Compile Data Set for Download or QSAR

Found 130 hits of ki for UniProtKB: P78352   

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))	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))	BDBM50339567 ((2S,5S,8S,11S)-11-(2-carboxyethyl)-14-cyclohexyl-8...) Show SMILES CC(C)[C@H](NC(=S)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NCCC1CCCCC1)[C@@H](C)O)C(O)=O |r| Show InChI InChI=1S/C25H44N4O7S/c1-14(2)20(25(35)36)29-24(37)15(3)27-23(34)21(16(4)30)28-22(33)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,27,34)(H,28,33)(H,29,37)(H,31,32)(H,35,36)/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))	BDBM50339545 ((4S,7S,10S,13S)-4-(2-carboxyethyl)-10-(carboxymeth...) Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NCCC1CCCCC1)[C@@H](C)O)C(O)=O |r| Show InChI InChI=1S/C26H44N4O10/c1-14(2)21(26(39)40)29-24(37)18(13-20(34)35)28-25(38)22(15(3)31)30-23(36)17(9-10-19(32)33)27-12-11-16-7-5-4-6-8-16/h14-18,21-22,27,31H,4-13H2,1-3H3,(H,28,38)(H,29,37)(H,30,36)(H,32,33)(H,34,35)(H,39,40)/t15-,17+,18+,21+,22+/m1/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	750	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))	BDBM50252828 (CHEMBL493689 | N-(Naphthalene-2-yl)ethyl-ETAV) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NCCc1ccc2ccccc2c1)C(C)O)C(O)=O |r| Show InChI InChI=1S/C29H40N4O8/c1-16(2)24(29(40)41)32-26(37)17(3)31-28(39)25(18(4)34)33-27(38)22(11-12-23(35)36)30-14-13-19-9-10-20-7-5-6-8-21(20)15-19/h5-10,15-18,22,24-25,30,34H,11-14H2,1-4H3,(H,31,39)(H,32,37)(H,33,38)(H,35,36)(H,40,41)/t17-,18?,22-,24-,25-/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	950	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	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))	BDBM50252828 (CHEMBL493689 | N-(Naphthalene-2-yl)ethyl-ETAV) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NCCc1ccc2ccccc2c1)C(C)O)C(O)=O |r| Show InChI InChI=1S/C29H40N4O8/c1-16(2)24(29(40)41)32-26(37)17(3)31-28(39)25(18(4)34)33-27(38)22(11-12-23(35)36)30-14-13-19-9-10-20-7-5-6-8-21(20)15-19/h5-10,15-18,22,24-25,30,34H,11-14H2,1-4H3,(H,31,39)(H,32,37)(H,33,38)(H,35,36)(H,40,41)/t17-,18?,22-,24-,25-/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 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))	BDBM50339569 ((2S,5S,8S,11S)-11-(2-carboxyethyl)-14-(3,4-dichlor...) Show SMILES CC(C)[C@H](NC(=S)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NCCc1ccc(Cl)c(Cl)c1)[C@@H](C)O)C(O)=O |r| Show InChI InChI=1S/C25H36Cl2N4O7S/c1-12(2)20(25(37)38)31-24(39)13(3)29-23(36)21(14(4)32)30-22(35)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,29,36)(H,30,35)(H,31,39)(H,33,34)(H,37,38)/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 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))	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))	BDBM50252826 (CHEMBL494486 | N-Cyclohexylmethyl-ETAV) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NCC1CCCCC1)C(C)O)C(O)=O |r| Show InChI InChI=1S/C24H42N4O8/c1-13(2)19(24(35)36)27-21(32)14(3)26-23(34)20(15(4)29)28-22(33)17(10-11-18(30)31)25-12-16-8-6-5-7-9-16/h13-17,19-20,25,29H,5-12H2,1-4H3,(H,26,34)(H,27,32)(H,28,33)(H,30,31)(H,35,36)/t14-,15?,17-,19-,20-/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 