BDBM50116992 CHEMBL407790::PFDEDQHTQIAKV

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(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(O)=O

InChI Key: InChIKey=DLZZZTDJZVAHQM-ISHBDNALSA-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 = 50116992   

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))	BDBM50116992 (CHEMBL407790 | PFDEDQHTQIAKV) 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(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(O)=O Show InChI InChI=1S/C67H102N18O23/c1-7-33(4)53(65(105)74-34(5)55(95)75-39(16-11-12-24-68)59(99)83-52(32(2)3)67(107)108)84-60(100)41(19-22-48(70)88)78-66(106)54(35(6)86)85-64(104)44(27-37-30-71-31-73-37)80-57(97)40(18-21-47(69)87)76-62(102)45(28-50(91)92)81-58(98)42(20-23-49(89)90)77-63(103)46(29-51(93)94)82-61(101)43(26-36-14-9-8-10-15-36)79-56(96)38-17-13-25-72-38/h8-10,14-15,30-35,38-46,52-54,72,86H,7,11-13,16-29,68H2,1-6H3,(H2,69,87)(H2,70,88)(H,71,73)(H,74,105)(H,75,95)(H,76,102)(H,77,103)(H,78,106)(H,79,96)(H,80,97)(H,81,98)(H,82,101)(H,83,99)(H,84,100)(H,85,104)(H,89,90)(H,91,92)(H,93,94)(H,107,108)/t33-,34-,35+,38-,39-,40-,41-,42-,43-,44-,45-,46-,52-,53-,54-/m0/s1	PDB KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.44E+4	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