BDBM50116988 AcTQITWV-OH::CHEMBL310546

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C(C)C)C(O)=O

InChI Key: InChIKey=WSWHKZOCSWPBMT-LQMBXIJHSA-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 = 50116988   

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
Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 3 (Homo sapiens (Human))	BDBM50116988 (AcTQITWV-OH | CHEMBL310546) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C(C)C)C(O)=O Show InChI InChI=1S/C37H56N8O11/c1-8-18(4)29(44-32(50)25(13-14-27(38)49)41-35(53)30(19(5)46)40-21(7)48)34(52)45-31(20(6)47)36(54)42-26(33(51)43-28(17(2)3)37(55)56)15-22-16-39-24-12-10-9-11-23(22)24/h9-12,16-20,25-26,28-31,39,46-47H,8,13-15H2,1-7H3,(H2,38,49)(H,40,48)(H,41,53)(H,42,54)(H,43,51)(H,44,50)(H,45,52)(H,55,56)/t18-,19+,20+,25-,26-,28-,29-,30-,31-/m0/s1	PDB KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibitory concentration for MAGI-3 PDZ2 domain				Bioorg Med Chem Lett 12: 2471-4 (2002) BindingDB Entry DOI: 10.7270/Q2HQ40FV
					More data for this Ligand-Target Pair