Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for entry = 50030229   

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))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier I Curated by ChEMBL					Assay Description Displacement of [3H]CP55-940 from human recombinant CB1 receptor expressed in COS cells				J Med Chem 52: 1005-17 (2009) Article DOI: 10.1021/jm8011382 BindingDB Entry DOI: 10.7270/Q2GF0TH3
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	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 UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier I Curated by ChEMBL					Assay Description Displacement of [3H]CP55-940 from human recombinant CB2 receptor expressed in COS cells				J Med Chem 52: 1005-17 (2009) Article DOI: 10.1021/jm8011382 BindingDB Entry DOI: 10.7270/Q2GF0TH3
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50292882 ((3Z,6Z,9Z,12Z)-17-((R)-1-hydroxypropan-2-ylamino)-...) Show SMILES C[C@H](CO)NC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCOC(=O)c1cccc2OC(C)(Oc12)C(C)(C)C |r| Show InChI InChI=1S/C33H47NO6/c1-26(25-35)34-29(36)23-18-16-14-12-10-8-6-7-9-11-13-15-17-19-24-38-31(37)27-21-20-22-28-30(27)40-33(5,39-28)32(2,3)4/h6,8-9,11-12,14-15,17,20-22,26,35H,7,10,13,16,18-19,23-25H2,1-5H3,(H,34,36)/b8-6-,11-9-,14-12-,17-15-/t26-,33?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier I Curated by ChEMBL					Assay Description Displacement of [3H]CP55-940 from human recombinant CB2 receptor expressed in COS cells				J Med Chem 52: 1005-17 (2009) Article DOI: 10.1021/jm8011382 BindingDB Entry DOI: 10.7270/Q2GF0TH3
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50292882 ((3Z,6Z,9Z,12Z)-17-((R)-1-hydroxypropan-2-ylamino)-...) Show SMILES C[C@H](CO)NC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCOC(=O)c1cccc2OC(C)(Oc12)C(C)(C)C |r| Show InChI InChI=1S/C33H47NO6/c1-26(25-35)34-29(36)23-18-16-14-12-10-8-6-7-9-11-13-15-17-19-24-38-31(37)27-21-20-22-28-30(27)40-33(5,39-28)32(2,3)4/h6,8-9,11-12,14-15,17,20-22,26,35H,7,10,13,16,18-19,23-25H2,1-5H3,(H,34,36)/b8-6-,11-9-,14-12-,17-15-/t26-,33?/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montpellier I Curated by ChEMBL					Assay Description Displacement of [3H]CP55-940 from human recombinant CB1 receptor expressed in COS cells				J Med Chem 52: 1005-17 (2009) Article DOI: 10.1021/jm8011382 BindingDB Entry DOI: 10.7270/Q2GF0TH3
					More data for this Ligand-Target Pair