Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM227552'   

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 1 (Homo sapiens (Human))	BDBM227552 (US9339486, CP55,940) Show SMILES CCCCCCC(C)(C)c1ccc(C2CC(O)CCC2CCCO)c(O)c1 Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB US Patent	3.40	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
The Cleveland Clinic Foundation US Patent					Assay Description Cell membrane homogenates (25 μg protein) were incubated for 120 min at 37° C. with 0.5 nM [3H]CP 55940 (the reference standard [Rinaldi-Carmona...				US Patent US9339486 (2016) BindingDB Entry DOI: 10.7270/Q2DN43W9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM227552 (US9339486, CP55,940) Show SMILES CCCCCCC(C)(C)c1ccc(C2CC(O)CCC2CCCO)c(O)c1 Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	n/a	n/a	0.140	n/a	n/a	n/a	n/a
The Cleveland Clinic Foundation US Patent					Assay Description The compound of Example 3 was tested for agonist activity at the rat CB1 (rCB1) and rCB2 receptors, at eight concentrations, in duplicate: 10, 3, 1, ...				US Patent US9339486 (2016) BindingDB Entry DOI: 10.7270/Q2DN43W9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM227552 (US9339486, CP55,940) Show SMILES CCCCCCC(C)(C)c1ccc(C2CC(O)CCC2CCCO)c(O)c1 Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
The Cleveland Clinic Foundation US Patent					Assay Description Functional activity was evaluated using GTPγ[35S] assay in CHO membrane extracts expressing recombinant hCB1 (human CB1) receptors or hCB2 (huma...				US Patent US9339486 (2016) BindingDB Entry DOI: 10.7270/Q2DN43W9
					More data for this Ligand-Target Pair				3D Structure (crystal)