BDBM102680 US8541572, 987

SMILES: COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(c(F)c3)-c3nc(ccc3O)-c3cnn(C)c3)C(=O)c2c1F

InChI Key: InChIKey=YBOJHJQUOKIBQQ-SSEXGKCCSA-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 = 102680   

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))	BDBM102680 (US8541572, 987) Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(c(F)c3)-c3nc(ccc3O)-c3cnn(C)c3)C(=O)c2c1F |r| Show InChI InChI=1S/C30H22F2N6O5/c1-37-13-18(12-33-37)21-6-7-22(39)26(34-21)19-5-3-16(11-20(19)31)9-10-30(28(41)35-29(42)36-30)15-38-14-17-4-8-23(43-2)25(32)24(17)27(38)40/h3-8,11-13,39H,14-15H2,1-2H3,(H2,35,36,41,42)/t30-/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	0.0627	n/a	75.4	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