BDBM50420877 CHEMBL2087112

SMILES: CCCCCn1cc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(Br)ccc12

InChI Key: InChIKey=CCDDFRFFGRIXTC-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50420877   

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))	BDBM50420877 (CHEMBL2087112) Show SMILES CCCCCn1cc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(Br)ccc12 |TLB:11:12:15:19.18.17,THB:13:14:17:21.12.20,13:12:15.14.19:17,20:12:15:19.18.17,20:18:15:21.13.12| Show InChI InChI=1S/C25H33BrN2O/c1-2-3-4-7-28-16-20(22-12-21(26)5-6-23(22)28)11-24(29)27-25-13-17-8-18(14-25)10-19(9-17)15-25/h5-6,12,16-19H,2-4,7-11,13-15H2,1H3,(H,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from human recombinant CB2 receptor transfected in HEK cells				J Med Chem 55: 5391-402 (2012) Article DOI: 10.1021/jm3003334 BindingDB Entry DOI: 10.7270/Q2K64KCF
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50420877 (CHEMBL2087112) Show SMILES CCCCCn1cc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(Br)ccc12 |TLB:11:12:15:19.18.17,THB:13:14:17:21.12.20,13:12:15.14.19:17,20:12:15:19.18.17,20:18:15:21.13.12| Show InChI InChI=1S/C25H33BrN2O/c1-2-3-4-7-28-16-20(22-12-21(26)5-6-23(22)28)11-24(29)27-25-13-17-8-18(14-25)10-19(9-17)15-25/h5-6,12,16-19H,2-4,7-11,13-15H2,1H3,(H,27,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from human recombinant CB1 receptor transfected in HEK cells				J Med Chem 55: 5391-402 (2012) Article DOI: 10.1021/jm3003334 BindingDB Entry DOI: 10.7270/Q2K64KCF
					More data for this Ligand-Target Pair