BDBM50465639 CHEMBL4292374

SMILES: CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(cc1)C(F)(F)F)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=IXCFIOBPQJQGFM-ZMVGRULKSA-N

Data: 1 Kd

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50465639   

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))	BDBM50465639 (CHEMBL4292374) Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(cc1)C(F)(F)F)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C28H34F3N5O4/c1-17(33-2)25(38)35-22(16-19-10-12-20(13-11-19)28(29,30)31)27(40)36-14-6-9-23(36)26(39)34-21(24(32)37)15-18-7-4-3-5-8-18/h3-5,7-8,10-13,17,21-23,33H,6,9,14-16H2,1-2H3,(H2,32,37)(H,34,39)(H,35,38)/t17-,21-,22-,23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	213	n/a	n/a	n/a	n/a	n/a
University of California Riverside Curated by ChEMBL					Assay Description Binding affinity to N-terminal His-tagged human recombinant XIAP BIR3 (253 to 347 residues) expressed in Escherichia coli BL21(DE3) Gold by isotherma...				J Med Chem 61: 6350-6363 (2018) Article DOI: 10.1021/acs.jmedchem.8b00810 BindingDB Entry DOI: 10.7270/Q29W0J4S
					More data for this Ligand-Target Pair