BDBM50252701 CHEMBL493258::ETAV

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

InChI Key: InChIKey=VWOKOWYAFVGHDQ-SXZQQOGPSA-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 = 50252701   

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))	BDBM50252701 (CHEMBL493258 | ETAV) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)O)C(O)=O |r| Show InChI InChI=1S/C17H30N4O8/c1-7(2)12(17(28)29)20-14(25)8(3)19-16(27)13(9(4)22)21-15(26)10(18)5-6-11(23)24/h7-10,12-13,22H,5-6,18H2,1-4H3,(H,19,27)(H,20,25)(H,21,26)(H,23,24)(H,28,29)/t8-,9?,10-,12-,13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	2.20E+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 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))	BDBM50252701 (CHEMBL493258 | ETAV) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)O)C(O)=O |r| Show InChI InChI=1S/C17H30N4O8/c1-7(2)12(17(28)29)20-14(25)8(3)19-16(27)13(9(4)22)21-15(26)10(18)5-6-11(23)24/h7-10,12-13,22H,5-6,18H2,1-4H3,(H,19,27)(H,20,25)(H,21,26)(H,23,24)(H,28,29)/t8-,9?,10-,12-,13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	2.90E+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 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))	BDBM50252701 (CHEMBL493258 | ETAV) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)O)C(O)=O |r| Show InChI InChI=1S/C17H30N4O8/c1-7(2)12(17(28)29)20-14(25)8(3)19-16(27)13(9(4)22)21-15(26)10(18)5-6-11(23)24/h7-10,12-13,22H,5-6,18H2,1-4H3,(H,19,27)(H,20,25)(H,21,26)(H,23,24)(H,28,29)/t8-,9?,10-,12-,13-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	2.60E+5	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