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))	BDBM50339568 ((2S,5S,8S,11S)-11-(2-carboxyethyl)-8-((R)-1-hydrox...) Show SMILES CC(C)[C@H](NC(=S)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NCCc1ccc2ccccc2c1)[C@@H](C)O)C(O)=O |r| Show InChI InChI=1S/C29H40N4O7S/c1-16(2)24(29(39)40)33-28(41)17(3)31-27(38)25(18(4)34)32-26(37)22(11-12-23(35)36)30-14-13-19-9-10-20-7-5-6-8-21(20)15-19/h5-10,15-18,22,24-25,30,34H,11-14H2,1-4H3,(H,31,38)(H,32,37)(H,33,41)(H,35,36)(H,39,40)/t17-,18+,22-,24-,25-/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+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 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))	BDBM50252753 (CHEMBL495100 | N-(3,4-Dichlorophenyl)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(Cl)c(Cl)c1)C(C)O)C(O)=O |r| Show InChI InChI=1S/C25H36Cl2N4O8/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	1.10E+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))	BDBM50339548 ((2S,5S,8S,11S)-11-(2-carboxyethyl)-5-(carboxymethy...) Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NCCc1ccc(Cl)c(Cl)c1)[C@@H](C)O)C(O)=O |r| Show InChI InChI=1S/C26H36Cl2N4O10/c1-12(2)21(26(41)42)31-24(39)18(11-20(36)37)30-25(40)22(13(3)33)32-23(38)17(6-7-19(34)35)29-9-8-14-4-5-15(27)16(28)10-14/h4-5,10,12-13,17-18,21-22,29,33H,6-9,11H2,1-3H3,(H,30,40)(H,31,39)(H,32,38)(H,34,35)(H,36,37)(H,41,42)/t13-,17+,18+,21+,22+/m1/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	1.20E+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 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))	BDBM50339555 ((2S,5S,8S,11S)-11-(2-carboxyethyl)-14-cycloheptyl-...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NCCC1CCCCCC1)[C@@H](C)O)C(O)=O |r| Show InChI InChI=1S/C26H46N4O8/c1-15(2)21(26(37)38)29-23(34)16(3)28-25(36)22(17(4)31)30-24(35)19(11-12-20(32)33)27-14-13-18-9-7-5-6-8-10-18/h15-19,21-22,27,31H,5-14H2,1-4H3,(H,28,36)(H,29,34)(H,30,35)(H,32,33)(H,37,38)/t16-,17+,19-,21-,22-/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	1.20E+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 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))	BDBM50339552 ((3S,6S,9S,12S)-1-(bicyclo[2.2.1]heptan-2-yl)-3-(2-...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NCC1CC2CCC1C2)[C@@H](C)O)C(O)=O |r| Show InChI InChI=1S/C25H42N4O8/c1-12(2)20(25(36)37)28-22(33)13(3)27-24(35)21(14(4)30)29-23(34)18(7-8-19(31)32)26-11-17-10-15-5-6-16(17)9-15/h12-18,20-21,26,30H,5-11H2,1-4H3,(H,27,35)(H,28,33)(H,29,34)(H,31,32)(H,36,37)/t13-,14+,15?,16?,17?,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	1.30E+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 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))	BDBM50252826 (CHEMBL494486 | N-Cyclohexylmethyl-ETAV) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NCC1CCCCC1)C(C)O)C(O)=O |r| Show InChI InChI=1S/C24H42N4O8/c1-13(2)19(24(35)36)27-21(32)14(3)26-23(34)20(15(4)29)28-22(33)17(10-11-18(30)31)25-12-16-8-6-5-7-9-16/h13-17,19-20,25,29H,5-12H2,1-4H3,(H,26,34)(H,27,32)(H,28,33)(H,30,31)(H,35,36)/t14-,15?,17-,19-,20-/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	1.30E+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 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))	BDBM50339554 ((3S,6S,9S,12S)-3-(2-carboxyethyl)-1-cycloheptyl-6-...