BDBM13174 (2S,4S)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-4-phenoxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide::Capped Tripeptide Analog 10::H-N-Me-Ala-Tle-(4S)-4-phenoxy-Pro-(R)-tetrahydronaphth-1-yl Amide

SMILES: CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)Oc1ccccc1)C(C)(C)C

InChI Key: InChIKey=QKPXPZYQPBWDHS-MCJAPYMPSA-N

Data: 2 Kd

PDB links: 1 PDB ID matches 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 2 hits for monomerid = 13174   

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))	BDBM13174 ((2S,4S)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamin...) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)Oc1ccccc1)C(C)(C)C Show InChI InChI=1S/C31H42N4O4/c1-20(32-5)28(36)34-27(31(2,3)4)30(38)35-19-23(39-22-14-7-6-8-15-22)18-26(35)29(37)33-25-17-11-13-21-12-9-10-16-24(21)25/h6-10,12,14-16,20,23,25-27,32H,11,13,17-19H2,1-5H3,(H,33,37)(H,34,36)/t20-,23-,25+,26-,27+/m0/s1	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	n/a	5	n/a	n/a	n/a	7.4	22
Abbott Laboratories					Assay Description A fluorescence polarization anisotropy (FPA) competition assay was used to determine the affinities of compounds to BIR3 protein. Fluorescence polari...				J Med Chem 47: 4417-26 (2004) Article DOI: 10.1021/jm040037k BindingDB Entry DOI: 10.7270/Q27M065Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
X-linked inhibitor of apoptosis protein (XIAP) (Homo sapiens (Human))	BDBM13174 ((2S,4S)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamin...) Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H]1CCCc2ccccc12)Oc1ccccc1)C(C)(C)C Show InChI InChI=1S/C31H42N4O4/c1-20(32-5)28(36)34-27(31(2,3)4)30(38)35-19-23(39-22-14-7-6-8-15-22)18-26(35)29(37)33-25-17-11-13-21-12-9-10-16-24(21)25/h6-10,12,14-16,20,23,25-27,32H,11,13,17-19H2,1-5H3,(H,33,37)(H,34,36)/t20-,23-,25+,26-,27+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a
Queen's University of Belfast Curated by ChEMBL					Assay Description Binding affinity to XIAP BIR3-domain (unknown origin)				Bioorg Med Chem 21: 5004-11 (2013) Article DOI: 10.1016/j.bmc.2013.06.055 BindingDB Entry DOI: 10.7270/Q2SQ91S4
					More data for this Ligand-Target Pair				3D Structure (crystal)