BDBM102738 US8541572, 1909

SMILES: COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(NC(=O)C4CCN(C)CC4)cc3)C(=O)c2c1

InChI Key: InChIKey=RHFKYNSMBHVYRH-MUUNZHRXSA-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 = 102738   

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))	BDBM102738 (US8541572, 1909) Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(NC(=O)C4CCN(C)CC4)cc3)C(=O)c2c1 |r| Show InChI InChI=1S/C28H29N5O5/c1-32-13-10-19(11-14-32)24(34)29-21-6-3-18(4-7-21)9-12-28(26(36)30-27(37)31-28)17-33-16-20-5-8-22(38-2)15-23(20)25(33)35/h3-8,15,19H,10-11,13-14,16-17H2,1-2H3,(H,29,34)(H2,30,31,36,37)/t28-/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	0.170	n/a	78	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