BDBM324770 US10189840, Example 16

SMILES: CC(C)(O)c1ncc(cn1)-c1ccc2nc3C(F)CC(c4ccccc4OC(F)F)n3c2n1

InChI Key: InChIKey=BIICWYBWGDLGDM-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 = 324770   

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))	BDBM324770 (US10189840, Example 16) Show SMILES CC(C)(O)c1ncc(cn1)-c1ccc2nc3C(F)CC(c4ccccc4OC(F)F)n3c2n1 |w:19.20,16.17| Show InChI InChI=1S/C23H20F3N5O2/c1-23(2,32)21-27-10-12(11-28-21)15-7-8-16-20(29-15)31-17(9-14(24)19(31)30-16)13-5-3-4-6-18(13)33-22(25)26/h3-8,10-11,14,17,22,32H,9H2,1-2H3	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