BDBM102715 US8541572, 1306

SMILES: COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(Nc4c(NCCN5CCOCC5)c(=O)c4=O)cc3)C(=O)c2c1

InChI Key: InChIKey=WNZOADFTOPLTQV-WJOKGBTCSA-N

Data: 1 KI  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 = 102715   

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))	BDBM102715 (US8541572, 1306) Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(Nc4c(NCCN5CCOCC5)c(=O)c4=O)cc3)C(=O)c2c1 |r| Show InChI InChI=1S/C31H30N6O7/c1-43-22-7-4-20-17-37(28(40)23(20)16-22)18-31(29(41)34-30(42)35-31)9-8-19-2-5-21(6-3-19)33-25-24(26(38)27(25)39)32-10-11-36-12-14-44-15-13-36/h2-7,16,32-33H,10-15,17-18H2,1H3,(H2,34,35,41,42)/t31-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.190	n/a	169	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Inhibition assay using TNF-alpha.				US Patent US8541572 (2013) BindingDB Entry DOI: 10.7270/Q2QC024J
					More data for this Ligand-Target Pair