BDBM398134 4-chloro-1-(oxetan-3-yl)-N-(spiro[2.5]octan-5-ylmethyl)-1H-indole-3-carboxamide::US10323000, Compound 68::US10676433, Compound 68

SMILES: Clc1cccc2n(cc(C(=O)NCC3CCCC4(CC4)C3)c12)C1COC1

InChI Key: InChIKey=KVMNMOFFNRRPQH-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 = 398134   

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))	BDBM398134 (4-chloro-1-(oxetan-3-yl)-N-(spiro[2.5]octan-5-ylme...) Show SMILES Clc1cccc2n(cc(C(=O)NCC3CCCC4(CC4)C3)c12)C1COC1 Show InChI InChI=1S/C21H25ClN2O2/c22-17-4-1-5-18-19(17)16(11-24(18)15-12-26-13-15)20(25)23-10-14-3-2-6-21(9-14)7-8-21/h1,4-5,11,14-15H,2-3,6-10,12-13H2,(H,23,25)	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))	BDBM398134 (4-chloro-1-(oxetan-3-yl)-N-(spiro[2.5]octan-5-ylme...) Show SMILES Clc1cccc2n(cc(C(=O)NCC3CCCC4(CC4)C3)c12)C1COC1 Show InChI InChI=1S/C21H25ClN2O2/c22-17-4-1-5-18-19(17)16(11-24(18)15-12-26-13-15)20(25)23-10-14-3-2-6-21(9-14)7-8-21/h1,4-5,11,14-15H,2-3,6-10,12-13H2,(H,23,25)	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))	BDBM398134 (4-chloro-1-(oxetan-3-yl)-N-(spiro[2.5]octan-5-ylme...) Show SMILES Clc1cccc2n(cc(C(=O)NCC3CCCC4(CC4)C3)c12)C1COC1 Show InChI InChI=1S/C21H25ClN2O2/c22-17-4-1-5-18-19(17)16(11-24(18)15-12-26-13-15)20(25)23-10-14-3-2-6-21(9-14)7-8-21/h1,4-5,11,14-15H,2-3,6-10,12-13H2,(H,23,25)	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))	BDBM398134 (4-chloro-1-(oxetan-3-yl)-N-(spiro[2.5]octan-5-ylme...) Show SMILES Clc1cccc2n(cc(C(=O)NCC3CCCC4(CC4)C3)c12)C1COC1 Show InChI InChI=1S/C21H25ClN2O2/c22-17-4-1-5-18-19(17)16(11-24(18)15-12-26-13-15)20(25)23-10-14-3-2-6-21(9-14)7-8-21/h1,4-5,11,14-15H,2-3,6-10,12-13H2,(H,23,25)	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