null

SMILES: Clc1cc2CCC(NC(=O)C3COc4ncccc34)c2c(Cl)c1

InChI Key: InChIKey=KWFRKVWOJFLNAF-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 241779   

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
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM241779 (US9409917, 104 | US9409917, 105 | US9409917, 76 | ...) Show SMILES Clc1cc2CCC(NC(=O)C3COc4ncccc34)c2c(Cl)c1 Show InChI InChI=1S/C17H14Cl2N2O2/c18-10-6-9-3-4-14(15(9)13(19)7-10)21-16(22)12-8-23-17-11(12)2-1-5-20-17/h1-2,5-7,12,14H,3-4,8H2,(H,21,22)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20.6	n/a	n/a	n/a	n/a	n/a	37
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description HEK cells stably expressing P2X7 were used to screen drugs using the YO-PRO1 assay. Cells were grown to confluency in adherent culture at 37° C. ...				US Patent US9409917 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VC8
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM241779 (US9409917, 104 | US9409917, 105 | US9409917, 76 | ...) Show SMILES Clc1cc2CCC(NC(=O)C3COc4ncccc34)c2c(Cl)c1 Show InChI InChI=1S/C17H14Cl2N2O2/c18-10-6-9-3-4-14(15(9)13(19)7-10)21-16(22)12-8-23-17-11(12)2-1-5-20-17/h1-2,5-7,12,14H,3-4,8H2,(H,21,22)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	37
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description HEK cells stably expressing P2X7 were used to screen drugs using the YO-PRO1 assay. Cells were grown to confluency in adherent culture at 37° C. ...				US Patent US9409917 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VC8
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM241779 (US9409917, 104 | US9409917, 105 | US9409917, 76 | ...) Show SMILES Clc1cc2CCC(NC(=O)C3COc4ncccc34)c2c(Cl)c1 Show InChI InChI=1S/C17H14Cl2N2O2/c18-10-6-9-3-4-14(15(9)13(19)7-10)21-16(22)12-8-23-17-11(12)2-1-5-20-17/h1-2,5-7,12,14H,3-4,8H2,(H,21,22)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	37
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description HEK cells stably expressing P2X7 were used to screen drugs using the YO-PRO1 assay. Cells were grown to confluency in adherent culture at 37° C. ...				US Patent US9409917 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VC8
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM241779 (US9409917, 104 | US9409917, 105 | US9409917, 76 | ...) Show SMILES Clc1cc2CCC(NC(=O)C3COc4ncccc34)c2c(Cl)c1 Show InChI InChI=1S/C17H14Cl2N2O2/c18-10-6-9-3-4-14(15(9)13(19)7-10)21-16(22)12-8-23-17-11(12)2-1-5-20-17/h1-2,5-7,12,14H,3-4,8H2,(H,21,22)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	164	n/a	n/a	n/a	n/a	n/a	37
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description HEK cells stably expressing P2X7 were used to screen drugs using the YO-PRO1 assay. Cells were grown to confluency in adherent culture at 37° C. ...				US Patent US9409917 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VC8
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM241779 (US9409917, 104 | US9409917, 105 | US9409917, 76 | ...) Show SMILES Clc1cc2CCC(NC(=O)C3COc4ncccc34)c2c(Cl)c1 Show InChI InChI=1S/C17H14Cl2N2O2/c18-10-6-9-3-4-14(15(9)13(19)7-10)21-16(22)12-8-23-17-11(12)2-1-5-20-17/h1-2,5-7,12,14H,3-4,8H2,(H,21,22)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	37
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description HEK cells stably expressing P2X7 were used to screen drugs using the YO-PRO1 assay. Cells were grown to confluency in adherent culture at 37° C. ...				US Patent US9409917 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VC8
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM241779 (US9409917, 104 | US9409917, 105 | US9409917, 76 | ...) Show SMILES Clc1cc2CCC(NC(=O)C3COc4ncccc34)c2c(Cl)c1 Show InChI InChI=1S/C17H14Cl2N2O2/c18-10-6-9-3-4-14(15(9)13(19)7-10)21-16(22)12-8-23-17-11(12)2-1-5-20-17/h1-2,5-7,12,14H,3-4,8H2,(H,21,22)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	37
ACTELION PHARMACEUTICALS LTD. US Patent					Assay Description HEK cells stably expressing P2X7 were used to screen drugs using the YO-PRO1 assay. Cells were grown to confluency in adherent culture at 37° C. ...				US Patent US9409917 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VC8
					More data for this Ligand-Target Pair