241-63 (2014)


Article DOI: 10.1016/j.bmc.2014.11.002
BindingDB Entry DOI: 10.7270/Q2930VS3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50040880
PNG
(CHEMBL3353802)
Show SMILES N#Cc1ccccc1CSc1nnc2c(n1)[nH]c1ccccc21
Show InChI InChI=1S/C17H11N5S/c18-9-11-5-1-2-6-12(11)10-23-17-20-16-15(21-22-17)13-7-3-4-8-14(13)19-16/h1-8H,10H2,(H,19,20,22)
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n/an/an/an/a>3.00E+4n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Agonist activity at human CB1R expressed in CHO cells assessed as reduction in forskolin-induced cAMP accumulation by beta-galactosidase based comple...

Bioorg Med Chem 23: 241-63 (2014)


Article DOI: 10.1016/j.bmc.2014.11.002
BindingDB Entry DOI: 10.7270/Q2930VS3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50095892
PNG
(CHEMBL3590290)
Show SMILES CCCCCN1C(=O)\C(=C\NC2CCCCC2)C(=O)c2ccc(C)cc12
Show InChI InChI=1S/C22H30N2O2/c1-3-4-8-13-24-20-14-16(2)11-12-18(20)21(25)19(22(24)26)15-23-17-9-6-5-7-10-17/h11-12,14-15,17,23H,3-10,13H2,1-2H3/b19-15+
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n/an/a 9n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity against CB2R (unknown origin) CHO cells stably expressing Galpha16 assessed as inhibition of CP55940-induced increase in intracel...

J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50073006
PNG
(CHEMBL3410693)
Show SMILES CCOc1cccc2cc(C(=O)NC3CCCCC3)c(=O)oc12
Show InChI InChI=1S/C18H21NO4/c1-2-22-15-10-6-7-12-11-14(18(21)23-16(12)15)17(20)19-13-8-4-3-5-9-13/h6-7,10-11,13H,2-5,8-9H2,1H3,(H,19,20)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Agonist activity at CB1 receptor (unknown origin) expressed in CHO cells by calcium mobilization assay

Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50073006
PNG
(CHEMBL3410693)
Show SMILES CCOc1cccc2cc(C(=O)NC3CCCCC3)c(=O)oc12
Show InChI InChI=1S/C18H21NO4/c1-2-22-15-10-6-7-12-11-14(18(21)23-16(12)15)17(20)19-13-8-4-3-5-9-13/h6-7,10-11,13H,2-5,8-9H2,1H3,(H,19,20)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Agonist activity at CB2 receptor (unknown origin) expressed in CHO cells by calcium mobilization assay

Eur J Med Chem 93: 16-32 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.054
BindingDB Entry DOI: 10.7270/Q28P626S
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))		BDBM50095892
PNG
(CHEMBL3590290)
Show SMILES CCCCCN1C(=O)\C(=C\NC2CCCCC2)C(=O)c2ccc(C)cc12
Show InChI InChI=1S/C22H30N2O2/c1-3-4-8-13-24-20-14-16(2)11-12-18(20)21(25)19(22(24)26)15-23-17-9-6-5-7-10-17/h11-12,14-15,17,23H,3-10,13H2,1-2H3/b19-15+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity against CB1R (unknown origin) CHO cells stably expressing Galpha16 assessed as inhibition of CP55940-induced increase in intracel...

J Med Chem 58: 5751-69 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00227
BindingDB Entry DOI: 10.7270/Q2Z039X8
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))		BDBM50040880
PNG
(CHEMBL3353802)
Show SMILES N#Cc1ccccc1CSc1nnc2c(n1)[nH]c1ccccc21
Show InChI InChI=1S/C17H11N5S/c18-9-11-5-1-2-6-12(11)10-23-17-20-16-15(21-22-17)13-7-3-4-8-14(13)19-16/h1-8H,10H2,(H,19,20,22)
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n/an/an/an/a 112n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Agonist activity at human CB2R expressed in CHO cells assessed as reduction in forskolin-induced cAMP accumulation by beta-galactosidase based comple...

Bioorg Med Chem 23: 241-63 (2014)


Article DOI: 10.1016/j.bmc.2014.11.002
BindingDB Entry DOI: 10.7270/Q2930VS3
More data for this
Ligand-Target Pair