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NCC1CCCCCC1)[C@@H](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(11-12-19(31)32)26-13-17-9-7-5-6-8-10-17/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	1.40E+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 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))	BDBM50339553 ((2S,5S,8S,11S)-14-(bicyclo[2.2.1]heptan-2-yl)-11-(...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NCCC1CC2CCC1C2)[C@@H](C)O)C(O)=O |r| Show InChI InChI=1S/C26H44N4O8/c1-13(2)21(26(37)38)29-23(34)14(3)28-25(36)22(15(4)31)30-24(35)19(7-8-20(32)33)27-10-9-18-12-16-5-6-17(18)11-16/h13-19,21-22,27,31H,5-12H2,1-4H3,(H,28,36)(H,29,34)(H,30,35)(H,32,33)(H,37,38)/t14-,15+,16?,17?,18?,19-,21-,22-/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	1.50E+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 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))	BDBM50252715 (CHEMBL494895 | N-Phenylethyl-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/C25H38N4O8/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/h5-9,14-16,18,20-21,26,30H,10-13H2,1-4H3,(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	1.60E+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))	BDBM50339556 ((2S,5S,8S,11S)-11-(2-carboxyethyl)-8-((R)-1-hydrox...) 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)c1F)[C@@H](C)O)C(O)=O |r| Show InChI InChI=1S/C25H35F3N4O8/c1-11(2)20(25(39)40)31-22(36)12(3)30-24(38)21(13(4)33)32-23(37)16(7-8-17(34)35)29-10-9-14-5-6-15(26)19(28)18(14)27/h5-6,11-13,16,20-21,29,33H,7-10H2,1-4H3,(H,30,38)(H,31,36)(H,32,37)(H,34,35)(H,39,40)/t12-,13+,16-,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	1.80E+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 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))	BDBM50339547 ((2S,5S,8S,11S)-11-(2-carboxyethyl)-5-(carboxymethy...) Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NCCc1ccc2ccccc2c1)[C@@H](C)O)C(O)=O |r| Show InChI InChI=1S/C30H40N4O10/c1-16(2)25(30(43)44)33-28(41)22(15-24(38)39)32-29(42)26(17(3)35)34-27(40)21(10-11-23(36)37)31-13-12-18-8-9-19-6-4-5-7-20(19)14-18/h4-9,14,16-17,21-22,25-26,31,35H,10-13,15H2,1-3H3,(H,32,42)(H,33,41)(H,34,40)(H,36,37)(H,38,39)(H,43,44)/t17-,21+,22+,25+,26+/m1/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	1.80E+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 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))	BDBM50253144 (CHEMBL505051 | KSG-LDTKNYKQTSV) Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(O)=O |r| Show InChI InChI=1S/C67H113N19O24/c1-32(2)25-42(75-50(94)29-74-56(98)46(30-87)82-55(97)38(71)13-7-10-22-68)60(102)81-45(28-51(95)96)63(105)86-53(34(5)89)65(107)78-40(15-9-12-24-70)58(100)80-44(27-49(73)93)62(104)79-43(26-36-16-18-37(91)19-17-36)61(103)76-39(14-8-11-23-69)57(99)77-41(20-21-48(72)92)59(101)85-54(35(6)90)66(108)83-47(31-88)64(106)84-52(33(3)4)67(109)110/h16-19,32-35,38-47,52-54,87-91H,7-15,20-31,68-71H2,1-6H3,(H2,72,92)(H2,73,93)(H,74,98)(H,75,94)(H,76,103)(H,77,99)(H,78,107)(H,79,104)(H,80,100)(H,81,102)(H,82,97)(H,83,108)(H,84,106)(H,85,101)(H,86,105)(H,95,96)(H,109,110)/t34-,35-,38+,39+,40+,41+,42+,43+,44+,45+,46+,47+,52+,53+,54+/m1/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	2.10E+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
