BDBM398226 Preparations of 4-chloro-N-((4,4-difluoro-1-hydroxycyclohexyl) methyl)-1-((tetrahydro-2H-pyran-2-yl)methyl)-1H-indole-3-carboxamide::US10323000, Compound 166

SMILES: OC1(CNC(=O)c2cn(CC3CCCCO3)c3cccc(Cl)c23)CCC(F)(F)CC1

InChI Key: InChIKey=ZCTFEKFFUUCYKD-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 398226   

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
hIL-1beta (Homo sapiens (Human))	BDBM398226 (Preparations of 4-chloro-N-((4,4-difluoro-1-hydrox...) Show SMILES OC1(CNC(=O)c2cn(CC3CCCCO3)c3cccc(Cl)c23)CCC(F)(F)CC1 Show InChI InChI=1S/C22H27ClF2N2O3/c23-17-5-3-6-18-19(17)16(13-27(18)12-15-4-1-2-11-30-15)20(28)26-14-21(29)7-9-22(24,25)10-8-21/h3,5-6,13,15,29H,1-2,4,7-12,14H2,(H,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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 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
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM398226 (Preparations of 4-chloro-N-((4,4-difluoro-1-hydrox...) Show SMILES OC1(CNC(=O)c2cn(CC3CCCCO3)c3cccc(Cl)c23)CCC(F)(F)CC1 Show InChI InChI=1S/C22H27ClF2N2O3/c23-17-5-3-6-18-19(17)16(13-27(18)12-15-4-1-2-11-30-15)20(28)26-14-21(29)7-9-22(24,25)10-8-21/h3,5-6,13,15,29H,1-2,4,7-12,14H2,(H,26,28)	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