BDBM102844 US8541572, 926

SMILES: COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)C(N=O)N3CCN(CC3)C3CCCCC3)C(=O)c2c1

InChI Key: InChIKey=HFEYUSKLTLXTLZ-VCHQGTEKSA-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 = 102844   

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))	BDBM102844 (US8541572, 926) Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)C(N=O)N3CCN(CC3)C3CCCCC3)C(=O)c2c1 |r| Show InChI InChI=1S/C32H36N6O5/c1-43-26-12-11-24-20-38(29(39)27(24)19-26)21-32(30(40)33-31(41)34-32)14-13-22-7-9-23(10-8-22)28(35-42)37-17-15-36(16-18-37)25-5-3-2-4-6-25/h7-12,19,25,28H,2-6,15-18,20-21H2,1H3,(H2,33,34,40,41)/t28?,32-/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	0.110	n/a	76	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