BDBM50541724 CHEMBL4640710

SMILES: CC(=O)OCCCCn1c2cn(C)nc2c(O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O

InChI Key: InChIKey=QMCHJIHWQUUJNA-UHFFFAOYSA-N

Data: 2 KI  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 3 hits for monomerid = 50541724   

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))	BDBM50541724 (CHEMBL4640710) Show SMILES CC(=O)OCCCCn1c2cn(C)nc2c(O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O |TLB:24:25:23.22.28:29,THB:24:23:30.25.26:29,26:25:22:28.27.29,26:27:30.25.24:22| Show InChI InChI=1S/C24H32N4O5/c1-14(29)33-6-4-3-5-28-18-13-27(2)26-20(18)21(30)19(23(28)32)22(31)25-24-10-15-7-16(11-24)9-17(8-15)12-24/h13,15-17,30H,3-12H2,1-2H3,(H,25,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55,940 from recombinant human CB2R expressed in HEK293 cell membranes				J Med Chem 63: 7369-7391 (2020)
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50541724 (CHEMBL4640710) Show SMILES CC(=O)OCCCCn1c2cn(C)nc2c(O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O |TLB:24:25:23.22.28:29,THB:24:23:30.25.26:29,26:25:22:28.27.29,26:27:30.25.24:22| Show InChI InChI=1S/C24H32N4O5/c1-14(29)33-6-4-3-5-28-18-13-27(2)26-20(18)21(30)19(23(28)32)22(31)25-24-10-15-7-16(11-24)9-17(8-15)12-24/h13,15-17,30H,3-12H2,1-2H3,(H,25,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55,940 from recombinant human CB1R expressed in HEK293 cell membranes				J Med Chem 63: 7369-7391 (2020)
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50541724 (CHEMBL4640710) Show SMILES CC(=O)OCCCCn1c2cn(C)nc2c(O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O |TLB:24:25:23.22.28:29,THB:24:23:30.25.26:29,26:25:22:28.27.29,26:27:30.25.24:22| Show InChI InChI=1S/C24H32N4O5/c1-14(29)33-6-4-3-5-28-18-13-27(2)26-20(18)21(30)19(23(28)32)22(31)25-24-10-15-7-16(11-24)9-17(8-15)12-24/h13,15-17,30H,3-12H2,1-2H3,(H,25,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	2.08E+3	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Inverse agonist activity at recombinant human CB2R expressed in CHOK1 cells assessed as increase in NKH477-stimulated intracellular cAMP levels after...				J Med Chem 63: 7369-7391 (2020)
					More data for this Ligand-Target Pair