BDBM50541721 CHEMBL4633927

SMILES: Cn1cc2n(CCCCF)c(=O)c(C(=O)NC34CC5CC(CC(C5)C3)C4)c(O)c2n1

InChI Key: InChIKey=JTXJOHIMMKHLOC-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 = 50541721   

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))	BDBM50541721 (CHEMBL4633927) Show SMILES Cn1cc2n(CCCCF)c(=O)c(C(=O)NC34CC5CC(CC(C5)C3)C4)c(O)c2n1 |TLB:19:20:18.17.23:24,THB:19:18:25.20.21:24,21:20:17:23.22.24,21:22:25.20.19:17| Show InChI InChI=1S/C22H29FN4O3/c1-26-12-16-18(25-26)19(28)17(21(30)27(16)5-3-2-4-23)20(29)24-22-9-13-6-14(10-22)8-15(7-13)11-22/h12-15,28H,2-11H2,1H3,(H,24,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	2.10	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))	BDBM50541721 (CHEMBL4633927) Show SMILES Cn1cc2n(CCCCF)c(=O)c(C(=O)NC34CC5CC(CC(C5)C3)C4)c(O)c2n1 |TLB:19:20:18.17.23:24,THB:19:18:25.20.21:24,21:20:17:23.22.24,21:22:25.20.19:17| Show InChI InChI=1S/C22H29FN4O3/c1-26-12-16-18(25-26)19(28)17(21(30)27(16)5-3-2-4-23)20(29)24-22-9-13-6-14(10-22)8-15(7-13)11-22/h12-15,28H,2-11H2,1H3,(H,24,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	532	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))	BDBM50541721 (CHEMBL4633927) Show SMILES Cn1cc2n(CCCCF)c(=O)c(C(=O)NC34CC5CC(CC(C5)C3)C4)c(O)c2n1 |TLB:19:20:18.17.23:24,THB:19:18:25.20.21:24,21:20:17:23.22.24,21:22:25.20.19:17| Show InChI InChI=1S/C22H29FN4O3/c1-26-12-16-18(25-26)19(28)17(21(30)27(16)5-3-2-4-23)20(29)24-22-9-13-6-14(10-22)8-15(7-13)11-22/h12-15,28H,2-11H2,1H3,(H,24,29)	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	270	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