BDBM102720 US8541572, 1311

SMILES: CCN1CCN(C(N=O)c2ccc(cc2F)C#C[C@]2(CN3Cc4ccc(OC)c(F)c4C3=O)NC(=O)NC2=O)[C@@H](C)C1

InChI Key: InChIKey=OCBISIUSASRRNI-HMKWYMSDSA-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 = 102720   

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))	BDBM102720 (US8541572, 1311) Show SMILES CCN1CCN(C(N=O)c2ccc(cc2F)C#C[C@]2(CN3Cc4ccc(OC)c(F)c4C3=O)NC(=O)NC2=O)[C@@H](C)C1 |r| Show InChI InChI=1S/C29H30F2N6O5/c1-4-35-11-12-37(17(2)14-35)25(34-41)20-7-5-18(13-21(20)30)9-10-29(27(39)32-28(40)33-29)16-36-15-19-6-8-22(42-3)24(31)23(19)26(36)38/h5-8,13,17,25H,4,11-12,14-16H2,1-3H3,(H2,32,33,39,40)/t17-,25?,29+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.180	n/a	69	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