Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50013304   

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 (Rattus norvegicus (rat))	BDBM22988 ((5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCO Show InChI InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 5074 Curated by ChEMBL					Assay Description Binding affinity of the compound towards Cannabinoid receptor 1 in rat forebrain membranes using [3H]-CP-55,940 as radioligand				Bioorg Med Chem Lett 13: 1977-80 (2003) BindingDB Entry DOI: 10.7270/Q23X861T
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50128915 ((8Z,11Z,14Z)-1-Hydroxy-tricosa-8,11,14,17-tetraen-...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)CCCO Show InChI InChI=1S/C23H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(25)21-19-22-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-22H2,1H3/b7-6-,10-9-,13-12-,16-15-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 5074 Curated by ChEMBL					Assay Description Binding affinity of the compound towards Cannabinoid receptor 1 in rat forebrain membranes using [3H]-CP-55,940 as radioligand				Bioorg Med Chem Lett 13: 1977-80 (2003) BindingDB Entry DOI: 10.7270/Q23X861T
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50128914 ((12Z,15Z)-1-Hydroxy-henicosa-12,15-dien-4-one | CH...) Show SMILES CCCCC\C=C/C\C=C/CCCCCCCC(=O)CCCO Show InChI InChI=1S/C21H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(23)19-17-20-22/h6-7,9-10,22H,2-5,8,11-20H2,1H3/b7-6-,10-9-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 5074 Curated by ChEMBL					Assay Description Binding affinity of the compound towards Cannabinoid receptor 1 in rat forebrain membranes using [3H]-CP-55,940 as radioligand				Bioorg Med Chem Lett 13: 1977-80 (2003) BindingDB Entry DOI: 10.7270/Q23X861T
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50128912 ((5Z,8Z,11Z)-2,2-Dimethyl-icosa-5,8,11,14-tetraenoi...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCC(C)(C)C(=O)OCCO Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(2,3)23(26)27-22-21-25/h8-9,11-12,14-15,17-18,25H,4-7,10,13,16,19-22H2,1-3H3/b9-8-,12-11-,15-14-,18-17-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 5074 Curated by ChEMBL					Assay Description Binding affinity of the compound towards Cannabinoid receptor 1 in rat forebrain membranes using [3H]-CP-55,940 as radioligand				Bioorg Med Chem Lett 13: 1977-80 (2003) BindingDB Entry DOI: 10.7270/Q23X861T
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50128913 ((5Z,8Z,11Z)-Icosa-5,8,11,14-tetraenoic acid 2-hydr...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCCO Show InChI InChI=1S/C22H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)25-21-20-23/h6-7,9-10,12-13,15-16,23H,2-5,8,11,14,17-21H2,1H3/b7-6-,10-9-,13-12-,16-15-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 5074 Curated by ChEMBL					Assay Description Binding affinity of the compound towards Cannabinoid receptor 1 in rat forebrain membranes using [3H]-CP-55,940 as radioligand				Bioorg Med Chem Lett 13: 1977-80 (2003) BindingDB Entry DOI: 10.7270/Q23X861T
					More data for this Ligand-Target Pair