BDBM102784 US8541572, 2215

SMILES: COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)C3(CN)NC(=O)NC3=O)C(=O)c2c1

InChI Key: InChIKey=JVMVFKOFVVLBAY-IKOFQBKESA-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 = 102784   

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))	BDBM102784 (US8541572, 2215) Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)C3(CN)NC(=O)NC3=O)C(=O)c2c1 |r| Show InChI InChI=1S/C25H22N6O6/c1-37-17-7-4-15-11-31(19(32)18(15)10-17)13-24(20(33)27-22(35)29-24)9-8-14-2-5-16(6-3-14)25(12-26)21(34)28-23(36)30-25/h2-7,10H,11-13,26H2,1H3,(H2,27,29,33,35)(H2,28,30,34,36)/t24-,25?/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	0.160	n/a	229	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