Disks large homolog 4 (Homo sapiens (Human))	BDBM50252752 (CHEMBL495099 | N-Phenylpropyl-ETAV) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NCCCc1ccccc1)C(C)O)C(O)=O |r| Show InChI InChI=1S/C26H40N4O8/c1-15(2)21(26(37)38)29-23(34)16(3)28-25(36)22(17(4)31)30-24(35)19(12-13-20(32)33)27-14-8-11-18-9-6-5-7-10-18/h5-7,9-10,15-17,19,21-22,27,31H,8,11-14H2,1-4H3,(H,28,36)(H,29,34)(H,30,35)(H,32,33)(H,37,38)/t16-,17?,19-,21-,22-/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	2.10E+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))	BDBM50339551 ((S)-2-[(S)-2-((2S,3R)-2-{(S)-2-[(Adamantan-1-ylmet...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NCC12CC3CC(CC(C3)C1)C2)[C@@H](C)O)C(O)=O |r,TLB:33:24:31:27.28.29,23:24:27:31.30.29,23:24:31:27.28.29,THB:33:28:31:25.24.32,32:24:27:31.30.29,32:30:27:25.24.33| Show InChI InChI=1S/C28H46N4O8/c1-14(2)22(27(39)40)31-24(36)15(3)30-26(38)23(16(4)33)32-25(37)20(5-6-21(34)35)29-13-28-10-17-7-18(11-28)9-19(8-17)12-28/h14-20,22-23,29,33H,5-13H2,1-4H3,(H,30,38)(H,31,36)(H,32,37)(H,34,35)(H,39,40)/t15-,16+,17?,18?,19?,20-,22-,23-,28?/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	2.10E+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 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))	BDBM50252713 (CHEMBL492642 | FETAV) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)Cc1ccccc1)C(C)O)C(O)=O |r| Show InChI InChI=1S/C26H39N5O9/c1-13(2)20(26(39)40)30-22(35)14(3)28-25(38)21(15(4)32)31-24(37)18(10-11-19(33)34)29-23(36)17(27)12-16-8-6-5-7-9-16/h5-9,13-15,17-18,20-21,32H,10-12,27H2,1-4H3,(H,28,38)(H,29,36)(H,30,35)(H,31,37)(H,33,34)(H,39,40)/t14-,15?,17-,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	2.30E+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 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))	BDBM50252753 (CHEMBL495100 | N-(3,4-Dichlorophenyl)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(Cl)c(Cl)c1)C(C)O)C(O)=O |r| Show InChI InChI=1S/C25H36Cl2N4O8/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	2.40E+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))	BDBM50252752 (CHEMBL495099 | N-Phenylpropyl-ETAV) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NCCCc1ccccc1)C(C)O)C(O)=O |r| Show InChI InChI=1S/C26H40N4O8/c1-15(2)21(26(37)38)29-23(34)16(3)28-25(36)22(17(4)31)30-24(35)19(12-13-20(32)33)27-14-8-11-18-9-6-5-7-10-18/h5-7,9-10,15-17,19,21-22,27,31H,8,11-14H2,1-4H3,(H,28,36)(H,29,34)(H,30,35)(H,32,33)(H,37,38)/t16-,17?,19-,21-,22-/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	3.10E+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))	BDBM50339539 ((4S,7S,10S,13S)-10-(carboxymethyl)-1-cyclohexyl-7-...) Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NCCC1CCCCC1)[C@@H](C)O)C(O)=O |r| Show InChI InChI=1S/C24H42N4O8/c1-13(2)19(24(35)36)27-22(33)17(12-18(30)31)26-23(34)20(15(4)29)28-21(32)14(3)25-11-10-16-8-6-5-7-9-16/h13-17,19-20,25,29H,5-12H2,1-4H3,(H,26,34)(H,27,33)(H,28,32)(H,30,31)(H,35,36)/t14-,15+,17-,19-,20-/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	3.60E+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 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))	BDBM50252825 (CHEMBL494485 | N-Butyl-ETAV) Show SMILES CCCCN[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/C21H38N4O8/c1-6-7-10-22-14(8-9-15(27)28)19(30)25-17(13(5)26)20(31)23-12(4)18(29)24-16(11(2)3)21(32)33/h11-14,16-17,22,26H,6-10H2,1-5H3,(H,23,31)(H,24,29)(H,25,30)(H,27,28)(H,32,33)/t12-,13?,14-,16-,17-/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	4.00E+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))	BDBM50253143 (CHEMBL445253 | KSG-YEKLSSIESDV) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(O)=O |r| Show InChI InChI=1S/C66H108N16O26/c1-7-34(6)53(65(106)74-40(19-21-50(91)92)58(99)78-45(29-84)62(103)76-43(26-51(93)94)61(102)81-52(33(4)5)66(107)108)82-64(105)47(31-86)80-63(104)46(30-85)79-59(100)41(24-32(2)3)75-56(97)38(13-9-11-23-68)72-57(98)39(18-20-49(89)90)73-60(101)42(25-35-14-16-36(87)17-15-35)71-48(88)27-70-55(96)44(28-83)77-54(95)37(69)12-8-10-22-67/h14-17,32-34,37-47,52-53,83-87H,7-13,18-31,67-69H2,1-6H3,(H,70,96)(H,71,88)(H,72,98)(H,73,101)(H,74,106)(H,75,97)(H,76,103)(H,77,95)(H,78,99)(H,79,100)(H,80,104)(H,81,102)(H,82,105)(H,89,90)(H,91,92)(H,93,94)(H,107,108)/t34-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,52-,53-/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	4.10E+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))	BDBM50252824 (CHEMBL494287 | N-Propyl-ETAV) Show SMILES CCCN[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/C20H36N4O8/c1-6-9-21-13(7-8-14(26)27)18(29)24-16(12(5)25)19(30)22-11(4)17(28)23-15(10(2)3)20(31)32/h10-13,15-16,21,25H,6-9H2,1-5H3,(H,22,30)(H,23,28)(H,24,29)(H,26,27)(H,31,32)/t11-,12?,13-,15-,16-/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	4.20E+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))	BDBM50339557 ((2S,5S,8S,11S)-11-(2-carboxyethyl)-8-((R)-1-hydrox...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NCCCc1ccc(F)c(F)c1F)[C@@H](C)O)C(O)=O |r| Show InChI InChI=1S/C26H37F3N4O8/c1-12(2)21(26(40)41)32-23(37)13(3)31-25(39)22(14(4)34)33-24(38)17(9-10-18(35)36)30-11-5-6-15-7-8-16(27)20(29)19(15)28/h7-8,12-14,17,21-22,30,34H,5-6,9-11H2,1-4H3,(H,31,39)(H,32,37)(H,33,38)(H,35,36)(H,40,41)/t13-,14+,17-,21-,22-/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	4.20E+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 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))	BDBM50339546 ((4S,7S,10S,13S)-4-(3-amino-3-oxopropyl)-10-(carbox...) Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NCCC1CCCCC1)[C@@H](C)O)C(O)=O |r| Show InChI InChI=1S/C26H45N5O9/c1-14(2)21(26(39)40)30-24(37)18(13-20(34)35)29-25(38)22(15(3)32)31-23(36)17(9-10-19(27)33)28-12-11-16-7-5-4-6-8-16/h14-18,21-22,28,32H,4-13H2,1-3H3,(H2,27,33)(H,29,38)(H,30,37)(H,31,36)(H,34,35)(H,39,40)/t15-,17+,18+,21+,22+/m1/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	4.40E+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 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))	BDBM50253145 (CHEMBL502630 | YGRKKRRQRRR-KLSSIESDV) Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](-[#8])=O |r| Show InChI