BDBM50078769 CHEMBL3416128

SMILES: [H][C@@]12C[C@H](O)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)[C@]12CC3CC(C[C@@](CN=C=S)(C3)C1)C2

InChI Key: InChIKey=JGIIYHSPDBHDIX-MGLSJTDTSA-N

Data: 3 KI  2 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50078769   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50078769 (CHEMBL3416128) Show SMILES [H][C@@]12C[C@H](O)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)[C@]12CC3CC(C[C@@](CN=C=S)(C3)C1)C2 |r,THB:23:22:33.24.25:32,25:24:21:26.32.31,25:26:21:33.24.23,27:26:21:33.24.23| Show InChI InChI=1S/C27H35NO3S/c1-25(2)21-4-3-19(29)8-20(21)24-22(30)6-18(7-23(24)31-25)27-11-16-5-17(12-27)10-26(9-16,13-27)14-28-15-32/h6-7,16-17,19-21,29-30H,3-5,8-14H2,1-2H3/t16?,17?,19-,20-,21-,26-,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Hawaii at Manoa Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from CB1 receptor in rat brain membranes				J Med Chem 58: 3104-16 (2015) Article DOI: 10.1021/jm501960u BindingDB Entry DOI: 10.7270/Q22R3TBC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50078769 (CHEMBL3416128) Show SMILES [H][C@@]12C[C@H](O)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)[C@]12CC3CC(C[C@@](CN=C=S)(C3)C1)C2 |r,THB:23:22:33.24.25:32,25:24:21:26.32.31,25:26:21:33.24.23,27:26:21:33.24.23| Show InChI InChI=1S/C27H35NO3S/c1-25(2)21-4-3-19(29)8-20(21)24-22(30)6-18(7-23(24)31-25)27-11-16-5-17(12-27)10-26(9-16,13-27)14-28-15-32/h6-7,16-17,19-21,29-30H,3-5,8-14H2,1-2H3/t16?,17?,19-,20-,21-,26-,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Hawaii at Manoa Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from human CB2 receptor expressed in HEK293 cell membranes				J Med Chem 58: 3104-16 (2015) Article DOI: 10.1021/jm501960u BindingDB Entry DOI: 10.7270/Q22R3TBC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (MOUSE)	BDBM50078769 (CHEMBL3416128) Show SMILES [H][C@@]12C[C@H](O)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)[C@]12CC3CC(C[C@@](CN=C=S)(C3)C1)C2 |r,THB:23:22:33.24.25:32,25:24:21:26.32.31,25:26:21:33.24.23,27:26:21:33.24.23| Show InChI InChI=1S/C27H35NO3S/c1-25(2)21-4-3-19(29)8-20(21)24-22(30)6-18(7-23(24)31-25)27-11-16-5-17(12-27)10-26(9-16,13-27)14-28-15-32/h6-7,16-17,19-21,29-30H,3-5,8-14H2,1-2H3/t16?,17?,19-,20-,21-,26-,27-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Hawaii at Manoa Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in HEK293 cell membranes				J Med Chem 58: 3104-16 (2015) Article DOI: 10.1021/jm501960u BindingDB Entry DOI: 10.7270/Q22R3TBC
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50078769 (CHEMBL3416128) Show SMILES [H][C@@]12C[C@H](O)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)[C@]12CC3CC(C[C@@](CN=C=S)(C3)C1)C2 |r,THB:23:22:33.24.25:32,25:24:21:26.32.31,25:26:21:33.24.23,27:26:21:33.24.23| Show InChI InChI=1S/C27H35NO3S/c1-25(2)21-4-3-19(29)8-20(21)24-22(30)6-18(7-23(24)31-25)27-11-16-5-17(12-27)10-26(9-16,13-27)14-28-15-32/h6-7,16-17,19-21,29-30H,3-5,8-14H2,1-2H3/t16?,17?,19-,20-,21-,26-,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.800	n/a	n/a	n/a	n/a
University of Hawaii at Manoa Curated by ChEMBL					Assay Description Agonist activity at rat CB1 receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 60 mins				J Med Chem 58: 3104-16 (2015) Article DOI: 10.1021/jm501960u BindingDB Entry DOI: 10.7270/Q22R3TBC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50078769 (CHEMBL3416128) Show SMILES [H][C@@]12C[C@H](O)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)[C@]12CC3CC(C[C@@](CN=C=S)(C3)C1)C2 |r,THB:23:22:33.24.25:32,25:24:21:26.32.31,25:26:21:33.24.23,27:26:21:33.24.23| Show InChI InChI=1S/C27H35NO3S/c1-25(2)21-4-3-19(29)8-20(21)24-22(30)6-18(7-23(24)31-25)27-11-16-5-17(12-27)10-26(9-16,13-27)14-28-15-32/h6-7,16-17,19-21,29-30H,3-5,8-14H2,1-2H3/t16?,17?,19-,20-,21-,26-,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>400	n/a	n/a	n/a	n/a
University of Hawaii at Manoa Curated by ChEMBL					Assay Description Inverse agonist activity at human CB2 receptor expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for ...				J Med Chem 58: 3104-16 (2015) Article DOI: 10.1021/jm501960u BindingDB Entry DOI: 10.7270/Q22R3TBC
					More data for this Ligand-Target Pair