BDBM398077 4-chloro-N-((4,4-difluorocyclohexyl)methyl)-1-(3,3,3-trifluoropropyl)-1H-indole-3-carboxamide::US10323000, Compound 13::US10676433, Compound 13

SMILES: FC(F)(F)CCn1cc(C(=O)NCC2CCC(F)(F)CC2)c2c(Cl)cccc12

InChI Key: InChIKey=GGDYUQIVEMLAOC-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 = 398077   

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))	BDBM398077 (4-chloro-N-((4,4-difluorocyclohexyl)methyl)-1-(3,3...) Show SMILES FC(F)(F)CCn1cc(C(=O)NCC2CCC(F)(F)CC2)c2c(Cl)cccc12 Show InChI InChI=1S/C19H20ClF5N2O/c20-14-2-1-3-15-16(14)13(11-27(15)9-8-19(23,24)25)17(28)26-10-12-4-6-18(21,22)7-5-12/h1-3,11-12H,4-10H2,(H,26,28)	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))	BDBM398077 (4-chloro-N-((4,4-difluorocyclohexyl)methyl)-1-(3,3...) Show SMILES FC(F)(F)CCn1cc(C(=O)NCC2CCC(F)(F)CC2)c2c(Cl)cccc12 Show InChI InChI=1S/C19H20ClF5N2O/c20-14-2-1-3-15-16(14)13(11-27(15)9-8-19(23,24)25)17(28)26-10-12-4-6-18(21,22)7-5-12/h1-3,11-12H,4-10H2,(H,26,28)	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))	BDBM398077 (4-chloro-N-((4,4-difluorocyclohexyl)methyl)-1-(3,3...) Show SMILES FC(F)(F)CCn1cc(C(=O)NCC2CCC(F)(F)CC2)c2c(Cl)cccc12 Show InChI InChI=1S/C19H20ClF5N2O/c20-14-2-1-3-15-16(14)13(11-27(15)9-8-19(23,24)25)17(28)26-10-12-4-6-18(21,22)7-5-12/h1-3,11-12H,4-10H2,(H,26,28)	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))	BDBM398077 (4-chloro-N-((4,4-difluorocyclohexyl)methyl)-1-(3,3...) Show SMILES FC(F)(F)CCn1cc(C(=O)NCC2CCC(F)(F)CC2)c2c(Cl)cccc12 Show InChI InChI=1S/C19H20ClF5N2O/c20-14-2-1-3-15-16(14)13(11-27(15)9-8-19(23,24)25)17(28)26-10-12-4-6-18(21,22)7-5-12/h1-3,11-12H,4-10H2,(H,26,28)	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