BDBM17338 (2S)-2-{[(2S)-1-({2-[(1S)-1-aminoethyl]-1,3-oxazol-4-yl}carbonyl)pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanoic acid::AoxSPW

SMILES: C[C@H](N)c1nc(co1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O

InChI Key: InChIKey=FBRCDLGEWAXPMI-IWEFOYFVSA-N

Data: 1 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 1 hit for monomerid = 17338   

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))	BDBM17338 ((2S)-2-{[(2S)-1-({2-[(1S)-1-aminoethyl]-1,3-oxazol...) Show SMILES C[C@H](N)c1nc(co1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C22H25N5O5/c1-12(23)20-26-17(11-32-20)21(29)27-8-4-7-18(27)19(28)25-16(22(30)31)9-13-10-24-15-6-3-2-5-14(13)15/h2-3,5-6,10-12,16,18,24H,4,7-9,23H2,1H3,(H,25,28)(H,30,31)/t12-,16-,18-/m0/s1	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	3.00E+4	n/a	n/a	n/a	7.0	22
Princeton University					Assay Description AVPC-badan can be displaced from the binding pocket of the protein by test compounds. As the dye is displaced from the binding pocket, the emission i...				Bioorg Med Chem 15: 2935-43 (2007) Article DOI: 10.1016/j.bmc.2007.02.010 BindingDB Entry DOI: 10.7270/Q2KS6PT4
					More data for this Ligand-Target Pair				3D Structure (crystal)