null

SMILES: CC(C)(C)c1nc(N2CCC[C@@H]2CO)c2cnn(Cc3ccccc3C(F)(F)F)c2n1

InChI Key: InChIKey=LPJAAJWLZWRAIK-OAHLLOKOSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 259998   

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))	BDBM259998 (US9512132, 34) Show SMILES CC(C)(C)c1nc(N2CCC[C@@H]2CO)c2cnn(Cc3ccccc3C(F)(F)F)c2n1 |r| Show InChI InChI=1S/C22H26F3N5O/c1-21(2,3)20-27-18(29-10-6-8-15(29)13-31)16-11-26-30(19(16)28-20)12-14-7-4-5-9-17(14)22(23,24)25/h4-5,7,9,11,15,31H,6,8,10,12-13H2,1-3H3/t15-/m1/s1	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	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))	BDBM259998 (US9512132, 34) Show SMILES CC(C)(C)c1nc(N2CCC[C@@H]2CO)c2cnn(Cc3ccccc3C(F)(F)F)c2n1 |r| Show InChI InChI=1S/C22H26F3N5O/c1-21(2,3)20-27-18(29-10-6-8-15(29)13-31)16-11-26-30(19(16)28-20)12-14-7-4-5-9-17(14)22(23,24)25/h4-5,7,9,11,15,31H,6,8,10,12-13H2,1-3H3/t15-/m1/s1	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))	BDBM259998 (US9512132, 34) Show SMILES CC(C)(C)c1nc(N2CCC[C@@H]2CO)c2cnn(Cc3ccccc3C(F)(F)F)c2n1 |r| Show InChI InChI=1S/C22H26F3N5O/c1-21(2,3)20-27-18(29-10-6-8-15(29)13-31)16-11-26-30(19(16)28-20)12-14-7-4-5-9-17(14)22(23,24)25/h4-5,7,9,11,15,31H,6,8,10,12-13H2,1-3H3/t15-/m1/s1	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	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))	BDBM259998 (US9512132, 34) Show SMILES CC(C)(C)c1nc(N2CCC[C@@H]2CO)c2cnn(Cc3ccccc3C(F)(F)F)c2n1 |r| Show InChI InChI=1S/C22H26F3N5O/c1-21(2,3)20-27-18(29-10-6-8-15(29)13-31)16-11-26-30(19(16)28-20)12-14-7-4-5-9-17(14)22(23,24)25/h4-5,7,9,11,15,31H,6,8,10,12-13H2,1-3H3/t15-/m1/s1	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