BDBM50165678 CHEMBL3799538

SMILES: COc1ccc(cc1)-c1cc(Cc2ccc(F)cc2)c(OC)c(c1)C(=O)N[C@@H]1CC[C@H](C)CC1

InChI Key: InChIKey=HZHXBNFURCDJKR-KJDSRRNHSA-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 = 50165678   

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))	BDBM50165678 (CHEMBL3799538) Show SMILES COc1ccc(cc1)-c1cc(Cc2ccc(F)cc2)c(OC)c(c1)C(=O)N[C@@H]1CC[C@H](C)CC1 |r,wD:27.29,30.33,(6.66,-5.09,;6.66,-3.86,;5.33,-3.08,;5.34,-1.54,;4,-.77,;2.67,-1.54,;2.67,-3.08,;4,-3.85,;1.33,-.77,;1.33,.77,;,1.54,;0,3.08,;1.34,3.85,;1.34,5.39,;2.68,6.15,;4.01,5.38,;5.08,5.99,;4.01,3.84,;2.67,3.07,;-1.33,.77,;-2.67,1.54,;-3.74,.92,;-1.33,-.77,;,-1.54,;-2.67,-1.54,;-3.73,-.93,;-2.66,-3.08,;-4,-3.86,;-4,-5.4,;-5.33,-6.17,;-6.66,-5.4,;-7.73,-6.01,;-6.66,-3.86,;-5.33,-3.09,)| Show InChI InChI=1S/C29H32FNO3/c1-19-4-12-25(13-5-19)31-29(32)27-18-22(21-8-14-26(33-2)15-9-21)17-23(28(27)34-3)16-20-6-10-24(30)11-7-20/h6-11,14-15,17-19,25H,4-5,12-13,16H2,1-3H3,(H,31,32)/t19-,25+	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	196	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cell membranes after 2 hrs				Eur J Med Chem 116: 252-266 (2016) Article DOI: 10.1016/j.ejmech.2016.03.072 BindingDB Entry DOI: 10.7270/Q2DJ5HHP
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50165678 (CHEMBL3799538) Show SMILES COc1ccc(cc1)-c1cc(Cc2ccc(F)cc2)c(OC)c(c1)C(=O)N[C@@H]1CC[C@H](C)CC1 |r,wD:27.29,30.33,(6.66,-5.09,;6.66,-3.86,;5.33,-3.08,;5.34,-1.54,;4,-.77,;2.67,-1.54,;2.67,-3.08,;4,-3.85,;1.33,-.77,;1.33,.77,;,1.54,;0,3.08,;1.34,3.85,;1.34,5.39,;2.68,6.15,;4.01,5.38,;5.08,5.99,;4.01,3.84,;2.67,3.07,;-1.33,.77,;-2.67,1.54,;-3.74,.92,;-1.33,-.77,;,-1.54,;-2.67,-1.54,;-3.73,-.93,;-2.66,-3.08,;-4,-3.86,;-4,-5.4,;-5.33,-6.17,;-6.66,-5.4,;-7.73,-6.01,;-6.66,-3.86,;-5.33,-3.09,)| Show InChI InChI=1S/C29H32FNO3/c1-19-4-12-25(13-5-19)31-29(32)27-18-22(21-8-14-26(33-2)15-9-21)17-23(28(27)34-3)16-20-6-10-24(30)11-7-20/h6-11,14-15,17-19,25H,4-5,12-13,16H2,1-3H3,(H,31,32)/t19-,25+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cell membranes after 2 hrs				Eur J Med Chem 116: 252-266 (2016) Article DOI: 10.1016/j.ejmech.2016.03.072 BindingDB Entry DOI: 10.7270/Q2DJ5HHP
					More data for this Ligand-Target Pair