Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM50258570'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50258570 (CHEMBL466223 | N-(4-Methylcyclohexyl)-1-(2-morphol...) Show SMILES CC1CCC(CC1)NC(=O)c1cc2cccnc2n(CCN2CCOCC2)c1=O |(18.12,-5.63,;16.79,-6.4,;16.78,-7.94,;15.46,-8.71,;14.12,-7.93,;14.11,-6.4,;15.45,-5.63,;12.79,-8.71,;11.45,-7.94,;11.45,-6.4,;10.12,-8.71,;8.77,-7.94,;7.43,-8.72,;6.1,-7.96,;4.77,-8.73,;4.77,-10.28,;6.1,-11.05,;7.44,-10.28,;8.78,-11.05,;8.79,-12.59,;7.46,-13.36,;7.46,-14.9,;6.13,-15.67,;6.13,-17.21,;7.46,-17.98,;8.8,-17.21,;8.8,-15.66,;10.13,-10.27,;11.46,-11.03,)| Show InChI InChI=1S/C22H30N4O3/c1-16-4-6-18(7-5-16)24-21(27)19-15-17-3-2-8-23-20(17)26(22(19)28)10-9-25-11-13-29-14-12-25/h2-3,8,15-16,18H,4-7,9-14H2,1H3,(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description HEK293DHEK293iHEK293sHEK293pHEK293lHEK293aHEK293cHEK293eHEK293mHEK293eHEK293nHEK293tHEK293 HEK293oHEK293fHEK293 HEK293[HEK2933HEK293HHEK293]HEK293CHE...				J Med Chem 57: 8777-91 (2014) Article DOI: 10.1021/jm500807e BindingDB Entry DOI: 10.7270/Q2QC054S
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50258570 (CHEMBL466223 | N-(4-Methylcyclohexyl)-1-(2-morphol...) Show SMILES CC1CCC(CC1)NC(=O)c1cc2cccnc2n(CCN2CCOCC2)c1=O |(18.12,-5.63,;16.79,-6.4,;16.78,-7.94,;15.46,-8.71,;14.12,-7.93,;14.11,-6.4,;15.45,-5.63,;12.79,-8.71,;11.45,-7.94,;11.45,-6.4,;10.12,-8.71,;8.77,-7.94,;7.43,-8.72,;6.1,-7.96,;4.77,-8.73,;4.77,-10.28,;6.1,-11.05,;7.44,-10.28,;8.78,-11.05,;8.79,-12.59,;7.46,-13.36,;7.46,-14.9,;6.13,-15.67,;6.13,-17.21,;7.46,-17.98,;8.8,-17.21,;8.8,-15.66,;10.13,-10.27,;11.46,-11.03,)| Show InChI InChI=1S/C22H30N4O3/c1-16-4-6-18(7-5-16)24-21(27)19-15-17-3-2-8-23-20(17)26(22(19)28)10-9-25-11-13-29-14-12-25/h2-3,8,15-16,18H,4-7,9-14H2,1H3,(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells				J Med Chem 52: 3644-51 (2009) Article DOI: 10.1021/jm801563d BindingDB Entry DOI: 10.7270/Q2X0680K
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50258570 (CHEMBL466223 | N-(4-Methylcyclohexyl)-1-(2-morphol...) Show SMILES CC1CCC(CC1)NC(=O)c1cc2cccnc2n(CCN2CCOCC2)c1=O |(18.12,-5.63,;16.79,-6.4,;16.78,-7.94,;15.46,-8.71,;14.12,-7.93,;14.11,-6.4,;15.45,-5.63,;12.79,-8.71,;11.45,-7.94,;11.45,-6.4,;10.12,-8.71,;8.77,-7.94,;7.43,-8.72,;6.1,-7.96,;4.77,-8.73,;4.77,-10.28,;6.1,-11.05,;7.44,-10.28,;8.78,-11.05,;8.79,-12.59,;7.46,-13.36,;7.46,-14.9,;6.13,-15.67,;6.13,-17.21,;7.46,-17.98,;8.8,-17.21,;8.8,-15.66,;10.13,-10.27,;11.46,-11.03,)| Show InChI InChI=1S/C22H30N4O3/c1-16-4-6-18(7-5-16)24-21(27)19-15-17-3-2-8-23-20(17)26(22(19)28)10-9-25-11-13-29-14-12-25/h2-3,8,15-16,18H,4-7,9-14H2,1H3,(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description HEK293DHEK293iHEK293sHEK293pHEK293lHEK293aHEK293cHEK293eHEK293mHEK293eHEK293nHEK293tHEK293 HEK293oHEK293fHEK293 HEK293[HEK2933HEK293HHEK293]HEK293CHE...				