BDBM50312335 (S)-5-(allyl(2-amino-2-oxoethyl)amino)-4-((S)-1-((S)-1-((S)-2-((2S,3R)-2-((S)-1-(2-((S)-N-allyl-1-(5-(3-(3',6'-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-6-yl)thioureido)pentanoyl)pyrrolidine-2-carboxamido)acetyl)pyrrolidine-2-carboxamido)-3-hydroxybutanamido)propanoyl)pyrrolidine-2-carbonyl)pyrrolidine-2-carboxamido)-5-oxopentanoic acid::CHEMBL1075927

SMILES: C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN(CC=C)C(=O)[C@@H]1CCCN1C(=O)CCCCNC(=S)Nc1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N(CC=C)CC(N)=O

InChI Key: InChIKey=YEFLSXYQOZLPPU-KNCIUDARSA-N

Data: 1 Kd

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 = 50312335   

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
Tumor susceptibility gene 101 protein (Homo sapiens (Human))	BDBM50312335 ((S)-5-(allyl(2-amino-2-oxoethyl)amino)-4-((S)-1-((...) Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN(CC=C)C(=O)[C@@H]1CCCN1C(=O)CCCCNC(=S)Nc1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N(CC=C)CC(N)=O |r| Show InChI InChI=1S/C68H84N12O18S/c1-5-27-75(36-54(69)84)63(93)47(24-25-57(87)88)73-59(89)49-14-10-31-79(49)65(95)51-16-12-32-80(51)62(92)38(3)71-61(91)58(39(4)81)74-60(90)48-13-9-29-77(48)56(86)37-76(28-6-2)64(94)50-15-11-30-78(50)55(85)17-7-8-26-70-67(99)72-40-18-21-43-46(33-40)68(98-66(43)96)44-22-19-41(82)34-52(44)97-53-35-42(83)20-23-45(53)68/h5-6,18-23,33-35,38-39,47-51,58,81-83H,1-2,7-17,24-32,36-37H2,3-4H3,(H2,69,84)(H,71,91)(H,73,89)(H,74,90)(H,87,88)(H2,70,72,99)/t38-,39+,47-,48-,49-,50-,51-,58-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	5.30E+4	n/a	n/a	n/a	n/a	n/a
National Cancer Institute-Frederick Curated by ChEMBL					Assay Description Binding affinity to ubiquitin E2 variant domain of human Tsg101 by fluorescent anisotropy				Bioorg Med Chem Lett 20: 318-21 (2010) Article DOI: 10.1016/j.bmcl.2009.10.105 BindingDB Entry DOI: 10.7270/Q2HH6K6F
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