BDBM155971 US9018214, 22

SMILES: C[C@@H]1CN(CC(=O)N2CCc3ccc(cc23)C(F)(F)F)CCN1

InChI Key: InChIKey=BSQRABNHDCTXBE-LLVKDONJSA-N

Data: 3 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 3 hits for monomerid = 155971   

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))	BDBM155971 (US9018214, 22) Show SMILES C[C@@H]1CN(CC(=O)N2CCc3ccc(cc23)C(F)(F)F)CCN1 |r| Show InChI InChI=1S/C16H20F3N3O/c1-11-9-21(7-5-20-11)10-15(23)22-6-4-12-2-3-13(8-14(12)22)16(17,18)19/h2-3,8,11,20H,4-7,9-10H2,1H3/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.90E+3	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
Inhibitor of apoptosis protein 3 (Homo sapiens (Human))	BDBM155971 (US9018214, 22) Show SMILES C[C@@H]1CN(CC(=O)N2CCc3ccc(cc23)C(F)(F)F)CCN1 |r| Show InChI InChI=1S/C16H20F3N3O/c1-11-9-21(7-5-20-11)10-15(23)22-6-4-12-2-3-13(8-14(12)22)16(17,18)19/h2-3,8,11,20H,4-7,9-10H2,1H3/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Astex Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at XIAP-BIR3 domain (unknown origin) assessed as inhibition of interaction with SMAC by fluorescence polarization assay				J Med Chem 58: 6574-88 (2015) BindingDB Entry DOI: 10.7270/Q2DR2X8F
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 2 (Homo sapiens (Human))	BDBM155971 (US9018214, 22) Show SMILES C[C@@H]1CN(CC(=O)N2CCc3ccc(cc23)C(F)(F)F)CCN1 |r| Show InChI InChI=1S/C16H20F3N3O/c1-11-9-21(7-5-20-11)10-15(23)22-6-4-12-2-3-13(8-14(12)22)16(17,18)19/h2-3,8,11,20H,4-7,9-10H2,1H3/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.60E+4	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