BDBM50379698 CHEMBL2010901

SMILES: O=C(Nc1sc2COCCc2c1C(=O)N1CCOCC1)C12CC3CC1CC(C2)C3

InChI Key: InChIKey=MARHTPKNYNUSKT-UHFFFAOYSA-N

Data: 4 KI

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 = 50379698   

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 2 (Homo sapiens (Human))	BDBM50379698 (CHEMBL2010901) Show SMILES O=C(Nc1sc2COCCc2c1C(=O)N1CCOCC1)C12CC3CC1CC(C2)C3 |TLB:21:20:28.22.23:25,THB:1:20:28.22.23:25,21:22:25:27.20| Show InChI InChI=1S/C22H28N2O4S/c25-20(24-2-5-27-6-3-24)18-16-1-4-28-12-17(16)29-19(18)23-21(26)22-10-13-7-14(11-22)9-15(22)8-13/h13-15H,1-12H2,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	91.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins				Bioorg Med Chem Lett 22: 2604-8 (2012) Article DOI: 10.1016/j.bmcl.2012.01.121 BindingDB Entry DOI: 10.7270/Q2FN1765
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM50379698 (CHEMBL2010901) Show SMILES O=C(Nc1sc2COCCc2c1C(=O)N1CCOCC1)C12CC3CC1CC(C2)C3 |TLB:21:20:28.22.23:25,THB:1:20:28.22.23:25,21:22:25:27.20| Show InChI InChI=1S/C22H28N2O4S/c25-20(24-2-5-27-6-3-24)18-16-1-4-28-12-17(16)29-19(18)23-21(26)22-10-13-7-14(11-22)9-15(22)8-13/h13-15H,1-12H2,(H,23,26)	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from rat recombinant CB2 receptor expressed in HEK293 cells after 90 mins				Bioorg Med Chem Lett 22: 2604-8 (2012) Article DOI: 10.1016/j.bmcl.2012.01.121 BindingDB Entry DOI: 10.7270/Q2FN1765
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50379698 (CHEMBL2010901) Show SMILES O=C(Nc1sc2COCCc2c1C(=O)N1CCOCC1)C12CC3CC1CC(C2)C3 |TLB:21:20:28.22.23:25,THB:1:20:28.22.23:25,21:22:25:27.20| Show InChI InChI=1S/C22H28N2O4S/c25-20(24-2-5-27-6-3-24)18-16-1-4-28-12-17(16)29-19(18)23-21(26)22-10-13-7-14(11-22)9-15(22)8-13/h13-15H,1-12H2,(H,23,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells after 90 mins				Bioorg Med Chem Lett 22: 2604-8 (2012) Article DOI: 10.1016/j.bmcl.2012.01.121 BindingDB Entry DOI: 10.7270/Q2FN1765
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50379698 (CHEMBL2010901) Show SMILES O=C(Nc1sc2COCCc2c1C(=O)N1CCOCC1)C12CC3CC1CC(C2)C3 |TLB:21:20:28.22.23:25,THB:1:20:28.22.23:25,21:22:25:27.20| Show InChI InChI=1S/C22H28N2O4S/c25-20(24-2-5-27-6-3-24)18-16-1-4-28-12-17(16)29-19(18)23-21(26)22-10-13-7-14(11-22)9-15(22)8-13/h13-15H,1-12H2,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from rat recombinant CB1 receptor expressed in CHO cells after 90 mins				Bioorg Med Chem Lett 22: 2604-8 (2012) Article DOI: 10.1016/j.bmcl.2012.01.121 BindingDB Entry DOI: 10.7270/Q2FN1765
					More data for this Ligand-Target Pair