BDBM50252754 CHEMBL538410::N-(3,4-Difluorophenyl)propyl-ETAV

SMILES: CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NCCc1ccc(F)c(F)c1)C(C)O)C(O)=O

InChI Key: InChIKey=VPSVLXPCERTAAH-WHJBMRRRSA-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 = 50252754   

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))	BDBM50252754 (CHEMBL538410 | N-(3,4-Difluorophenyl)propyl-ETAV) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NCCc1ccc(F)c(F)c1)C(C)O)C(O)=O |r| Show InChI InChI=1S/C25H36F2N4O8/c1-12(2)20(25(38)39)30-22(35)13(3)29-24(37)21(14(4)32)31-23(36)18(7-8-19(33)34)28-10-9-15-5-6-16(26)17(27)11-15/h5-6,11-14,18,20-21,28,32H,7-10H2,1-4H3,(H,29,37)(H,30,35)(H,31,36)(H,33,34)(H,38,39)/t13-,14?,18-,20-,21-/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	980	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))	BDBM50252754 (CHEMBL538410 | N-(3,4-Difluorophenyl)propyl-ETAV) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NCCc1ccc(F)c(F)c1)C(C)O)C(O)=O |r| Show InChI InChI=1S/C25H36F2N4O8/c1-12(2)20(25(38)39)30-22(35)13(3)29-24(37)21(14(4)32)31-23(36)18(7-8-19(33)34)28-10-9-15-5-6-16(26)17(27)11-15/h5-6,11-14,18,20-21,28,32H,7-10H2,1-4H3,(H,29,37)(H,30,35)(H,31,36)(H,33,34)(H,38,39)/t13-,14?,18-,20-,21-/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	1.00E+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))	BDBM50252754 (CHEMBL538410 | N-(3,4-Difluorophenyl)propyl-ETAV) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NCCc1ccc(F)c(F)c1)C(C)O)C(O)=O |r| Show InChI InChI=1S/C25H36F2N4O8/c1-12(2)20(25(38)39)30-22(35)13(3)29-24(37)21(14(4)32)31-23(36)18(7-8-19(33)34)28-10-9-15-5-6-16(26)17(27)11-15/h5-6,11-14,18,20-21,28,32H,7-10H2,1-4H3,(H,29,37)(H,30,35)(H,31,36)(H,33,34)(H,38,39)/t13-,14?,18-,20-,21-/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	7.80E+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 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