Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for entry = 50003378   

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 1/2 (Rattus norvegicus (Rat)-Rattus norvegicus (rat))	BDBM50054472 ((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid ((...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)N[C@H](C)CO |r| Show InChI InChI=1S/C23H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(26)24-22(2)21-25/h7-8,10-11,13-14,16-17,22,25H,3-6,9,12,15,18-21H2,1-2H3,(H,24,26)/b8-7-,11-10-,14-13-,17-16-/t22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Binding affinity for the cannabinoid receptor in the presence of phenylmethanesulfonyl fluoride (PMSF) was determined in rat fore brain membranes				J Med Chem 37: 1889-93 (1994) Article DOI: 10.1021/jm00038a020 BindingDB Entry DOI: 10.7270/Q2JQ13QV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1/2 (Rattus norvegicus (Rat)-Rattus norvegicus (rat))	BDBM50060622 ((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid ((...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NC[C@H](C)O Show InChI InChI=1S/C23H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(26)24-21-22(2)25/h7-8,10-11,13-14,16-17,22,25H,3-6,9,12,15,18-21H2,1-2H3,(H,24,26)/b8-7-,11-10-,14-13-,17-16-/t22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Binding affinity for the cannabinoid receptor in the presence of phenylmethanesulfonyl fluoride (PMSF) was determined in rat fore brain membranes				J Med Chem 37: 1889-93 (1994) Article DOI: 10.1021/jm00038a020 BindingDB Entry DOI: 10.7270/Q2JQ13QV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1/2 (Rattus norvegicus (Rat)-Rattus norvegicus (rat))	BDBM50054472 ((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid ((...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)N[C@H](C)CO |r| Show InChI InChI=1S/C23H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(26)24-22(2)21-25/h7-8,10-11,13-14,16-17,22,25H,3-6,9,12,15,18-21H2,1-2H3,(H,24,26)/b8-7-,11-10-,14-13-,17-16-/t22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Binding affinity for the cannabinoid receptor in the absence of phenylmethanesulfonyl fluoride (PMSF) was determined in rat fore brain membranes				J Med Chem 37: 1889-93 (1994) Article DOI: 10.1021/jm00038a020 BindingDB Entry DOI: 10.7270/Q2JQ13QV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1/2 (Rattus norvegicus (Rat)-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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Binding affinity for the cannabinoid receptor in the presence of phenylmethanesulfonyl fluoride (PMSF) was determined in rat fore brain membranes				J Med Chem 37: 1889-93 (1994) Article DOI: 10.1021/jm00038a020 BindingDB Entry DOI: 10.7270/Q2JQ13QV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1/2 (Rattus norvegicus (Rat)-Rattus norvegicus (rat))	BDBM50072767 ((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid ((...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NC[C@@H](C)O Show InChI InChI=1S/C23H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(26)24-21-22(2)25/h7-8,10-11,13-14,16-17,22,25H,3-6,9,12,15,18-21H2,1-2H3,(H,24,26)/b8-7-,11-10-,14-13-,17-16-/t22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	119	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Binding affinity for the cannabinoid receptor in the presence of phenylmethanesulfonyl fluoride (PMSF) was determined in rat fore brain membranes				J Med Chem 37: 1889-93 (1994) Article DOI: 10.1021/jm00038a020 BindingDB Entry DOI: 10.7270/Q2JQ13QV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1/2 (Rattus norvegicus (Rat)-Rattus norvegicus (rat))	BDBM50060622 ((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid ((...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NC[C@H](C)O Show InChI InChI=1S/C23H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(26)24-21-22(2)25/h7-8,10-11,13-14,16-17,22,25H,3-6,9,12,15,18-21H2,1-2H3,(H,24,26)/b8-7-,11-10-,14-13-,17-16-/t22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Binding affinity for the cannabinoid receptor in the absence of phenylmethanesulfonyl fluoride (PMSF) was determined in rat fore brain membranes				J Med Chem 37: 1889-93 (1994) Article DOI: 10.1021/jm00038a020 BindingDB Entry DOI: 10.7270/Q2JQ13QV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1/2 (Rattus norvegicus (Rat)-Rattus norvegicus (rat))	BDBM50072768 ((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid ((...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)N[C@@H](C)CO Show InChI InChI=1S/C23H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(26)24-22(2)21-25/h7-8,10-11,13-14,16-17,22,25H,3-6,9,12,15,18-21H2,1-2H3,(H,24,26)/b8-7-,11-10-,14-13-,17-16-/t22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	173	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Binding affinity for the cannabinoid receptor in the presence of phenylmethanesulfonyl fluoride (PMSF) was determined in rat fore brain membranes				J Med Chem 37: 1889-93 (1994) Article DOI: 10.1021/jm00038a020 BindingDB Entry DOI: 10.7270/Q2JQ13QV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1/2 (Rattus norvegicus (Rat)-Rattus norvegicus (rat))	BDBM50072768 ((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid ((...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)N[C@@H](C)CO Show InChI InChI=1S/C23H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(26)24-22(2)21-25/h7-8,10-11,13-14,16-17,22,25H,3-6,9,12,15,18-21H2,1-2H3,(H,24,26)/b8-7-,11-10-,14-13-,17-16-/t22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	268	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Binding affinity for the cannabinoid receptor in the absence of phenylmethanesulfonyl fluoride (PMSF) was determined in rat fore brain membranes				J Med Chem 37: 1889-93 (1994) Article DOI: 10.1021/jm00038a020 BindingDB Entry DOI: 10.7270/Q2JQ13QV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1/2 (Rattus norvegicus (Rat)-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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	>1.18E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Binding affinity for the cannabinoid receptor in the absence of phenylmethanesulfonyl fluoride (PMSF) was determined in rat fore brain membranes				J Med Chem 37: 1889-93 (1994) Article DOI: 10.1021/jm00038a020 BindingDB Entry DOI: 10.7270/Q2JQ13QV
					More data for this Ligand-Target Pair
Cannabinoid receptor 1/2 (Rattus norvegicus (Rat)-Rattus norvegicus (rat))	BDBM50072767 ((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid ((...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NC[C@@H](C)O Show InChI InChI=1S/C23H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(26)24-21-22(2)25/h7-8,10-11,13-14,16-17,22,25H,3-6,9,12,15,18-21H2,1-2H3,(H,24,26)/b8-7-,11-10-,14-13-,17-16-/t22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.95E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Binding affinity for the cannabinoid receptor in the absence of phenylmethanesulfonyl fluoride (PMSF) was determined in rat fore brain membranes				J Med Chem 37: 1889-93 (1994) Article DOI: 10.1021/jm00038a020 BindingDB Entry DOI: 10.7270/Q2JQ13QV
					More data for this Ligand-Target Pair