BDBM102736 US8541572, 1907

SMILES: COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3cncc(NC(=O)C4CCN(C)CC4)c3)C(=O)c2c1F

InChI Key: InChIKey=VEBZJOJBQZPEIO-HHHXNRCGSA-N

Data: 1 KI  1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 102736   

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))	BDBM102736 (US8541572, 1907) Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3cncc(NC(=O)C4CCN(C)CC4)c3)C(=O)c2c1F |r| Show InChI InChI=1S/C27H27FN6O5/c1-33-9-6-17(7-10-33)23(35)30-19-11-16(12-29-13-19)5-8-27(25(37)31-26(38)32-27)15-34-14-18-3-4-20(39-2)22(28)21(18)24(34)36/h3-4,11-13,17H,6-7,9-10,14-15H2,1-2H3,(H,30,35)(H2,31,32,37,38)/t27-/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	0.180	n/a	86	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