BDBM50541729 CHEMBL4637535

SMILES: CCCCCN1C2C=NN(C)C2C(O)=C(C(=O)NC23CC4CC(CC(C4)C2)C3)C1=O

InChI Key: InChIKey=YMPGOMOXSWUINN-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 = 50541729   

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))	BDBM50541729 (CHEMBL4637535) Show SMILES CCCCCN1C2C=NN(C)C2C(O)=C(C(=O)NC23CC4CC(CC(C4)C2)C3)C1=O |c:7,t:14,TLB:21:22:20.19.25:26,THB:21:20:27.22.23:26,23:22:19:25.24.26,23:24:27.22.21:19| Show InChI InChI=1S/C23H34N4O3/c1-3-4-5-6-27-17-13-24-26(2)19(17)20(28)18(22(27)30)21(29)25-23-10-14-7-15(11-23)9-16(8-14)12-23/h13-17,19,28H,3-12H2,1-2H3,(H,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	0.900	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))	BDBM50541729 (CHEMBL4637535) Show SMILES CCCCCN1C2C=NN(C)C2C(O)=C(C(=O)NC23CC4CC(CC(C4)C2)C3)C1=O |c:7,t:14,TLB:21:22:20.19.25:26,THB:21:20:27.22.23:26,23:22:19:25.24.26,23:24:27.22.21:19| Show InChI InChI=1S/C23H34N4O3/c1-3-4-5-6-27-17-13-24-26(2)19(17)20(28)18(22(27)30)21(29)25-23-10-14-7-15(11-23)9-16(8-14)12-23/h13-17,19,28H,3-12H2,1-2H3,(H,25,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	56	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))	BDBM50541729 (CHEMBL4637535) Show SMILES CCCCCN1C2C=NN(C)C2C(O)=C(C(=O)NC23CC4CC(CC(C4)C2)C3)C1=O |c:7,t:14,TLB:21:22:20.19.25:26,THB:21:20:27.22.23:26,23:22:19:25.24.26,23:24:27.22.21:19| Show InChI InChI=1S/C23H34N4O3/c1-3-4-5-6-27-17-13-24-26(2)19(17)20(28)18(22(27)30)21(29)25-23-10-14-7-15(11-23)9-16(8-14)12-23/h13-17,19,28H,3-12H2,1-2H3,(H,25,29)	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	252	n/a	n/a	n/a	n/a
University of Siena Curated by ChEMBL					Assay Description Agonist activity at recombinant human CB2R expressed in CHOK1 cells assessed as inhibition of NKH477-stimulated intracellular cAMP levels after 30 mi...				J Med Chem 63: 7369-7391 (2020)
					More data for this Ligand-Target Pair