BDBM398149 (S)-4-chloro-N-((3,3-difluoro-1-hydroxycyclohexyl)methyl)-1-(oxetan-3-yl)-1H-indole-3-carboxamide::US10323000, Compound 85::US10676433, Compound 85

SMILES: O[C@@]1(CNC(=O)c2cn(C3COC3)c3cccc(Cl)c23)CCCC(F)(F)C1

InChI Key: InChIKey=OIPFHTDSPCKTSD-SFHVURJKSA-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 = 398149   

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))	BDBM398149 ((S)-4-chloro-N-((3,3-difluoro-1-hydroxycyclohexyl)...) Show SMILES O[C@@]1(CNC(=O)c2cn(C3COC3)c3cccc(Cl)c23)CCCC(F)(F)C1 |r| Show InChI InChI=1S/C19H21ClF2N2O3/c20-14-3-1-4-15-16(14)13(7-24(15)12-8-27-9-12)17(25)23-11-18(26)5-2-6-19(21,22)10-18/h1,3-4,7,12,26H,2,5-6,8-11H2,(H,23,25)/t18-/m0/s1	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
hIL-1beta (Homo sapiens (Human))	BDBM398149 ((S)-4-chloro-N-((3,3-difluoro-1-hydroxycyclohexyl)...) Show SMILES O[C@@]1(CNC(=O)c2cn(C3COC3)c3cccc(Cl)c23)CCCC(F)(F)C1 |r| Show InChI InChI=1S/C19H21ClF2N2O3/c20-14-3-1-4-15-16(14)13(7-24(15)12-8-27-9-12)17(25)23-11-18(26)5-2-6-19(21,22)10-18/h1,3-4,7,12,26H,2,5-6,8-11H2,(H,23,25)/t18-/m0/s1	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
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))	BDBM398149 ((S)-4-chloro-N-((3,3-difluoro-1-hydroxycyclohexyl)...) Show SMILES O[C@@]1(CNC(=O)c2cn(C3COC3)c3cccc(Cl)c23)CCCC(F)(F)C1 |r| Show InChI InChI=1S/C19H21ClF2N2O3/c20-14-3-1-4-15-16(14)13(7-24(15)12-8-27-9-12)17(25)23-11-18(26)5-2-6-19(21,22)10-18/h1,3-4,7,12,26H,2,5-6,8-11H2,(H,23,25)/t18-/m0/s1	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
hIL-1beta (Homo sapiens (Human))	BDBM398149 ((S)-4-chloro-N-((3,3-difluoro-1-hydroxycyclohexyl)...) Show SMILES O[C@@]1(CNC(=O)c2cn(C3COC3)c3cccc(Cl)c23)CCCC(F)(F)C1 |r| Show InChI InChI=1S/C19H21ClF2N2O3/c20-14-3-1-4-15-16(14)13(7-24(15)12-8-27-9-12)17(25)23-11-18(26)5-2-6-19(21,22)10-18/h1,3-4,7,12,26H,2,5-6,8-11H2,(H,23,25)/t18-/m0/s1	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