BDBM21331 1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indole-6-carbonitrile::Tetrahydropyranyl-methyl analogue, 52

SMILES: CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(ccc23)C#N)C1(C)C

InChI Key: InChIKey=LJZLIPSTUBWUJE-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 2 hits for monomerid = 21331   

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))	BDBM21331 (1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopr...) Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(ccc23)C#N)C1(C)C Show InChI InChI=1S/C23H28N2O2/c1-22(2)21(23(22,3)4)20(26)18-14-25(13-15-7-9-27-10-8-15)19-11-16(12-24)5-6-17(18)19/h5-6,11,14-15,21H,7-10,13H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	53	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 51: 1904-12 (2008) Article DOI: 10.1021/jm7011613 BindingDB Entry DOI: 10.7270/Q2C827K2
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM21331 (1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopr...) Show SMILES CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(ccc23)C#N)C1(C)C Show InChI InChI=1S/C23H28N2O2/c1-22(2)21(23(22,3)4)20(26)18-14-25(13-15-7-9-27-10-8-15)19-11-16(12-24)5-6-17(18)19/h5-6,11,14-15,21H,7-10,13H2,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 51: 1904-12 (2008) Article DOI: 10.1021/jm7011613 BindingDB Entry DOI: 10.7270/Q2C827K2
					More data for this Ligand-Target Pair