BDBM50541720 CHEMBL4649714

SMILES: CCCCn1c2cn(C)nc2c(O)c(C(=O)NC23CC4CC(CC(O)(C4)C2)C3)c1=O

InChI Key: InChIKey=CXGFXVRXQHUAPP-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 = 50541720   

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))	BDBM50541720 (CHEMBL4649714) Show SMILES CCCCn1c2cn(C)nc2c(O)c(C(=O)NC23CC4CC(CC(O)(C4)C2)C3)c1=O |TLB:20:21:19.18.25:26,THB:20:19:27.21.22:26,22:21:18:25.23.26,22:23:27.21.20:18,24:23:27.21.20:18| Show InChI InChI=1S/C22H30N4O4/c1-3-4-5-26-15-11-25(2)24-17(15)18(27)16(20(26)29)19(28)23-21-7-13-6-14(8-21)10-22(30,9-13)12-21/h11,13-14,27,30H,3-10,12H2,1-2H3,(H,23,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	11	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))	BDBM50541720 (CHEMBL4649714) Show SMILES CCCCn1c2cn(C)nc2c(O)c(C(=O)NC23CC4CC(CC(O)(C4)C2)C3)c1=O |TLB:20:21:19.18.25:26,THB:20:19:27.21.22:26,22:21:18:25.23.26,22:23:27.21.20:18,24:23:27.21.20:18| Show InChI InChI=1S/C22H30N4O4/c1-3-4-5-26-15-11-25(2)24-17(15)18(27)16(20(26)29)19(28)23-21-7-13-6-14(8-21)10-22(30,9-13)12-21/h11,13-14,27,30H,3-10,12H2,1-2H3,(H,23,28)	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