BDBM398136 4-Chloro-1-oxetan-3-yl-1H-indole-3-carboxylic acid (2-cyclopentyl-2-phenyl-ethyl)-amide::US10323000, Compound 70::US10676433, Compound 70

SMILES: Clc1cccc2n(cc(C(=O)NCC(C3CCCC3)c3ccccc3)c12)C1COC1

InChI Key: InChIKey=PBLLXZFFNURZCS-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 = 398136   

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))	BDBM398136 (4-Chloro-1-oxetan-3-yl-1H-indole-3-carboxylic acid...) Show SMILES Clc1cccc2n(cc(C(=O)NCC(C3CCCC3)c3ccccc3)c12)C1COC1 Show InChI InChI=1S/C25H27ClN2O2/c26-22-11-6-12-23-24(22)21(14-28(23)19-15-30-16-19)25(29)27-13-20(18-9-4-5-10-18)17-7-2-1-3-8-17/h1-3,6-8,11-12,14,18-20H,4-5,9-10,13,15-16H2,(H,27,29)	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))	BDBM398136 (4-Chloro-1-oxetan-3-yl-1H-indole-3-carboxylic acid...) Show SMILES Clc1cccc2n(cc(C(=O)NCC(C3CCCC3)c3ccccc3)c12)C1COC1 Show InChI InChI=1S/C25H27ClN2O2/c26-22-11-6-12-23-24(22)21(14-28(23)19-15-30-16-19)25(29)27-13-20(18-9-4-5-10-18)17-7-2-1-3-8-17/h1-3,6-8,11-12,14,18-20H,4-5,9-10,13,15-16H2,(H,27,29)	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))	BDBM398136 (4-Chloro-1-oxetan-3-yl-1H-indole-3-carboxylic acid...) Show SMILES Clc1cccc2n(cc(C(=O)NCC(C3CCCC3)c3ccccc3)c12)C1COC1 Show InChI InChI=1S/C25H27ClN2O2/c26-22-11-6-12-23-24(22)21(14-28(23)19-15-30-16-19)25(29)27-13-20(18-9-4-5-10-18)17-7-2-1-3-8-17/h1-3,6-8,11-12,14,18-20H,4-5,9-10,13,15-16H2,(H,27,29)	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))	BDBM398136 (4-Chloro-1-oxetan-3-yl-1H-indole-3-carboxylic acid...) Show SMILES Clc1cccc2n(cc(C(=O)NCC(C3CCCC3)c3ccccc3)c12)C1COC1 Show InChI InChI=1S/C25H27ClN2O2/c26-22-11-6-12-23-24(22)21(14-28(23)19-15-30-16-19)25(29)27-13-20(18-9-4-5-10-18)17-7-2-1-3-8-17/h1-3,6-8,11-12,14,18-20H,4-5,9-10,13,15-16H2,(H,27,29)	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