BDBM50392574 CHEMBL2152825

SMILES: CCCCCn1cc(C(=O)NC2CN3CCC2CC3)c(=O)c2ccc(Sc3ccccc3)cc12

InChI Key: InChIKey=QEUJSKQTXPXUFF-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 = 50392574   

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))	BDBM50392574 (CHEMBL2152825) Show SMILES CCCCCn1cc(C(=O)NC2CN3CCC2CC3)c(=O)c2ccc(Sc3ccccc3)cc12 |(41.89,-47.58,;40.56,-48.35,;39.22,-47.58,;37.89,-48.36,;36.56,-47.59,;36.55,-46.05,;37.9,-45.27,;37.89,-43.72,;39.22,-42.94,;39.22,-41.4,;40.56,-43.71,;41.89,-42.93,;41.7,-41.55,;43.16,-40.91,;44.51,-41.51,;44.79,-42.91,;43.42,-42.28,;43.68,-40.38,;43.23,-39.27,;36.54,-42.94,;36.53,-41.4,;35.2,-43.73,;33.87,-42.96,;32.54,-43.73,;32.54,-45.28,;31.2,-46.05,;29.87,-45.28,;29.88,-43.74,;28.55,-42.97,;27.21,-43.74,;27.22,-45.28,;28.55,-46.05,;33.87,-46.05,;35.21,-45.28,)| Show InChI InChI=1S/C28H33N3O2S/c1-2-3-7-14-31-18-24(28(33)29-25-19-30-15-12-20(25)13-16-30)27(32)23-11-10-22(17-26(23)31)34-21-8-5-4-6-9-21/h4-6,8-11,17-18,20,25H,2-3,7,12-16,19H2,1H3,(H,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	89.1	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]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes				Eur J Med Chem 58: 30-43 (2012) Article DOI: 10.1016/j.ejmech.2012.09.035 BindingDB Entry DOI: 10.7270/Q2JD4XW2
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50392574 (CHEMBL2152825) Show SMILES CCCCCn1cc(C(=O)NC2CN3CCC2CC3)c(=O)c2ccc(Sc3ccccc3)cc12 |(41.89,-47.58,;40.56,-48.35,;39.22,-47.58,;37.89,-48.36,;36.56,-47.59,;36.55,-46.05,;37.9,-45.27,;37.89,-43.72,;39.22,-42.94,;39.22,-41.4,;40.56,-43.71,;41.89,-42.93,;41.7,-41.55,;43.16,-40.91,;44.51,-41.51,;44.79,-42.91,;43.42,-42.28,;43.68,-40.38,;43.23,-39.27,;36.54,-42.94,;36.53,-41.4,;35.2,-43.73,;33.87,-42.96,;32.54,-43.73,;32.54,-45.28,;31.2,-46.05,;29.87,-45.28,;29.88,-43.74,;28.55,-42.97,;27.21,-43.74,;27.22,-45.28,;28.55,-46.05,;33.87,-46.05,;35.21,-45.28,)| Show InChI InChI=1S/C28H33N3O2S/c1-2-3-7-14-31-18-24(28(33)29-25-19-30-15-12-20(25)13-16-30)27(32)23-11-10-22(17-26(23)31)34-21-8-5-4-6-9-21/h4-6,8-11,17-18,20,25H,2-3,7,12-16,19H2,1H3,(H,29,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	151	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]CP55940 from human recombinant CB1 receptor transfected in HEK cell membrane				Eur J Med Chem 58: 30-43 (2012) Article DOI: 10.1016/j.ejmech.2012.09.035 BindingDB Entry DOI: 10.7270/Q2JD4XW2
					More data for this Ligand-Target Pair