BDBM50040943 CHEMBL3353842

SMILES: O=C(C1CCCC1)n1c2ccccc2c2nnc(SCc3ccccc3C#N)nc12

InChI Key: InChIKey=RGXQTRUQYBCUAT-UHFFFAOYSA-N

Data: 2 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 3 hits for monomerid = 50040943   

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))	BDBM50040943 (CHEMBL3353842) Show SMILES O=C(C1CCCC1)n1c2ccccc2c2nnc(SCc3ccccc3C#N)nc12 Show InChI InChI=1S/C23H19N5OS/c24-13-16-9-3-4-10-17(16)14-30-23-25-21-20(26-27-23)18-11-5-6-12-19(18)28(21)22(29)15-7-1-2-8-15/h3-6,9-12,15H,1-2,7-8,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Displacement of [3H]WIN-55212-2 from human CB2R expressed in CHO cells				Bioorg Med Chem 23: 241-63 (2014) Article DOI: 10.1016/j.bmc.2014.11.002 BindingDB Entry DOI: 10.7270/Q2930VS3
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50040943 (CHEMBL3353842) Show SMILES O=C(C1CCCC1)n1c2ccccc2c2nnc(SCc3ccccc3C#N)nc12 Show InChI InChI=1S/C23H19N5OS/c24-13-16-9-3-4-10-17(16)14-30-23-25-21-20(26-27-23)18-11-5-6-12-19(18)28(21)22(29)15-7-1-2-8-15/h3-6,9-12,15H,1-2,7-8,14H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1R expressed in CHO cells				Bioorg Med Chem 23: 241-63 (2014) Article DOI: 10.1016/j.bmc.2014.11.002 BindingDB Entry DOI: 10.7270/Q2930VS3
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50040943 (CHEMBL3353842) Show SMILES O=C(C1CCCC1)n1c2ccccc2c2nnc(SCc3ccccc3C#N)nc12 Show InChI InChI=1S/C23H19N5OS/c24-13-16-9-3-4-10-17(16)14-30-23-25-21-20(26-27-23)18-11-5-6-12-19(18)28(21)22(29)15-7-1-2-8-15/h3-6,9-12,15H,1-2,7-8,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	49	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Agonist activity at human CB2R expressed in CHO cells assessed as reduction in forskolin-induced cAMP accumulation by beta-galactosidase based comple...				Bioorg Med Chem 23: 241-63 (2014) Article DOI: 10.1016/j.bmc.2014.11.002 BindingDB Entry DOI: 10.7270/Q2930VS3
					More data for this Ligand-Target Pair