J Med Chem 57: 8777-91 (2014) Article DOI: 10.1021/jm500807e BindingDB Entry DOI: 10.7270/Q2QC054S
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50258570 (CHEMBL466223 | N-(4-Methylcyclohexyl)-1-(2-morphol...) Show SMILES CC1CCC(CC1)NC(=O)c1cc2cccnc2n(CCN2CCOCC2)c1=O |(18.12,-5.63,;16.79,-6.4,;16.78,-7.94,;15.46,-8.71,;14.12,-7.93,;14.11,-6.4,;15.45,-5.63,;12.79,-8.71,;11.45,-7.94,;11.45,-6.4,;10.12,-8.71,;8.77,-7.94,;7.43,-8.72,;6.1,-7.96,;4.77,-8.73,;4.77,-10.28,;6.1,-11.05,;7.44,-10.28,;8.78,-11.05,;8.79,-12.59,;7.46,-13.36,;7.46,-14.9,;6.13,-15.67,;6.13,-17.21,;7.46,-17.98,;8.8,-17.21,;8.8,-15.66,;10.13,-10.27,;11.46,-11.03,)| Show InChI InChI=1S/C22H30N4O3/c1-16-4-6-18(7-5-16)24-21(27)19-15-17-3-2-8-23-20(17)26(22(19)28)10-9-25-11-13-29-14-12-25/h2-3,8,15-16,18H,4-7,9-14H2,1H3,(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	18	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Agonist activity at human recombinant CB2R expressed in U2OS cells assessed as beta-arrestin-GFP binding to receptor after 25 mins by fluorescent mic...				J Med Chem 57: 8777-91 (2014) Article DOI: 10.1021/jm500807e BindingDB Entry DOI: 10.7270/Q2QC054S
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50258570 (CHEMBL466223 | N-(4-Methylcyclohexyl)-1-(2-morphol...) Show SMILES CC1CCC(CC1)NC(=O)c1cc2cccnc2n(CCN2CCOCC2)c1=O |(18.12,-5.63,;16.79,-6.4,;16.78,-7.94,;15.46,-8.71,;14.12,-7.93,;14.11,-6.4,;15.45,-5.63,;12.79,-8.71,;11.45,-7.94,;11.45,-6.4,;10.12,-8.71,;8.77,-7.94,;7.43,-8.72,;6.1,-7.96,;4.77,-8.73,;4.77,-10.28,;6.1,-11.05,;7.44,-10.28,;8.78,-11.05,;8.79,-12.59,;7.46,-13.36,;7.46,-14.9,;6.13,-15.67,;6.13,-17.21,;7.46,-17.98,;8.8,-17.21,;8.8,-15.66,;10.13,-10.27,;11.46,-11.03,)| Show InChI InChI=1S/C22H30N4O3/c1-16-4-6-18(7-5-16)24-21(27)19-15-17-3-2-8-23-20(17)26(22(19)28)10-9-25-11-13-29-14-12-25/h2-3,8,15-16,18H,4-7,9-14H2,1H3,(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	28	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Agonist activity at human recombinant CB2R expressed in WIN-55212-stimulated U2OS cells assessed as reduction in forskolin-mediated cAMP level after ...				J Med Chem 57: 8777-91 (2014) Article DOI: 10.1021/jm500807e BindingDB Entry DOI: 10.7270/Q2QC054S
					More data for this Ligand-Target Pair