BDBM50116983 CHEMBL411352::PFDEDQHTQITKV

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@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(O)=O

InChI Key: InChIKey=ZHGGVDFSFGXHMF-MJYOQXNISA-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 = 50116983   

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))	BDBM50116983 (CHEMBL411352 | PFDEDQHTQITKV) 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@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(O)=O Show InChI InChI=1S/C68H104N18O24/c1-7-33(4)53(65(106)86-55(35(6)88)67(108)77-39(16-11-12-24-69)59(100)83-52(32(2)3)68(109)110)84-60(101)41(19-22-48(71)90)78-66(107)54(34(5)87)85-64(105)44(27-37-30-72-31-74-37)80-57(98)40(18-21-47(70)89)75-62(103)45(28-50(93)94)81-58(99)42(20-23-49(91)92)76-63(104)46(29-51(95)96)82-61(102)43(26-36-14-9-8-10-15-36)79-56(97)38-17-13-25-73-38/h8-10,14-15,30-35,38-46,52-55,73,87-88H,7,11-13,16-29,69H2,1-6H3,(H2,70,89)(H2,71,90)(H,72,74)(H,75,103)(H,76,104)(H,77,108)(H,78,107)(H,79,97)(H,80,98)(H,81,99)(H,82,102)(H,83,100)(H,84,101)(H,85,105)(H,86,106)(H,91,92)(H,93,94)(H,95,96)(H,109,110)/t33-,34+,35+,38-,39-,40-,41-,42-,43-,44-,45-,46-,52-,53-,54-,55-/m0/s1	PDB KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Dissociation constant for binding to 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