BDBM50116993 AcHTQITWV-OH::CHEMBL311026

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)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=NEEJOHZGPIHRDF-DECDRHMZSA-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 = 50116993   

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 (4) (Homo sapiens (Human))	BDBM50116993 (AcHTQITWV-OH | CHEMBL311026) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)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/C43H63N11O12/c1-8-21(4)34(52-37(59)29(13-14-32(44)58)49-41(63)35(22(5)55)53-39(61)31(48-24(7)57)16-26-18-45-19-47-26)40(62)54-36(23(6)56)42(64)50-30(38(60)51-33(20(2)3)43(65)66)15-25-17-46-28-12-10-9-11-27(25)28/h9-12,17-23,29-31,33-36,46,55-56H,8,13-16H2,1-7H3,(H2,44,58)(H,45,47)(H,48,57)(H,49,63)(H,50,64)(H,51,60)(H,52,59)(H,53,61)(H,54,62)(H,65,66)/t21-,22+,23+,29-,30-,31-,33-,34-,35-,36-/m0/s1	PDB KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.10E+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