BDBM50156098 CHEMBL3781848

SMILES: COc1ccc(CNC(=O)c2c(O)c3cc(ccc3n(CCCCO)c2=O)-c2cccs2)cc1

InChI Key: InChIKey=SORPVYIQXKCLFK-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 = 50156098   

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))	BDBM50156098 (CHEMBL3781848) Show SMILES COc1ccc(CNC(=O)c2c(O)c3cc(ccc3n(CCCCO)c2=O)-c2cccs2)cc1 Show InChI InChI=1S/C26H26N2O5S/c1-33-19-9-6-17(7-10-19)16-27-25(31)23-24(30)20-15-18(22-5-4-14-34-22)8-11-21(20)28(26(23)32)12-2-3-13-29/h4-11,14-15,29-30H,2-3,12-13,16H2,1H3,(H,27,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	2.24E+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-55940 from human recombinant CB2 receptor expressed in HEK293 cells after 90 mins by Competition binding assay				J Med Chem 59: 1052-67 (2016) BindingDB Entry DOI: 10.7270/Q2GB25XB
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50156098 (CHEMBL3781848) Show SMILES COc1ccc(CNC(=O)c2c(O)c3cc(ccc3n(CCCCO)c2=O)-c2cccs2)cc1 Show InChI InChI=1S/C26H26N2O5S/c1-33-19-9-6-17(7-10-19)16-27-25(31)23-24(30)20-15-18(22-5-4-14-34-22)8-11-21(20)28(26(23)32)12-2-3-13-29/h4-11,14-15,29-30H,2-3,12-13,16H2,1H3,(H,27,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	>1.00E+4	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-55940 from human recombinant CB1 receptor expressed in HEK293 cells after 90 mins by Competition binding assay				J Med Chem 59: 1052-67 (2016) BindingDB Entry DOI: 10.7270/Q2GB25XB
					More data for this Ligand-Target Pair