InChI=1S/C105H188N42O30/c1-7-55(6)80(98(175)140-69(34-36-77(154)155)92(169)143-72(50-148)95(172)142-71(48-78(156)157)94(171)146-79(54(4)5)99(176)177)147-97(174)74(52-150)145-96(173)73(51-149)144-93(170)70(46-53(2)3)141-90(167)62(22-10-13-39-108)133-85(162)63(24-15-41-124-101(113)114)135-87(164)65(26-17-43-126-103(117)118)136-88(165)66(27-18-44-127-104(119)120)138-91(168)68(33-35-75(110)152)139-89(166)67(28-19-45-128-105(121)122)137-86(163)64(25-16-42-125-102(115)116)134-84(161)61(21-9-12-38-107)132-83(160)60(20-8-11-37-106)131-82(159)59(23-14-40-123-100(111)112)130-76(153)49-129-81(158)58(109)47-56-29-31-57(151)32-30-56/h29-32,53-55,58-74,79-80,148-151H,7-28,33-52,106-109H2,1-6H3,(H2,110,152)(H,129,158)(H,130,153)(H,131,159)(H,132,160)(H,133,162)(H,134,161)(H,135,164)(H,136,165)(H,137,163)(H,138,168)(H,139,166)(H,140,175)(H,141,167)(H,142,172)(H,143,169)(H,144,170)(H,145,173)(H,146,171)(H,147,174)(H,154,155)(H,156,157)(H,176,177)(H4,111,112,123)(H4,113,114,124)(H4,115,116,125)(H4,117,118,126)(H4,119,120,127)(H4,121,122,128)/t55-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,79-,80-/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	4.40E+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))	BDBM50252715 (CHEMBL494895 | N-Phenylethyl-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/C25H38N4O8/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/h5-9,14-16,18,20-21,26,30H,10-13H2,1-4H3,(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	4.40E+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))	BDBM50253145 (CHEMBL502630 | YGRKKRRQRRR-KLSSIESDV) Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](-[#8])=O |r| Show InChI InChI=1S/C105H188N42O30/c1-7-55(6)80(98(175)140-69(34-36-77(154)155)92(169)143-72(50-148)95(172)142-71(48-78(156)157)94(171)146-79(54(4)5)99(176)177)147-97(174)74(52-150)145-96(173)73(51-149)144-93(170)70(46-53(2)3)141-90(167)62(22-10-13-39-108)133-85(162)63(24-15-41-124-101(113)114)135-87(164)65(26-17-43-126-103(117)118)136-88(165)66(27-18-44-127-104(119)120)138-91(168)68(33-35-75(110)152)139-89(166)67(28-19-45-128-105(121)122)137-86(163)64(25-16-42-125-102(115)116)134-84(161)61(21-9-12-38-107)132-83(160)60(20-8-11-37-106)131-82(159)59(23-14-40-123-100(111)112)130-76(153)49-129-81(158)58(109)47-56-29-31-57(151)32-30-56/h29-32,53-55,58-74,79-80,148-151H,7-28,33-52,106-109H2,1-6H3,(H2,110,152)(H,129,158)(H,130,153)(H,131,159)(H,132,160)(H,133,162)(H,134,161)(H,135,164)(H,136,165)(H,137,163)(H,138,168)(H,139,166)(H,140,175)(H,141,167)(H,142,172)(H,143,169)(H,144,170)(H,145,173)(H,146,171)(H,147,174)(H,154,155)(H,156,157)(H,176,177)(H4,111,112,123)(H4,113,114,124)(H4,115,116,125)(H4,117,118,126)(H4,119,120,127)(H4,121,122,128)/t55-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,79-,80-/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	4.40E+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 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))	BDBM50339558 ((2S,5S,8S,11S)-11-(2-carboxyethyl)-8-((R)-1-hydrox...