BDBM398176 4-chloro-N-(((1R,3R)-1-hydroxy-3-methyl cyclohexyl)methyl)-1-(tetrahydrofuran-3-yl)-1H-indole-3-carboxamide::US10323000, Compound 113::US10676433, Compound 113

SMILES: C[C@@H]1CCC[C@](O)(CNC(=O)c2cn(C3CCOC3)c3cccc(Cl)c23)C1

InChI Key: InChIKey=XWTXIGLWIYPMNR-JQJUUAONSA-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 = 398176   

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))	BDBM398176 (4-chloro-N-(((1R,3R)-1-hydroxy-3-methyl cyclohexyl...) Show SMILES C[C@@H]1CCC[C@](O)(CNC(=O)c2cn(C3CCOC3)c3cccc(Cl)c23)C1 |r| Show InChI InChI=1S/C21H27ClN2O3/c1-14-4-3-8-21(26,10-14)13-23-20(25)16-11-24(15-7-9-27-12-15)18-6-2-5-17(22)19(16)18/h2,5-6,11,14-15,26H,3-4,7-10,12-13H2,1H3,(H,23,25)/t14-,15?,21-/m1/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
Interleukin-1 beta (Homo sapiens (Human))	BDBM398176 (4-chloro-N-(((1R,3R)-1-hydroxy-3-methyl cyclohexyl...) Show SMILES C[C@@H]1CCC[C@](O)(CNC(=O)c2cn(C3CCOC3)c3cccc(Cl)c23)C1 |r| Show InChI InChI=1S/C21H27ClN2O3/c1-14-4-3-8-21(26,10-14)13-23-20(25)16-11-24(15-7-9-27-12-15)18-6-2-5-17(22)19(16)18/h2,5-6,11,14-15,26H,3-4,7-10,12-13H2,1H3,(H,23,25)/t14-,15?,21-/m1/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))	BDBM398176 (4-chloro-N-(((1R,3R)-1-hydroxy-3-methyl cyclohexyl...) Show SMILES C[C@@H]1CCC[C@](O)(CNC(=O)c2cn(C3CCOC3)c3cccc(Cl)c23)C1 |r| Show InChI InChI=1S/C21H27ClN2O3/c1-14-4-3-8-21(26,10-14)13-23-20(25)16-11-24(15-7-9-27-12-15)18-6-2-5-17(22)19(16)18/h2,5-6,11,14-15,26H,3-4,7-10,12-13H2,1H3,(H,23,25)/t14-,15?,21-/m1/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
Interleukin-1 beta (Homo sapiens (Human))	BDBM398176 (4-chloro-N-(((1R,3R)-1-hydroxy-3-methyl cyclohexyl...) Show SMILES C[C@@H]1CCC[C@](O)(CNC(=O)c2cn(C3CCOC3)c3cccc(Cl)c23)C1 |r| Show InChI InChI=1S/C21H27ClN2O3/c1-14-4-3-8-21(26,10-14)13-23-20(25)16-11-24(15-7-9-27-12-15)18-6-2-5-17(22)19(16)18/h2,5-6,11,14-15,26H,3-4,7-10,12-13H2,1H3,(H,23,25)/t14-,15?,21-/m1/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