BDBM50379697 CHEMBL2010904

SMILES: CCCNC(=O)c1c(NC(=O)C23CC4CC2CC(C3)C4)sc2CN(C)CCc12

InChI Key: InChIKey=ORBXXIQKZFKULT-UHFFFAOYSA-N

Data: 3 KI  1 IC50

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 = 50379697   

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 (Rattus norvegicus (Rat))	BDBM50379697 (CHEMBL2010904) Show SMILES CCCNC(=O)c1c(NC(=O)C23CC4CC2CC(C3)C4)sc2CN(C)CCc12 |TLB:12:11:19.13.14:16,THB:9:11:19.13.14:16,12:13:16:18.11| Show InChI InChI=1S/C22H31N3O2S/c1-3-5-23-19(26)18-16-4-6-25(2)12-17(16)28-20(18)24-21(27)22-10-13-7-14(11-22)9-15(22)8-13/h13-15H,3-12H2,1-2H3,(H,23,26)(H,24,27)	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.89	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 2 (Homo sapiens (Human))	BDBM50379697 (CHEMBL2010904) Show SMILES CCCNC(=O)c1c(NC(=O)C23CC4CC2CC(C3)C4)sc2CN(C)CCc12 |TLB:12:11:19.13.14:16,THB:9:11:19.13.14:16,12:13:16:18.11| Show InChI InChI=1S/C22H31N3O2S/c1-3-5-23-19(26)18-16-4-6-25(2)12-17(16)28-20(18)24-21(27)22-10-13-7-14(11-22)9-15(22)8-13/h13-15H,3-12H2,1-2H3,(H,23,26)(H,24,27)	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 1 (Homo sapiens (Human))	BDBM50379697 (CHEMBL2010904) Show SMILES CCCNC(=O)c1c(NC(=O)C23CC4CC2CC(C3)C4)sc2CN(C)CCc12 |TLB:12:11:19.13.14:16,THB:9:11:19.13.14:16,12:13:16:18.11| Show InChI InChI=1S/C22H31N3O2S/c1-3-5-23-19(26)18-16-4-6-25(2)12-17(16)28-20(18)24-21(27)22-10-13-7-14(11-22)9-15(22)8-13/h13-15H,3-12H2,1-2H3,(H,23,26)(H,24,27)	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 2 (Homo sapiens (Human))	BDBM50379697 (CHEMBL2010904) Show SMILES CCCNC(=O)c1c(NC(=O)C23CC4CC2CC(C3)C4)sc2CN(C)CCc12 |TLB:12:11:19.13.14:16,THB:9:11:19.13.14:16,12:13:16:18.11| Show InChI InChI=1S/C22H31N3O2S/c1-3-5-23-19(26)18-16-4-6-25(2)12-17(16)28-20(18)24-21(27)22-10-13-7-14(11-22)9-15(22)8-13/h13-15H,3-12H2,1-2H3,(H,23,26)(H,24,27)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Agonist activity at human recombinant CB2 receptor expressed in HEK293 cells co-expressing chimeric Gaq/o protein by FLIPR assay				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