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SMILES: CC(C)(C)c1nc(N2CCC(F)(F)C2)c2cnn(CCc3ccccc3)c2n1

InChI Key: InChIKey=VYEXHOANMXAKDW-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 259972   

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))	BDBM259972 (US9512132, 8) Show SMILES CC(C)(C)c1nc(N2CCC(F)(F)C2)c2cnn(CCc3ccccc3)c2n1 Show InChI InChI=1S/C21H25F2N5/c1-20(2,3)19-25-17(27-12-10-21(22,23)14-27)16-13-24-28(18(16)26-19)11-9-15-7-5-4-6-8-15/h4-8,13H,9-12,14H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5.40	n/a	n/a	n/a	37
Hoffmann-La Roche Inc. US Patent					Assay Description CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...				US Patent US9512132 (2016) BindingDB Entry DOI: 10.7270/Q2P26X39
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM259972 (US9512132, 8) Show SMILES CC(C)(C)c1nc(N2CCC(F)(F)C2)c2cnn(CCc3ccccc3)c2n1 Show InChI InChI=1S/C21H25F2N5/c1-20(2,3)19-25-17(27-12-10-21(22,23)14-27)16-13-24-28(18(16)26-19)11-9-15-7-5-4-6-8-15/h4-8,13H,9-12,14H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	37
Hoffmann-La Roche Inc. US Patent					Assay Description CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50,000 cells per well in a black 96 well plate with fl...				US Patent US9694012 (2017) BindingDB Entry DOI: 10.7270/Q2VX0DPM
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM259972 (US9512132, 8) Show SMILES CC(C)(C)c1nc(N2CCC(F)(F)C2)c2cnn(CCc3ccccc3)c2n1 Show InChI InChI=1S/C21H25F2N5/c1-20(2,3)19-25-17(27-12-10-21(22,23)14-27)16-13-24-28(18(16)26-19)11-9-15-7-5-4-6-8-15/h4-8,13H,9-12,14H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5.40	n/a	n/a	n/a	37
Hoffmann-La Roche Inc. US Patent					Assay Description CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50,000 cells per well in a black 96 well plate with fl...				US Patent US9694012 (2017) BindingDB Entry DOI: 10.7270/Q2VX0DPM
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM259972 (US9512132, 8) Show SMILES CC(C)(C)c1nc(N2CCC(F)(F)C2)c2cnn(CCc3ccccc3)c2n1 Show InChI InChI=1S/C21H25F2N5/c1-20(2,3)19-25-17(27-12-10-21(22,23)14-27)16-13-24-28(18(16)26-19)11-9-15-7-5-4-6-8-15/h4-8,13H,9-12,14H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	37
Hoffmann-La Roche Inc. US Patent					Assay Description CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...				US Patent US9512132 (2016) BindingDB Entry DOI: 10.7270/Q2P26X39
					More data for this Ligand-Target Pair