BDBM50339177 (2S,5S,8S,11S,14S,17S,20S,23S,26S)-23-((1H-imidazol-5-yl)methyl)-17-((1H-indol-3-yl)methyl)-26-((S)-2-((2S,3R)-2-((S)-2-acetamido-4-methylpentanamido)-3-hydroxybutanamido)-3-phenylpropanamido)-14-(4-acetamidobutyl)-1-amino-11-(3-amino-3-oxopropyl)-20-(4-hydroxybenzyl)-5-((R)-1-hydroxyethyl)-2-(hydroxymethyl)-8-isobutyl-1,4,7,10,13,16,19,22,25-nonaoxo-3,6,9,12,15,18,21,24-octaazanonacosan-29-oic acid::CHEMBL1689409

SMILES: CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O

InChI Key: InChIKey=GRFZNWPXNWLSQU-SEYRRILQSA-N

Data: 1 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 1 hit for monomerid = 50339177   

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
p53-Binding Protein HDMX (Homo sapiens (Human))	BDBM50339177 ((2S,5S,8S,11S,14S,17S,20S,23S,26S)-23-((1H-imidazo...) Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(C)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C78H110N18O21/c1-40(2)30-56(85-45(8)101)75(114)95-65(42(5)98)77(116)93-59(32-46-16-10-9-11-17-46)71(110)88-55(26-28-64(104)105)70(109)92-61(35-49-37-81-39-84-49)74(113)90-58(33-47-21-23-50(102)24-22-47)72(111)91-60(34-48-36-83-52-19-13-12-18-51(48)52)73(112)86-53(20-14-15-29-82-44(7)100)68(107)87-54(25-27-63(79)103)69(108)89-57(31-41(3)4)76(115)96-66(43(6)99)78(117)94-62(38-97)67(80)106/h9-13,16-19,21-24,36-37,39-43,53-62,65-66,83,97-99,102H,14-15,20,25-35,38H2,1-8H3,(H2,79,103)(H2,80,106)(H,81,84)(H,82,100)(H,85,101)(H,86,112)(H,87,107)(H,88,110)(H,89,108)(H,90,113)(H,91,111)(H,92,109)(H,93,116)(H,94,117)(H,95,114)(H,96,115)(H,104,105)/t42-,43-,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,65+,66+/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Inhibition of human GST-tagged MDMX expressed in Escherichia coli harboring integrated p53-Hmd2 protein assessed as blockade of enzyme-p53 interactio...				Bioorg Med Chem Lett 21: 1472-5 (2011) Article DOI: 10.1016/j.bmcl.2011.01.004 BindingDB Entry DOI: 10.7270/Q2M32W33
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