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NCCCc1ccc2ccccc2c1)[C@@H](C)O)C(O)=O |r| Show InChI InChI=1S/C30H42N4O8/c1-17(2)25(30(41)42)33-27(38)18(3)32-29(40)26(19(4)35)34-28(39)23(13-14-24(36)37)31-15-7-8-20-11-12-21-9-5-6-10-22(21)16-20/h5-6,9-12,16-19,23,25-26,31,35H,7-8,13-15H2,1-4H3,(H,32,40)(H,33,38)(H,34,39)(H,36,37)(H,41,42)/t18-,19+,23-,25-,26-/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	5.00E+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 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))	BDBM50252714 (CHEMBL492643 | N-Benzyl-ETAV) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NCc1ccccc1)C(C)O)C(O)=O |r| Show InChI InChI=1S/C24H36N4O8/c1-13(2)19(24(35)36)27-21(32)14(3)26-23(34)20(15(4)29)28-22(33)17(10-11-18(30)31)25-12-16-8-6-5-7-9-16/h5-9,13-15,17,19-20,25,29H,10-12H2,1-4H3,(H,26,34)(H,27,32)(H,28,33)(H,30,31)(H,35,36)/t14-,15?,17-,19-,20-/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	5.20E+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))	BDBM50252713 (CHEMBL492642 | FETAV) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)Cc1ccccc1)C(C)O)C(O)=O |r| Show InChI InChI=1S/C26H39N5O9/c1-13(2)20(26(39)40)30-22(35)14(3)28-25(38)21(15(4)32)31-24(37)18(10-11-19(33)34)29-23(36)17(27)12-16-8-6-5-7-9-16/h5-9,13-15,17-18,20-21,32H,10-12,27H2,1-4H3,(H,28,38)(H,29,36)(H,30,35)(H,31,37)(H,33,34)(H,39,40)/t14-,15?,17-,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	6.30E+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))	BDBM50252753 (CHEMBL495100 | N-(3,4-Dichlorophenyl)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(Cl)c(Cl)c1)C(C)O)C(O)=O |r| Show InChI InChI=1S/C25H36Cl2N4O8/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	6.70E+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
Disks large homolog 4 (Homo sapiens (Human))	BDBM50339551 ((S)-2-[(S)-2-((2S,3R)-2-{(S)-2-[(Adamantan-1-ylmet...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NCC12CC3CC(CC(C3)C1)C2)[C@@H](C)O)C(O)=O |r,TLB:33:24:31:27.28.29,23:24:27:31.30.29,23:24:31:27.28.29,THB:33:28:31:25.24.32,32:24:27:31.30.29,32:30:27:25.24.33| Show InChI InChI=1S/C28H46N4O8/c1-14(2)22(27(39)40)31-24(36)15(3)30-26(38)23(16(4)33)32-25(37)20(5-6-21(34)35)29-13-28-10-17-7-18(11-28)9-19(8-17)12-28/h14-20,22-23,29,33H,5-13H2,1-4H3,(H,30,38)(H,31,36)(H,32,37)(H,34,35)(H,39,40)/t15-,16+,17?,18?,19?,20-,22-,23-,28?/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	6.70E+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 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))	BDBM50253143 (CHEMBL445253 | KSG-YEKLSSIESDV) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(O)=O |r| Show InChI InChI=1S/C66H108N16O26/c1-7-34(6)53(65(106)74-40(19-21-50(91)92)58(99)78-45(29-84)62(103)76-43(26-51(93)94)61(102)81-52(33(4)5)66(107)108)82-64(105)47(31-86)80-63(104)46(30-85)79-59(100)41(24-32(2)3)75-56(97)38(13-9-11-23-68)72-57(98)39(18-20-49(89)90)73-60(101)42(25-35-14-16-36(87)17-15-35)71-48(88)27-70-55(96)44(28-83)77-54(95)37(69)12-8-10-22-67/h14-17,32-34,37-47,52-53,83-87H,7-13,18-31,67-69H2,1-6H3,(H,70,96)(H,71,88)(H,72,98)(H,73,101)(H,74,106)(H,75,97)(H,76,103)(H,77,95)(H,78,99)(H,79,100)(H,80,104)(H,81,102)(H,82,105)(H,89,90)(H,91,92)(H,93,94)(H,107,108)/t34-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,52-,53-/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	7.00E+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 PDZ1-2 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))	