BDBM50154633 CHEMBL3774454

SMILES: CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(SC)nc12

InChI Key: InChIKey=NMBFEWCMSLJPST-UHFFFAOYSA-N

Data: 2 KI  1 IC50  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 = 50154633   

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))	BDBM50154633 (CHEMBL3774454) Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(SC)nc12 |TLB:20:11:18:14.15.16,THB:16:15:12:18.17.19,16:17:14.15.20:12,10:11:18:14.15.16,20:15:18:11.12.19| Show InChI InChI=1S/C22H31N5O2S/c1-3-4-5-6-26-13-17(19(29)27-21(26)23-20(25-27)30-2)18(28)24-22-10-14-7-15(11-22)9-16(8-14)12-22/h13-16H,3-12H2,1-2H3,(H,24,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membranes after 60 mins by scintillation counting analysis				Eur J Med Chem 113: 11-27 (2016) BindingDB Entry DOI: 10.7270/Q21J9CPC
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50154633 (CHEMBL3774454) Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(SC)nc12 |TLB:20:11:18:14.15.16,THB:16:15:12:18.17.19,16:17:14.15.20:12,10:11:18:14.15.16,20:15:18:11.12.19| Show InChI InChI=1S/C22H31N5O2S/c1-3-4-5-6-26-13-17(19(29)27-21(26)23-20(25-27)30-2)18(28)24-22-10-14-7-15(11-22)9-16(8-14)12-22/h13-16H,3-12H2,1-2H3,(H,24,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from human CB1 receptor expressed in CHO cell membranes after 90 mins by scintillation counting analysis				Eur J Med Chem 113: 11-27 (2016) BindingDB Entry DOI: 10.7270/Q21J9CPC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50154633 (CHEMBL3774454) Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(SC)nc12 |TLB:20:11:18:14.15.16,THB:16:15:12:18.17.19,16:17:14.15.20:12,10:11:18:14.15.16,20:15:18:11.12.19| Show InChI InChI=1S/C22H31N5O2S/c1-3-4-5-6-26-13-17(19(29)27-21(26)23-20(25-27)30-2)18(28)24-22-10-14-7-15(11-22)9-16(8-14)12-22/h13-16H,3-12H2,1-2H3,(H,24,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	139	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Antagonist activity at human CB2 receptor transfected in CHO cells assessed as inhibition of WIN 55,212-2 mediated suppression of forksolin induced c...				Eur J Med Chem 113: 11-27 (2016) BindingDB Entry DOI: 10.7270/Q21J9CPC
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50154633 (CHEMBL3774454) Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(SC)nc12 |TLB:20:11:18:14.15.16,THB:16:15:12:18.17.19,16:17:14.15.20:12,10:11:18:14.15.16,20:15:18:11.12.19| Show InChI InChI=1S/C22H31N5O2S/c1-3-4-5-6-26-13-17(19(29)27-21(26)23-20(25-27)30-2)18(28)24-22-10-14-7-15(11-22)9-16(8-14)12-22/h13-16H,3-12H2,1-2H3,(H,24,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	494	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Inverse agonist activity at human CB2 receptor transfected in CHO cells assessed as increase in forksolin stimulated cAMP production by scintillation...				Eur J Med Chem 113: 11-27 (2016) BindingDB Entry DOI: 10.7270/Q21J9CPC
					More data for this Ligand-Target Pair