BDBM242445 US9422235, 21

SMILES: COc1cc(Nc2ccc(c(c2)C(F)(F)F)S(=O)(=O)NCC2CCCO2)cc(OC)c1

InChI Key: InChIKey=CPPNFVSJYCMUPR-UHFFFAOYSA-N

Data: 4 KI  4 IC50

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 4 hits for monomerid = 242445   

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))	BDBM242445 (US9422235, 21) Show SMILES COc1cc(Nc2ccc(c(c2)C(F)(F)F)S(=O)(=O)NCC2CCCO2)cc(OC)c1 Show InChI InChI=1S/C20H23F3N2O5S/c1-28-16-8-14(9-17(11-16)29-2)25-13-5-6-19(18(10-13)20(21,22)23)31(26,27)24-12-15-4-3-7-30-15/h5-6,8-11,15,24-25H,3-4,7,12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	81	-9.83	180	n/a	n/a	n/a	n/a	n/a	30
Pharmos Corporation US Patent					Assay Description The binding assays were performed by testing the ability of the new compounds to displace the radiolabeled synthetic non-selective cannabinoid agonis...				US Patent US9422235 (2016) BindingDB Entry DOI: 10.7270/Q2833QX2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM242445 (US9422235, 21) Show SMILES COc1cc(Nc2ccc(c(c2)C(F)(F)F)S(=O)(=O)NCC2CCCO2)cc(OC)c1 Show InChI InChI=1S/C20H23F3N2O5S/c1-28-16-8-14(9-17(11-16)29-2)25-13-5-6-19(18(10-13)20(21,22)23)31(26,27)24-12-15-4-3-7-30-15/h5-6,8-11,15,24-25H,3-4,7,12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	322	-9.00	725	n/a	n/a	n/a	n/a	n/a	30
Pharmos Corporation US Patent					Assay Description The binding assays were performed by testing the ability of the new compounds to displace the radiolabeled synthetic non-selective cannabinoid agonis...				US Patent US9422235 (2016) BindingDB Entry DOI: 10.7270/Q2833QX2
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM242445 (US9422235, 21) Show SMILES COc1cc(Nc2ccc(c(c2)C(F)(F)F)S(=O)(=O)NCC2CCCO2)cc(OC)c1 Show InChI InChI=1S/C20H23F3N2O5S/c1-28-16-8-14(9-17(11-16)29-2)25-13-5-6-19(18(10-13)20(21,22)23)31(26,27)24-12-15-4-3-7-30-15/h5-6,8-11,15,24-25H,3-4,7,12H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	735	-8.50	1.64E+3	n/a	n/a	n/a	n/a	n/a	30
Pharmos Corporation US Patent					Assay Description The binding assays were performed by testing the ability of the new compounds to displace the radiolabeled synthetic non-selective cannabinoid agonis...				US Patent US9422235 (2016) BindingDB Entry DOI: 10.7270/Q2833QX2
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM242445 (US9422235, 21) Show SMILES COc1cc(Nc2ccc(c(c2)C(F)(F)F)S(=O)(=O)NCC2CCCO2)cc(OC)c1 Show InChI InChI=1S/C20H23F3N2O5S/c1-28-16-8-14(9-17(11-16)29-2)25-13-5-6-19(18(10-13)20(21,22)23)31(26,27)24-12-15-4-3-7-30-15/h5-6,8-11,15,24-25H,3-4,7,12H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.59E+3	-8.04	3.58E+3	n/a	n/a	n/a	n/a	n/a	30
Pharmos Corporation US Patent					Assay Description The binding assays were performed by testing the ability of the new compounds to displace the radiolabeled synthetic non-selective cannabinoid agonis...				US Patent US9422235 (2016) BindingDB Entry DOI: 10.7270/Q2833QX2
					More data for this Ligand-Target Pair