BDBM398250 4-Chloro-1-(2-morpholin-4-yl-2-oxo-ethyl)-1H-indole-3-carboxylic acid (4,4-difluoro-cyclohexylmethyl)-amide::US10323000, Compound 190::US10676433, Compound 190

SMILES: FC1(F)CCC(CNC(=O)c2cn(CC(=O)N3CCOCC3)c3cccc(Cl)c23)CC1

InChI Key: InChIKey=MLGGONKYUOQNCS-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 = 398250   

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))	BDBM398250 (4-Chloro-1-(2-morpholin-4-yl-2-oxo-ethyl)-1H-indol...) Show SMILES FC1(F)CCC(CNC(=O)c2cn(CC(=O)N3CCOCC3)c3cccc(Cl)c23)CC1 Show InChI InChI=1S/C22H26ClF2N3O3/c23-17-2-1-3-18-20(17)16(13-28(18)14-19(29)27-8-10-31-11-9-27)21(30)26-12-15-4-6-22(24,25)7-5-15/h1-3,13,15H,4-12,14H2,(H,26,30)	PDB KEGG UniProtKB/SwissProt 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 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))	BDBM398250 (4-Chloro-1-(2-morpholin-4-yl-2-oxo-ethyl)-1H-indol...) Show SMILES FC1(F)CCC(CNC(=O)c2cn(CC(=O)N3CCOCC3)c3cccc(Cl)c23)CC1 Show InChI InChI=1S/C22H26ClF2N3O3/c23-17-2-1-3-18-20(17)16(13-28(18)14-19(29)27-8-10-31-11-9-27)21(30)26-12-15-4-6-22(24,25)7-5-15/h1-3,13,15H,4-12,14H2,(H,26,30)	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))	BDBM398250 (4-Chloro-1-(2-morpholin-4-yl-2-oxo-ethyl)-1H-indol...) Show SMILES FC1(F)CCC(CNC(=O)c2cn(CC(=O)N3CCOCC3)c3cccc(Cl)c23)CC1 Show InChI InChI=1S/C22H26ClF2N3O3/c23-17-2-1-3-18-20(17)16(13-28(18)14-19(29)27-8-10-31-11-9-27)21(30)26-12-15-4-6-22(24,25)7-5-15/h1-3,13,15H,4-12,14H2,(H,26,30)	PDB KEGG UniProtKB/SwissProt 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 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))	BDBM398250 (4-Chloro-1-(2-morpholin-4-yl-2-oxo-ethyl)-1H-indol...) Show SMILES FC1(F)CCC(CNC(=O)c2cn(CC(=O)N3CCOCC3)c3cccc(Cl)c23)CC1 Show InChI InChI=1S/C22H26ClF2N3O3/c23-17-2-1-3-18-20(17)16(13-28(18)14-19(29)27-8-10-31-11-9-27)21(30)26-12-15-4-6-22(24,25)7-5-15/h1-3,13,15H,4-12,14H2,(H,26,30)	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