BDBM50252824 (CHEMBL494287 | N-Propyl-ETAV) Show SMILES CCCN[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/C20H36N4O8/c1-6-9-21-13(7-8-14(26)27)18(29)24-16(12(5)25)19(30)22-11(4)17(28)23-15(10(2)3)20(31)32/h10-13,15-16,21,25H,6-9H2,1-5H3,(H,22,30)(H,23,28)(H,24,29)(H,26,27)(H,31,32)/t11-,12?,13-,15-,16-/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	7.00E+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 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))	BDBM50252714 (CHEMBL492643 | N-Benzyl-ETAV) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NCc1ccccc1)C(C)O)C(O)=O |r| Show InChI InChI=1S/C24H36N4O8/c1-13(2)19(24(35)36)27-21(32)14(3)26-23(34)20(15(4)29)28-22(33)17(10-11-18(30)31)25-12-16-8-6-5-7-9-16/h5-9,13-15,17,19-20,25,29H,10-12H2,1-4H3,(H,26,34)(H,27,32)(H,28,33)(H,30,31)(H,35,36)/t14-,15?,17-,19-,20-/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	7.20E+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))	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
Disks large homolog 4 (Homo sapiens (Human))	BDBM50339538 ((4S,7S,10S,13S)-1-cyclohexyl-7-((R)-1-hydroxyethyl...) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NCCC1CCCCC1)[C@@H](C)O)C(O)=O |r| Show InChI InChI=1S/C23H42N4O6/c1-13(2)18(23(32)33)26-21(30)15(4)25-22(31)19(16(5)28)27-20(29)14(3)24-12-11-17-9-7-6-8-10-17/h13-19,24,28H,6-12H2,1-5H3,(H,25,31)(H,26,30)(H,27,29)(H,32,33)/t14-,15-,16+,18-,19-/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	8.10E+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 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))	BDBM50339569 ((2S,5S,8S,11S)-11-(2-carboxyethyl)-14-(3,4-dichlor...) Show SMILES CC(C)[C@H](NC(=S)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NCCc1ccc(Cl)c(Cl)c1)[C@@H](C)O)C(O)=O |r| Show InChI InChI=1S/C25H36Cl2N4O7S/c1-12(2)20(25(37)38)31-24(39)13(3)29-23(36)21(14(4)32)30-22(35)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,29,36)(H,30,35)(H,31,39)(H,33,34)(H,37,38)/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	8.30E+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 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))	BDBM50252825 (CHEMBL494485 | N-Butyl-ETAV) Show SMILES CCCCN[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/C21H38N4O8/c1-6-7-10-22-14(8-9-15(27)28)19(30)25-17(13(5)26)20(31)23-12(4)18(29)24-16(11(2)3)21(32)33/h11-14,16-17,22,26H,6-10H2,1-5H3,(H,23,31)(H,24,29)(H,25,30)(H,27,28)(H,32,33)/t12-,13?,14-,16-,17-/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	8.40E+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))	BDBM50339556 ((2S,5S,8S,11S)-11-(2-carboxyethyl)-8-((R)-1-hydrox...) 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)c1F)[C@@H](C)O)C(O)=O |r| Show InChI InChI=1S/C25H35F3N4O8/c1-11(2)20(25(39)40)31-22(36)12(3)30-24(38)21(13(4)33)32-23(37)16(7-8-17(34)35)29-10-9-14-5-6-15(26)19(28)18(14)27/h5-6,11-13,16,20-21,29,33H,7-10H2,1-4H3,(H,30,38)(H,31,36)(H,32,37)(H,34,35)(H,39,40)/t12-,13+,16-,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	8.80E+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 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

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