null

SMILES: COCCn1cc(C(=O)NCC2(O)CCCCC2)c2c(Cl)cccc12

InChI Key: InChIKey=JRKCRSUXXRTIFW-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 398083   

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))	BDBM398083 (4-Chloro-1-(2-methoxy-ethyl)-1H-indole-3-carboxyli...) Show SMILES COCCn1cc(C(=O)NCC2(O)CCCCC2)c2c(Cl)cccc12 Show InChI InChI=1S/C19H25ClN2O3/c1-25-11-10-22-12-14(17-15(20)6-5-7-16(17)22)18(23)21-13-19(24)8-3-2-4-9-19/h5-7,12,24H,2-4,8-11,13H2,1H3,(H,21,23)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg					Assay Description Agonist-induced pore formation was determined by measuring cellular uptake of YO PRO fluorescence dye in HEK293 transfected with human P2X7 receptor....				Bioorg Med Chem 16: 8574-86 (2008) BindingDB Entry DOI: 10.7270/Q26M395S
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM398083 (4-Chloro-1-(2-methoxy-ethyl)-1H-indole-3-carboxyli...) Show SMILES COCCn1cc(C(=O)NCC2(O)CCCCC2)c2c(Cl)cccc12 Show InChI InChI=1S/C19H25ClN2O3/c1-25-11-10-22-12-14(17-15(20)6-5-7-16(17)22)18(23)21-13-19(24)8-3-2-4-9-19/h5-7,12,24H,2-4,8-11,13H2,1H3,(H,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description The activation of P2X7 by ATP leads to a fast transient activation of cells resulting in influx of Ca2+ followed by conversion of pro-IL-1β to a...				US Patent US10676433 (2020) BindingDB Entry DOI: 10.7270/Q2HD7ZQ2
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM398083 (4-Chloro-1-(2-methoxy-ethyl)-1H-indole-3-carboxyli...) Show SMILES COCCn1cc(C(=O)NCC2(O)CCCCC2)c2c(Cl)cccc12 Show InChI InChI=1S/C19H25ClN2O3/c1-25-11-10-22-12-14(17-15(20)6-5-7-16(17)22)18(23)21-13-19(24)8-3-2-4-9-19/h5-7,12,24H,2-4,8-11,13H2,1H3,(H,21,23)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description Agonist-induced pore formation was determined by measuring cellular uptake of YO PRO fluorescence dye in HEK293 transfected with human P2X7 receptor....				US Patent US10676433 (2020) BindingDB Entry DOI: 10.7270/Q2HD7ZQ2
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM398083 (4-Chloro-1-(2-methoxy-ethyl)-1H-indole-3-carboxyli...) Show SMILES COCCn1cc(C(=O)NCC2(O)CCCCC2)c2c(Cl)cccc12 Show InChI InChI=1S/C19H25ClN2O3/c1-25-11-10-22-12-14(17-15(20)6-5-7-16(17)22)18(23)21-13-19(24)8-3-2-4-9-19/h5-7,12,24H,2-4,8-11,13H2,1H3,(H,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Philipps-University Marburg					Assay Description The activation of P2X7 by ATP leads to a fast transient activation of cells resulting in influx of Ca2+ followed by conversion of pro-IL-1β to a...				Bioorg Med Chem 16: 8574-86 (2008) BindingDB Entry DOI: 10.7270/Q26M395S
					More data for this Ligand-Target Pair