BDBM398122 4-Chloro-1-oxetan-3-yl-1H-indole-3-carboxylic acid (3-trifluoromethyl-cyclohexylmethyl)-amide::US10323000, Compound 56::US10676433, Compound 56

SMILES: FC(F)(F)C1CCCC(CNC(=O)c2cn(C3COC3)c3cccc(Cl)c23)C1

InChI Key: InChIKey=DZUUFEFOAJILJT-UHFFFAOYSA-N

Data: 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 = 398122   

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))	BDBM398122 (4-Chloro-1-oxetan-3-yl-1H-indole-3-carboxylic acid...) Show SMILES FC(F)(F)C1CCCC(CNC(=O)c2cn(C3COC3)c3cccc(Cl)c23)C1 Show InChI InChI=1S/C20H22ClF3N2O2/c21-16-5-2-6-17-18(16)15(9-26(17)14-10-28-11-14)19(27)25-8-12-3-1-4-13(7-12)20(22,23)24/h2,5-6,9,12-14H,1,3-4,7-8,10-11H2,(H,25,27)	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))	BDBM398122 (4-Chloro-1-oxetan-3-yl-1H-indole-3-carboxylic acid...) Show SMILES FC(F)(F)C1CCCC(CNC(=O)c2cn(C3COC3)c3cccc(Cl)c23)C1 Show InChI InChI=1S/C20H22ClF3N2O2/c21-16-5-2-6-17-18(16)15(9-26(17)14-10-28-11-14)19(27)25-8-12-3-1-4-13(7-12)20(22,23)24/h2,5-6,9,12-14H,1,3-4,7-8,10-11H2,(H,25,27)	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)
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM398122 (4-Chloro-1-oxetan-3-yl-1H-indole-3-carboxylic acid...) Show SMILES FC(F)(F)C1CCCC(CNC(=O)c2cn(C3COC3)c3cccc(Cl)c23)C1 Show InChI InChI=1S/C20H22ClF3N2O2/c21-16-5-2-6-17-18(16)15(9-26(17)14-10-28-11-14)19(27)25-8-12-3-1-4-13(7-12)20(22,23)24/h2,5-6,9,12-14H,1,3-4,7-8,10-11H2,(H,25,27)	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)
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM398122 (4-Chloro-1-oxetan-3-yl-1H-indole-3-carboxylic acid...) Show SMILES FC(F)(F)C1CCCC(CNC(=O)c2cn(C3COC3)c3cccc(Cl)c23)C1 Show InChI InChI=1S/C20H22ClF3N2O2/c21-16-5-2-6-17-18(16)15(9-26(17)14-10-28-11-14)19(27)25-8-12-3-1-4-13(7-12)20(22,23)24/h2,5-6,9,12-14H,1,3-4,7-8,10-11H2,(H,25,27)	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