Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50015729   

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))	BDBM85739 (CHEMBL178372 | JTE-907 | N-(1,3-Benzodioxole-5-ylm...) Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCc3ccc4OCOc4c3)c(=O)[nH]c12 Show InChI InChI=1S/C24H26N2O6/c1-3-4-5-10-30-22-19(29-2)9-7-16-12-17(24(28)26-21(16)22)23(27)25-13-15-6-8-18-20(11-15)32-14-31-18/h6-9,11-12H,3-5,10,13-14H2,1-2H3,(H,25,27)(H,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity for cannabinoid receptor 2				Bioorg Med Chem Lett 15: 783-6 (2005) Article DOI: 10.1016/j.bmcl.2004.11.007 BindingDB Entry DOI: 10.7270/Q2MW2GN7
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM85739 (CHEMBL178372 | JTE-907 | N-(1,3-Benzodioxole-5-ylm...) Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCc3ccc4OCOc4c3)c(=O)[nH]c12 Show InChI InChI=1S/C24H26N2O6/c1-3-4-5-10-30-22-19(29-2)9-7-16-12-17(24(28)26-21(16)22)23(27)25-13-15-6-8-18-20(11-15)32-14-31-18/h6-9,11-12H,3-5,10,13-14H2,1-2H3,(H,25,27)(H,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	35.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity for cannabinoid receptor 2				Bioorg Med Chem Lett 15: 783-6 (2005) Article DOI: 10.1016/j.bmcl.2004.11.007 BindingDB Entry DOI: 10.7270/Q2MW2GN7
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM85739 (CHEMBL178372 | JTE-907 | N-(1,3-Benzodioxole-5-ylm...) Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCc3ccc4OCOc4c3)c(=O)[nH]c12 Show InChI InChI=1S/C24H26N2O6/c1-3-4-5-10-30-22-19(29-2)9-7-16-12-17(24(28)26-21(16)22)23(27)25-13-15-6-8-18-20(11-15)32-14-31-18/h6-9,11-12H,3-5,10,13-14H2,1-2H3,(H,25,27)(H,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	35.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity for cannabinoid receptor 2				Bioorg Med Chem Lett 15: 783-6 (2005) Article DOI: 10.1016/j.bmcl.2004.11.007 BindingDB Entry DOI: 10.7270/Q2MW2GN7
					More data for this Ligand-Target Pair