BDBM324778 US10189840, Example 24

SMILES: CC(C)(O)c1ccc(cc1)-c1ccc2nc3C(F)CC(c4cc(F)ccc4C(F)(F)F)n3c2n1

InChI Key: InChIKey=JKYSVRSGDRBSCA-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 324778   

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
Tumor necrosis factor (Homo sapiens (Human))	BDBM324778 (US10189840, Example 24) Show SMILES CC(C)(O)c1ccc(cc1)-c1ccc2nc3C(F)CC(c4cc(F)ccc4C(F)(F)F)n3c2n1 |w:19.20,16.17| Show InChI InChI=1S/C25H20F5N3O/c1-24(2,34)14-5-3-13(4-6-14)19-9-10-20-23(31-19)33-21(12-18(27)22(33)32-20)16-11-15(26)7-8-17(16)25(28,29)30/h3-11,18,21,34H,12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 μM to ...				US Patent US10189840 (2019) BindingDB Entry DOI: 10.7270/Q26H4KHX
					More data for this Ligand-Target Pair