Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50060617'   

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 (Mus musculus (Mouse))	BDBM50060617 ((5Z,8Z,11Z,14Z)-2-Methyl-icosa-5,8,11,14-tetraenoi...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCC(C)C(=O)NCCF Show InChI InChI=1S/C23H38FNO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)23(26)25-21-20-24/h7-8,10-11,13-14,16-17,22H,3-6,9,12,15,18-21H2,1-2H3,(H,25,26)/b8-7-,11-10-,14-13-,17-16-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Organix, Inc. Curated by ChEMBL					Assay Description Binding affinity for Cannabinoid receptor 1 in presence of phenylmethylsulfonyl fluoride (PMSF)				J Med Chem 40: 3617-25 (1997) Article DOI: 10.1021/jm970212f BindingDB Entry DOI: 10.7270/Q2D50NNF
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50060617 ((5Z,8Z,11Z,14Z)-2-Methyl-icosa-5,8,11,14-tetraenoi...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCC(C)C(=O)NCCF Show InChI InChI=1S/C23H38FNO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)23(26)25-21-20-24/h7-8,10-11,13-14,16-17,22H,3-6,9,12,15,18-21H2,1-2H3,(H,25,26)/b8-7-,11-10-,14-13-,17-16-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity towards cannabinoid receptor in rat brain P2 membrane				Bioorg Med Chem Lett 7: 2669-2672 (1997) Article DOI: 10.1016/S0960-894X(97)10047-6 BindingDB Entry DOI: 10.7270/Q26Q1X8V
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50060617 ((5Z,8Z,11Z,14Z)-2-Methyl-icosa-5,8,11,14-tetraenoi...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCC(C)C(=O)NCCF Show InChI InChI=1S/C23H38FNO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)23(26)25-21-20-24/h7-8,10-11,13-14,16-17,22H,3-6,9,12,15,18-21H2,1-2H3,(H,25,26)/b8-7-,11-10-,14-13-,17-16-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Binding affinity towards cloned human Cannabinoid receptor 1				J Med Chem 43: 2300-9 (2000) Article DOI: 10.1021/jm991074s BindingDB Entry DOI: 10.7270/Q27H1N97
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50060617 ((5Z,8Z,11Z,14Z)-2-Methyl-icosa-5,8,11,14-tetraenoi...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCC(C)C(=O)NCCF Show InChI InChI=1S/C23H38FNO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)23(26)25-21-20-24/h7-8,10-11,13-14,16-17,22H,3-6,9,12,15,18-21H2,1-2H3,(H,25,26)/b8-7-,11-10-,14-13-,17-16-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Organix, Inc. Curated by ChEMBL					Assay Description Binding affinity for Cannabinoid receptor 1 in absence of phenylmethylsulfonyl fluoride (PMSF)				J Med Chem 40: 3617-25 (1997) Article DOI: 10.1021/jm970212f BindingDB Entry DOI: 10.7270/Q2D50NNF
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50060617 ((5Z,8Z,11Z,14Z)-2-Methyl-icosa-5,8,11,14-tetraenoi...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCC(C)C(=O)NCCF Show InChI InChI=1S/C23H38FNO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)23(26)25-21-20-24/h7-8,10-11,13-14,16-17,22H,3-6,9,12,15,18-21H2,1-2H3,(H,25,26)/b8-7-,11-10-,14-13-,17-16-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for agonist activity against B1 receptor in rat ileum longitudinal smooth muscle				Bioorg Med Chem Lett 7: 2669-2672 (1997) Article DOI: 10.1016/S0960-894X(97)10047-6 BindingDB Entry DOI: 10.7270/Q26Q1X8V
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50060617 ((5Z,8Z,11Z,14Z)-2-Methyl-icosa-5,8,11,14-tetraenoi...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCC(C)C(=O)NCCF Show InChI InChI=1S/C23H38FNO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)23(26)25-21-20-24/h7-8,10-11,13-14,16-17,22H,3-6,9,12,15,18-21H2,1-2H3,(H,25,26)/b8-7-,11-10-,14-13-,17-16-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	21.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity to displace [3H]-CP-55,940 radioligand from cannabinoid receptor in rat brain P2 membrane				Bioorg Med Chem Lett 7: 2669-2672 (1997) Article DOI: 10.1016/S0960-894X(97)10047-6 BindingDB Entry DOI: 10.7270/Q26Q1X8V
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50060617 ((5Z,8Z,11Z,14Z)-2-Methyl-icosa-5,8,11,14-tetraenoi...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCC(C)C(=O)NCCF Show InChI InChI=1S/C23H38FNO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)23(26)25-21-20-24/h7-8,10-11,13-14,16-17,22H,3-6,9,12,15,18-21H2,1-2H3,(H,25,26)/b8-7-,11-10-,14-13-,17-16-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity to displace [3H]-CP-55,940 radioligand from cannabinoid receptor in rat brain P2 membrane				Bioorg Med Chem Lett 7: 2669-2672 (1997) Article DOI: 10.1016/S0960-894X(97)10047-6 BindingDB Entry DOI: 10.7270/Q26Q1X8V
					More data for this Ligand-Target Pair