Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50200838'   

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))	BDBM50200838 (CHEMBL217862 | N-((2S,3S)-4-(4-chlorophenyl)-3-phe...) Show SMILES C[C@H](NC(=O)C(C)(C)Oc1ccccc1)[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 |r| Show InChI InChI=1S/C26H28ClNO2/c1-19(28-25(29)26(2,3)30-23-12-8-5-9-13-23)24(21-10-6-4-7-11-21)18-20-14-16-22(27)17-15-20/h4-17,19,24H,18H2,1-3H3,(H,28,29)/t19-,24+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [3H]CP-55940 binding to human recombinant CB1 receptor in CHO cells				J Med Chem 49: 7584-7 (2006) Article DOI: 10.1021/jm060996+ BindingDB Entry DOI: 10.7270/Q2QN67KG
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50200838 (CHEMBL217862 | N-((2S,3S)-4-(4-chlorophenyl)-3-phe...) Show SMILES C[C@H](NC(=O)C(C)(C)Oc1ccccc1)[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 |r| Show InChI InChI=1S/C26H28ClNO2/c1-19(28-25(29)26(2,3)30-23-12-8-5-9-13-23)24(21-10-6-4-7-11-21)18-20-14-16-22(27)17-15-20/h4-17,19,24H,18H2,1-3H3,(H,28,29)/t19-,24+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of radiolabeled CP5549 binding to human Cannabinoid receptor 1 expressed in CHO cells by competition assay				J Med Chem 63: 6276-6302 (2020) Article DOI: 10.1021/acs.jmedchem.9b00917 BindingDB Entry DOI: 10.7270/Q2TT4VHX
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50200838 (CHEMBL217862 | N-((2S,3S)-4-(4-chlorophenyl)-3-phe...) Show SMILES C[C@H](NC(=O)C(C)(C)Oc1ccccc1)[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 |r| Show InChI InChI=1S/C26H28ClNO2/c1-19(28-25(29)26(2,3)30-23-12-8-5-9-13-23)24(21-10-6-4-7-11-21)18-20-14-16-22(27)17-15-20/h4-17,19,24H,18H2,1-3H3,(H,28,29)/t19-,24+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.03	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cells				J Med Chem 51: 4359-69 (2008) Article DOI: 10.1021/jm800219f BindingDB Entry DOI: 10.7270/Q28915N5
					More data for this Ligand-Target Pair