Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for entry = 50045903   

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))	BDBM50088439 (CHEMBL3526578) Show SMILES FCCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C24H22FNO/c25-15-6-1-7-16-26-17-22(20-12-4-5-14-23(20)26)24(27)21-13-8-10-18-9-2-3-11-19(18)21/h2-5,8-14,17H,1,6-7,15-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.395	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas for Medical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from CB1 receptor in B6SJL mouse brain membrane after 90 mins by liquid scintillation spectrophotometric analysis				Drug Metab Dispos 40: 2174-84 (2012) Article DOI: 10.1124/dmd.112.047530 BindingDB Entry DOI: 10.7270/Q23R0VK3
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50353747 (CHEMBL561013 | JWH-018) Show SMILES CCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C24H23NO/c1-2-3-8-16-25-17-22(20-13-6-7-15-23(20)25)24(26)21-14-9-11-18-10-4-5-12-19(18)21/h4-7,9-15,17H,2-3,8,16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas for Medical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from CB1 receptor in B6SJL mouse brain membrane after 90 mins by liquid scintillation spectrophotometric analysis				Drug Metab Dispos 40: 2174-84 (2012) Article DOI: 10.1124/dmd.112.047530 BindingDB Entry DOI: 10.7270/Q23R0VK3
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM60994 ((10R,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tet...) Show SMILES CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:11| Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas for Medical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from CB1 receptor in B6SJL mouse brain membrane after 90 mins by liquid scintillation spectrophotometric analysis				Drug Metab Dispos 40: 2174-84 (2012) Article DOI: 10.1124/dmd.112.047530 BindingDB Entry DOI: 10.7270/Q23R0VK3
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50088440 (CHEMBL3526291) Show SMILES CC(O)CCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C24H23NO2/c1-17(26)8-7-15-25-16-22(20-12-4-5-14-23(20)25)24(27)21-13-6-10-18-9-2-3-11-19(18)21/h2-6,9-14,16-17,26H,7-8,15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas for Medical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from CB1 receptor in B6SJL mouse brain membrane after 90 mins by liquid scintillation spectrophotometric analysis				Drug Metab Dispos 40: 2174-84 (2012) Article DOI: 10.1124/dmd.112.047530 BindingDB Entry DOI: 10.7270/Q23R0VK3
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50088444 (CHEMBL3526177) Show SMILES OCCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C24H23NO2/c26-16-7-1-6-15-25-17-22(20-12-4-5-14-23(20)25)24(27)21-13-8-10-18-9-2-3-11-19(18)21/h2-5,8-14,17,26H,1,6-7,15-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas for Medical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from CB1 receptor in B6SJL mouse brain membrane after 90 mins by liquid scintillation spectrophotometric analysis				Drug Metab Dispos 40: 2174-84 (2012) Article DOI: 10.1124/dmd.112.047530 BindingDB Entry DOI: 10.7270/Q23R0VK3
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Mus musculus (Mouse))	BDBM50088441 (CHEMBL3526290) Show SMILES OC(=O)CCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C24H21NO3/c26-23(27)14-5-6-15-25-16-21(19-11-3-4-13-22(19)25)24(28)20-12-7-9-17-8-1-2-10-18(17)20/h1-4,7-13,16H,5-6,14-15H2,(H,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas for Medical Sciences Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from CB1 receptor in B6SJL mouse brain membrane after 90 mins by liquid scintillation spectrophotometric analysis				Drug Metab Dispos 40: 2174-84 (2012) Article DOI: 10.1124/dmd.112.047530 BindingDB Entry DOI: 10.7270/Q23R0VK3
					More data for this Ligand-Target Pair