BDBM50427698 CHEMBL2324206

SMILES: CC(=O)N[C@@H](CCC(=O)NCCNc1cccc2c(cccc12)S(O)(=O)=O)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N([C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)NO)C(=O)c1ccccc1

InChI Key: InChIKey=VZHNNIDQCHBLRE-WNDGNIDMSA-N

Data: 3 KI

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 3 hits for monomerid = 50427698   

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
insulin-degrading enzyme isoform 1 precursor (Homo sapiens (Human))	BDBM50427698 (CHEMBL2324206) Show SMILES CC(=O)N[C@@H](CCC(=O)NCCNc1cccc2c(cccc12)S(O)(=O)=O)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N([C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)NO)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C57H57N7O12S/c1-36(65)60-47(28-29-52(67)59-31-30-58-46-20-10-19-45-44(46)18-11-21-51(45)77(74,75)76)53(68)62-49(33-38-23-26-43(66)27-24-38)57(72)64(56(71)41-15-6-3-7-16-41)50(35-37-12-4-2-5-13-37)55(70)61-48(54(69)63-73)34-39-22-25-40-14-8-9-17-42(40)32-39/h2-27,32,47-50,58,66,73H,28-31,33-35H2,1H3,(H,59,67)(H,60,65)(H,61,70)(H,62,68)(H,63,69)(H,74,75,76)/t47-,48+,49+,50+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Clinic Curated by ChEMBL					Assay Description Inhibition of human recombinant IDE-mediated fluorescein-Abeta-(1-40)-Lys-biotin degradation				J Med Chem 56: 2246-55 (2013) Article DOI: 10.1021/jm301280p BindingDB Entry DOI: 10.7270/Q2DB836R
					More data for this Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor (Homo sapiens (Human))	BDBM50427698 (CHEMBL2324206) Show SMILES CC(=O)N[C@@H](CCC(=O)NCCNc1cccc2c(cccc12)S(O)(=O)=O)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N([C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)NO)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C57H57N7O12S/c1-36(65)60-47(28-29-52(67)59-31-30-58-46-20-10-19-45-44(46)18-11-21-51(45)77(74,75)76)53(68)62-49(33-38-23-26-43(66)27-24-38)57(72)64(56(71)41-15-6-3-7-16-41)50(35-37-12-4-2-5-13-37)55(70)61-48(54(69)63-73)34-39-22-25-40-14-8-9-17-42(40)32-39/h2-27,32,47-50,58,66,73H,28-31,33-35H2,1H3,(H,59,67)(H,60,65)(H,61,70)(H,62,68)(H,63,69)(H,74,75,76)/t47-,48+,49+,50+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Clinic Curated by ChEMBL					Assay Description Inhibition of human recombinant IDE-mediated FRET1 degradation				J Med Chem 56: 2246-55 (2013) Article DOI: 10.1021/jm301280p BindingDB Entry DOI: 10.7270/Q2DB836R
					More data for this Ligand-Target Pair
insulin-degrading enzyme isoform 1 precursor (Homo sapiens (Human))	BDBM50427698 (CHEMBL2324206) Show SMILES CC(=O)N[C@@H](CCC(=O)NCCNc1cccc2c(cccc12)S(O)(=O)=O)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N([C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)NO)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C57H57N7O12S/c1-36(65)60-47(28-29-52(67)59-31-30-58-46-20-10-19-45-44(46)18-11-21-51(45)77(74,75)76)53(68)62-49(33-38-23-26-43(66)27-24-38)57(72)64(56(71)41-15-6-3-7-16-41)50(35-37-12-4-2-5-13-37)55(70)61-48(54(69)63-73)34-39-22-25-40-14-8-9-17-42(40)32-39/h2-27,32,47-50,58,66,73H,28-31,33-35H2,1H3,(H,59,67)(H,60,65)(H,61,70)(H,62,68)(H,63,69)(H,74,75,76)/t47-,48+,49+,50+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Mayo Clinic Curated by ChEMBL					Assay Description Inhibition of human recombinant IDE-mediated insulin degradation				J Med Chem 56: 2246-55 (2013) Article DOI: 10.1021/jm301280p BindingDB Entry DOI: 10.7270/Q2DB836R
					More data for this Ligand-Target Pair