BDBM156120 US9018214, 171

SMILES: C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccccc4)cc23)[C@@H](Cn2cc(F)cn2)CN1

InChI Key: InChIKey=DBBWHLURUBJFKY-AUSIDOKSSA-N

Data: 2 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 2 hits for monomerid = 156120   

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
X-linked inhibitor of apoptosis protein (XIAP) (Homo sapiens (Human))	BDBM156120 (US9018214, 171) Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccccc4)cc23)[C@@H](Cn2cc(F)cn2)CN1 |r| Show InChI InChI=1S/C27H33FN6O/c1-19-14-32(23(13-29-19)16-33-15-22(28)12-31-33)17-25(35)34-18-27(2,3)26-24(34)10-21(11-30-26)9-20-7-5-4-6-8-20/h4-8,10-12,15,19,23,29H,9,13-14,16-18H2,1-3H3/t19-,23-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of SMAC-derived peptide abuRPFK (5 and 6FAM)-amide interaction with XIAP BIR3 domain (unknown origin) by fluorescence polarization assay				J Med Chem 60: 4611-4625 (2017) Article DOI: 10.1021/acs.jmedchem.6b01877 BindingDB Entry DOI: 10.7270/Q2KK9DX7
					More data for this Ligand-Target Pair
X-linked inhibitor of apoptosis protein (XIAP) (Homo sapiens (Human))	BDBM156120 (US9018214, 171) Show SMILES C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccccc4)cc23)[C@@H](Cn2cc(F)cn2)CN1 |r| Show InChI InChI=1S/C27H33FN6O/c1-19-14-32(23(13-29-19)16-33-15-22(28)12-31-33)17-25(35)34-18-27(2,3)26-24(34)10-21(11-30-26)9-20-7-5-4-6-8-20/h4-8,10-12,15,19,23,29H,9,13-14,16-18H2,1-3H3/t19-,23-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	110	n/a	n/a	n/a	n/a	7.5	25
Astex Therapeutics Limited US Patent					Assay Description Modified SMAC peptides and compounds were tested for their ability to displace the fluorescent tracer from either XIAP, clAP-1 or clAP-2. BIR3 domain...				US Patent US9018214 (2015) BindingDB Entry DOI: 10.7270/Q23T9FXQ
					More data for this Ligand-Target Pair