BDBM102681 US8541572, 988

SMILES: CCC(=O)Oc1ccc(nc1-c1ccc(cc1)C#C[C@]1(CN2Cc3ccc(OC)cc3C2=O)NC(=O)NC1=O)-c1cnn(C)c1

InChI Key: InChIKey=APHLZAGMJQWDLY-MGBGTMOVSA-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 = 102681   

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))	BDBM102681 (US8541572, 988) Show SMILES CCC(=O)Oc1ccc(nc1-c1ccc(cc1)C#C[C@]1(CN2Cc3ccc(OC)cc3C2=O)NC(=O)NC1=O)-c1cnn(C)c1 |r| Show InChI InChI=1S/C33H28N6O6/c1-4-28(40)45-27-12-11-26(23-16-34-38(2)17-23)35-29(27)21-7-5-20(6-8-21)13-14-33(31(42)36-32(43)37-33)19-39-18-22-9-10-24(44-3)15-25(22)30(39)41/h5-12,15-17H,4,18-19H2,1-3H3,(H2,36,37,42,43)/t33-/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	0.115	n/a	55.9	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