Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Disks large homolog 4' and Ligand = 'BDBM50252827'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50252827 (CHEMBL493688 | N-Cyclohexylethyl-ETAV) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NCCC1CCCCC1)C(C)O)C(O)=O |r| Show InChI InChI=1S/C25H44N4O8/c1-14(2)20(25(36)37)28-22(33)15(3)27-24(35)21(16(4)30)29-23(34)18(10-11-19(31)32)26-13-12-17-8-6-5-7-9-17/h14-18,20-21,26,30H,5-13H2,1-4H3,(H,27,35)(H,28,33)(H,29,34)(H,31,32)(H,36,37)/t15-,16?,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	450	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))	BDBM50252827 (CHEMBL493688 | N-Cyclohexylethyl-ETAV) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NCCC1CCCCC1)C(C)O)C(O)=O |r| Show InChI InChI=1S/C25H44N4O8/c1-14(2)20(25(36)37)28-22(33)15(3)27-24(35)21(16(4)30)29-23(34)18(10-11-19(31)32)26-13-12-17-8-6-5-7-9-17/h14-18,20-21,26,30H,5-13H2,1-4H3,(H,27,35)(H,28,33)(H,29,34)(H,31,32)(H,36,37)/t15-,16?,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	630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of PSD-95 PDZ2 domain by competitive fluorescence polarization assay				J Med Chem 54: 1333-46 (2011) Article DOI: 10.1021/jm1013924 BindingDB Entry DOI: 10.7270/Q2H13300
					More data for this Ligand-Target Pair
Disks large homolog 4 (Homo sapiens (Human))	BDBM50252827 (CHEMBL493688 | N-Cyclohexylethyl-ETAV) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NCCC1CCCCC1)C(C)O)C(O)=O |r| Show InChI InChI=1S/C25H44N4O8/c1-14(2)20(25(36)37)28-22(33)15(3)27-24(35)21(16(4)30)29-23(34)18(10-11-19(31)32)26-13-12-17-8-6-5-7-9-17/h14-18,20-21,26,30H,5-13H2,1-4H3,(H,27,35)(H,28,33)(H,29,34)(H,31,32)(H,36,37)/t15-,16?,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	940	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))	BDBM50252827 (CHEMBL493688 | N-Cyclohexylethyl-ETAV) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NCCC1CCCCC1)C(C)O)C(O)=O |r| Show InChI InChI=1S/C25H44N4O8/c1-14(2)20(25(36)37)28-22(33)15(3)27-24(35)21(16(4)30)29-23(34)18(10-11-19(31)32)26-13-12-17-8-6-5-7-9-17/h14-18,20-21,26,30H,5-13H2,1-4H3,(H,27,35)(H,28,33)(H,29,34)(H,31,32)(H,36,37)/t15-,16?,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	1.10E+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 Inhibition of PSD-95 PDZ3 domain by competitive fluorescence polarization assay				J Med Chem 54: 1333-46 (2011) Article DOI: 10.1021/jm1013924 BindingDB Entry DOI: 10.7270/Q2H13300
					More data for this Ligand-Target Pair
Disks large homolog 4 (Homo sapiens (Human))	BDBM50252827 (CHEMBL493688 | N-Cyclohexylethyl-ETAV) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NCCC1CCCCC1)C(C)O)C(O)=O |r| Show InChI InChI=1S/C25H44N4O8/c1-14(2)20(25(36)37)28-22(33)15(3)27-24(35)21(16(4)30)29-23(34)18(10-11-19(31)32)26-13-12-17-8-6-5-7-9-17/h14-18,20-21,26,30H,5-13H2,1-4H3,(H,27,35)(H,28,33)(H,29,34)(H,31,32)(H,36,37)/t15-,16?,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	1.10E+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