BDBM102832 US8541572, 909

SMILES: COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc4oc(cc4c3)C3(C)NC(=O)NC3=O)C(=O)c2c1

InChI Key: InChIKey=AXMVMINLDAIJSJ-SSYAZFEXSA-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 = 102832   

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))	BDBM102832 (US8541572, 909) Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc4oc(cc4c3)C3(C)NC(=O)NC3=O)C(=O)c2c1 |r| Show InChI InChI=1S/C27H21N5O7/c1-26(22(34)28-24(36)30-26)20-10-16-9-14(3-6-19(16)39-20)7-8-27(23(35)29-25(37)31-27)13-32-12-15-4-5-17(38-2)11-18(15)21(32)33/h3-6,9-11H,12-13H2,1-2H3,(H2,28,30,34,36)(H2,29,31,35,37)/t26?,27-/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	292	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
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