BDBM50252746 CHEMBL492431::N-Ethyl-ETAV

SMILES: CCN[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(O)=O

InChI Key: InChIKey=MEXXBWHVPQDHNP-FYOXFVTASA-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 = 50252746   

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
Disks large homolog 4 (Homo sapiens (Human))	BDBM50252746 (CHEMBL492431 | N-Ethyl-ETAV) Show SMILES CCN[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(O)=O |r| Show InChI InChI=1S/C19H34N4O8/c1-6-20-12(7-8-13(25)26)17(28)23-15(11(5)24)18(29)21-10(4)16(27)22-14(9(2)3)19(30)31/h9-12,14-15,20,24H,6-8H2,1-5H3,(H,21,29)(H,22,27)(H,23,28)(H,25,26)(H,30,31)/t10-,11?,12-,14-,15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Binding affinity to human PSD95 domain PDZ1 expressed in Escherichia coli BL21-DE3 by fluorescence polarization assay				J Med Chem 51: 6450-9 (2008) Article DOI: 10.1021/jm800836w BindingDB Entry DOI: 10.7270/Q22807FQ
					More data for this Ligand-Target Pair
Disks large homolog 4 (Homo sapiens (Human))	BDBM50252746 (CHEMBL492431 | N-Ethyl-ETAV) Show SMILES CCN[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(O)=O |r| Show InChI InChI=1S/C19H34N4O8/c1-6-20-12(7-8-13(25)26)17(28)23-15(11(5)24)18(29)21-10(4)16(27)22-14(9(2)3)19(30)31/h9-12,14-15,20,24H,6-8H2,1-5H3,(H,21,29)(H,22,27)(H,23,28)(H,25,26)(H,30,31)/t10-,11?,12-,14-,15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Binding affinity to human PSD95 domain PDZ2 expressed in Escherichia coli BL21-DE3 by fluorescence polarization assay				J Med Chem 51: 6450-9 (2008) Article DOI: 10.1021/jm800836w BindingDB Entry DOI: 10.7270/Q22807FQ
					More data for this Ligand-Target Pair
Disks large homolog 4 (Homo sapiens (Human))	BDBM50252746 (CHEMBL492431 | N-Ethyl-ETAV) Show SMILES CCN[C@@H](CCC(O)=O)C(=O)N[C@@H](C(C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(O)=O |r| Show InChI InChI=1S/C19H34N4O8/c1-6-20-12(7-8-13(25)26)17(28)23-15(11(5)24)18(29)21-10(4)16(27)22-14(9(2)3)19(30)31/h9-12,14-15,20,24H,6-8H2,1-5H3,(H,21,29)(H,22,27)(H,23,28)(H,25,26)(H,30,31)/t10-,11?,12-,14-,15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Binding affinity to human PSD95 domain PDZ3 expressed in Escherichia coli BL21-DE3 by fluorescence polarization assay				J Med Chem 51: 6450-9 (2008) Article DOI: 10.1021/jm800836w BindingDB Entry DOI: 10.7270/Q22807FQ
					More data for this Ligand-Target Pair