BDBM398185 (S)-1-(azetidin-2-ylmethyl)-4-chloro-N-((4,4-difluorocyclohexyl)methyl)-1H-indole-3-carboxamide::US10323000, Compound 122

SMILES: CC(C)(C)OC(=O)N1CC[C@H]1Cn1cc(C(=O)NCC2CCC(F)(F)CC2)c2c(Cl)cccc12

InChI Key: InChIKey=ALBOHFZHNNBACL-KRWDZBQOSA-N

Data: 2 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 2 hits for monomerid = 398185   

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
hIL-1beta (Homo sapiens (Human))	BDBM398185 ((S)-1-(azetidin-2-ylmethyl)-4-chloro-N-((4,4-diflu...) Show SMILES CC(C)(C)OC(=O)N1CC[C@H]1Cn1cc(C(=O)NCC2CCC(F)(F)CC2)c2c(Cl)cccc12 |r| Show InChI InChI=1S/C25H32ClF2N3O3/c1-24(2,3)34-23(33)31-12-9-17(31)14-30-15-18(21-19(26)5-4-6-20(21)30)22(32)29-13-16-7-10-25(27,28)11-8-16/h4-6,15-17H,7-14H2,1-3H3,(H,29,32)/t17-/m0/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
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM398185 ((S)-1-(azetidin-2-ylmethyl)-4-chloro-N-((4,4-diflu...) Show SMILES CC(C)(C)OC(=O)N1CC[C@H]1Cn1cc(C(=O)NCC2CCC(F)(F)CC2)c2c(Cl)cccc12 |r| Show InChI InChI=1S/C25H32ClF2N3O3/c1-24(2,3)34-23(33)31-12-9-17(31)14-30-15-18(21-19(26)5-4-6-20(21)30)22(32)29-13-16-7-10-25(27,28)11-8-16/h4-6,15-17H,7-14H2,1-3H3,(H,29,32)/t17-/m0/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