BDBM50078770 CHEMBL3416129

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

InChI Key: InChIKey=NVPHKWABHSTCKM-CVTFBFMWSA-N

Data: 3 KI  1 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 4 hits for monomerid = 50078770   

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))	BDBM50078770 (CHEMBL3416129) Show SMILES [H][C@@]12C[C@H](O)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)[C@]12CC3CC(C[C@@](CN=[N+]=[N-])(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/C26H35N3O3/c1-24(2)20-4-3-18(30)8-19(20)23-21(31)6-17(7-22(23)32-24)26-11-15-5-16(12-26)10-25(9-15,13-26)14-28-29-27/h6-7,15-16,18-20,30-31H,3-5,8-14H2,1-2H3/t15?,16?,18-,19-,20-,25-,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.40	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))	BDBM50078770 (CHEMBL3416129) Show SMILES [H][C@@]12C[C@H](O)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)[C@]12CC3CC(C[C@@](CN=[N+]=[N-])(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/C26H35N3O3/c1-24(2)20-4-3-18(30)8-19(20)23-21(31)6-17(7-22(23)32-24)26-11-15-5-16(12-26)10-25(9-15,13-26)14-28-29-27/h6-7,15-16,18-20,30-31H,3-5,8-14H2,1-2H3/t15?,16?,18-,19-,20-,25-,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.60	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)	BDBM50078770 (CHEMBL3416129) Show SMILES [H][C@@]12C[C@H](O)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)[C@]12CC3CC(C[C@@](CN=[N+]=[N-])(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/C26H35N3O3/c1-24(2)20-4-3-18(30)8-19(20)23-21(31)6-17(7-22(23)32-24)26-11-15-5-16(12-26)10-25(9-15,13-26)14-28-29-27/h6-7,15-16,18-20,30-31H,3-5,8-14H2,1-2H3/t15?,16?,18-,19-,20-,25-,26-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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 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))	BDBM50078770 (CHEMBL3416129) Show SMILES [H][C@@]12C[C@H](O)CC[C@@]1([H])C(C)(C)Oc1cc(cc(O)c21)[C@]12CC3CC(C[C@@](CN=[N+]=[N-])(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/C26H35N3O3/c1-24(2)20-4-3-18(30)8-19(20)23-21(31)6-17(7-22(23)32-24)26-11-15-5-16(12-26)10-25(9-15,13-26)14-28-29-27/h6-7,15-16,18-20,30-31H,3-5,8-14H2,1-2H3/t15?,16?,18-,19-,20-,25-,26-/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	2.40	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