BDBM50116990 CHEMBL266681::PFDEDQHTQITWV

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](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C(C)C)C(O)=O

InChI Key: InChIKey=HPEUMRSQJIMNNE-XUKHUTAZSA-N

Data: 1 IC50  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 2 hits for monomerid = 50116990   

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))	BDBM50116990 (CHEMBL266681 | PFDEDQHTQITWV) 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](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C(C)C)C(O)=O Show InChI InChI=1S/C73H102N18O24/c1-7-35(4)58(70(111)91-60(37(6)93)72(113)87-48(68(109)88-57(34(2)3)73(114)115)27-39-31-78-42-17-12-11-16-41(39)42)89-64(105)45(20-23-53(75)95)82-71(112)59(36(5)92)90-69(110)49(28-40-32-76-33-79-40)84-62(103)44(19-22-52(74)94)80-66(107)50(29-55(98)99)85-63(104)46(21-24-54(96)97)81-67(108)51(30-56(100)101)86-65(106)47(26-38-14-9-8-10-15-38)83-61(102)43-18-13-25-77-43/h8-12,14-17,31-37,43-51,57-60,77-78,92-93H,7,13,18-30H2,1-6H3,(H2,74,94)(H2,75,95)(H,76,79)(H,80,107)(H,81,108)(H,82,112)(H,83,102)(H,84,103)(H,85,104)(H,86,106)(H,87,113)(H,88,109)(H,89,105)(H,90,110)(H,91,111)(H,96,97)(H,98,99)(H,100,101)(H,114,115)/t35-,36+,37+,43-,44-,45-,46-,47-,48-,49-,50-,51-,57-,58-,59-,60-/m0/s1	PDB KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	740	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
Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 3 (Homo sapiens (Human))	BDBM50116990 (CHEMBL266681 | PFDEDQHTQITWV) 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](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C(C)C)C(O)=O Show InChI InChI=1S/C73H102N18O24/c1-7-35(4)58(70(111)91-60(37(6)93)72(113)87-48(68(109)88-57(34(2)3)73(114)115)27-39-31-78-42-17-12-11-16-41(39)42)89-64(105)45(20-23-53(75)95)82-71(112)59(36(5)92)90-69(110)49(28-40-32-76-33-79-40)84-62(103)44(19-22-52(74)94)80-66(107)50(29-55(98)99)85-63(104)46(21-24-54(96)97)81-67(108)51(30-56(100)101)86-65(106)47(26-38-14-9-8-10-15-38)83-61(102)43-18-13-25-77-43/h8-12,14-17,31-37,43-51,57-60,77-78,92-93H,7,13,18-30H2,1-6H3,(H2,74,94)(H2,75,95)(H,76,79)(H,80,107)(H,81,108)(H,82,112)(H,83,102)(H,84,103)(H,85,104)(H,86,106)(H,87,113)(H,88,109)(H,89,105)(H,90,110)(H,91,111)(H,96,97)(H,98,99)(H,100,101)(H,114,115)/t35-,36+,37+,43-,44-,45-,46-,47-,48-,49-,50-,51-,57-,58-,59-,60-/m0/s1	PDB KEGG B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	20	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