BDBM398154 Preparations of 4-chloro-N-(((1S,3S)-1-hydroxy-3-methylcyclohexyl) methyl)-1-(oxetan-3-yl)-1H-indole-3-carboxamide::US10323000, Compound 90::US10676433, Compound 90

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

InChI Key: InChIKey=XEPOYNHLFNATQO-RBZFPXEDSA-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 = 398154   

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))	BDBM398154 (Preparations of 4-chloro-N-(((1S,3S)-1-hydroxy-3-m...) Show SMILES C[C@H]1CCC[C@@](O)(CNC(=O)c2cn(C3COC3)c3cccc(Cl)c23)C1 |r| Show InChI InChI=1S/C20H25ClN2O3/c1-13-4-3-7-20(25,8-13)12-22-19(24)15-9-23(14-10-26-11-14)17-6-2-5-16(21)18(15)17/h2,5-6,9,13-14,25H,3-4,7-8,10-12H2,1H3,(H,22,24)/t13-,20-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	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))	BDBM398154 (Preparations of 4-chloro-N-(((1S,3S)-1-hydroxy-3-m...) Show SMILES C[C@H]1CCC[C@@](O)(CNC(=O)c2cn(C3COC3)c3cccc(Cl)c23)C1 |r| Show InChI InChI=1S/C20H25ClN2O3/c1-13-4-3-7-20(25,8-13)12-22-19(24)15-9-23(14-10-26-11-14)17-6-2-5-16(21)18(15)17/h2,5-6,9,13-14,25H,3-4,7-8,10-12H2,1H3,(H,22,24)/t13-,20-/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))	BDBM398154 (Preparations of 4-chloro-N-(((1S,3S)-1-hydroxy-3-m...) Show SMILES C[C@H]1CCC[C@@](O)(CNC(=O)c2cn(C3COC3)c3cccc(Cl)c23)C1 |r| Show InChI InChI=1S/C20H25ClN2O3/c1-13-4-3-7-20(25,8-13)12-22-19(24)15-9-23(14-10-26-11-14)17-6-2-5-16(21)18(15)17/h2,5-6,9,13-14,25H,3-4,7-8,10-12H2,1H3,(H,22,24)/t13-,20-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	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))	BDBM398154 (Preparations of 4-chloro-N-(((1S,3S)-1-hydroxy-3-m...) Show SMILES C[C@H]1CCC[C@@](O)(CNC(=O)c2cn(C3COC3)c3cccc(Cl)c23)C1 |r| Show InChI InChI=1S/C20H25ClN2O3/c1-13-4-3-7-20(25,8-13)12-22-19(24)15-9-23(14-10-26-11-14)17-6-2-5-16(21)18(15)17/h2,5-6,9,13-14,25H,3-4,7-8,10-12H2,1H3,(H,22,24)/t13-,20-/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