BDBM13155 (2S)-1-[(2S)-2-[(2S)-2-aminobutanamido]-3-methylbutanoyl]-N-benzylpyrrolidine-2-carboxamide::Smac peptido-mimetic 12b

SMILES: CC[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1

InChI Key: InChIKey=QLSCFXXQNWFPJE-BZSNNMDCSA-N

Data: 1 KI

PDB links: 4 PDB IDs contain this monomer as substructures. 4 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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 = 13155   

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
XIAP-BIR3 (Homo sapiens (Human))	BDBM13155 ((2S)-1-[(2S)-2-[(2S)-2-aminobutanamido]-3-methylbu...) Show SMILES CC[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C21H32N4O3/c1-4-16(22)19(26)24-18(14(2)3)21(28)25-12-8-11-17(25)20(27)23-13-15-9-6-5-7-10-15/h5-7,9-10,14,16-18H,4,8,11-13,22H2,1-3H3,(H,23,27)(H,24,26)/t16-,17-,18-/m0/s1	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	81	-9.57	n/a	n/a	n/a	n/a	n/a	7.5	22
University of Michigan					Assay Description A quantitative in vitro binding assay using the fluorescence polarization (FP) based method was developed and used to determine the binding affinity ...				Bioorg Med Chem Lett 15: 793-7 (2005) Article DOI: 10.1016/j.bmcl.2004.11.008 BindingDB Entry DOI: 10.7270/Q2H41PP8
					More data for this Ligand-Target Pair