Compile Data Set for Download or QSAR

Found 13 hits of affinity data for UniProtKB/TrEMBL: P22696   

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
Peptidyl-prolyl cis-trans isomerase ESS1 (Saccharomyces cerevisiae (Baker's yeast))	BDBM53408 ((2S)-2-[[5-(3,4-dihydro-1H-isoquinoline-2-carbonyl...) Show SMILES CC(C)C[C@H](NC(=O)c1[nH]cnc1C(=O)N1CCc2ccccc2C1)C(=O)OCc1ccccc1 Show InChI InChI=1S/C27H30N4O4/c1-18(2)14-22(27(34)35-16-19-8-4-3-5-9-19)30-25(32)23-24(29-17-28-23)26(33)31-13-12-20-10-6-7-11-21(20)15-31/h3-11,17-18,22H,12-16H2,1-2H3,(H,28,29)(H,30,32)/t22-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.50E+3	n/a	n/a	n/a	n/a	7.0	0
Tohoku University					Assay Description Assay was carried out measuring the MCA fluorescence using Suc-Ala-Glu-Pro-Phe-MCA as substrate purchased from Japan Peptide Institute Co.				Chem Biol 10: 15-24 (2003) Article DOI: 10.1016/S1074-5521(02)00310-1 BindingDB Entry DOI: 10.7270/Q24Q7SDN
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase ESS1 (Saccharomyces cerevisiae (Baker's yeast))	BDBM53402 ((3R,3aR,7aR)-2-benzyl-3-(1-bromo-2-naphthyl)-7a-me...) Show SMILES C[C@@]12CCC=C[C@H]1[C@@H](N(Cc1ccccc1)C2=O)c1ccc2ccccc2c1Br |c:4| Show InChI InChI=1S/C26H24BrNO/c1-26-16-8-7-13-22(26)24(28(25(26)29)17-18-9-3-2-4-10-18)21-15-14-19-11-5-6-12-20(19)23(21)27/h2-7,9-15,22,24H,8,16-17H2,1H3/t22-,24-,26+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	7.0	0
Tohoku University					Assay Description Assay was carried out measuring the MCA fluorescence using Suc-Ala-Glu-Pro-Phe-MCA as substrate purchased from Japan Peptide Institute Co.				Chem Biol 10: 15-24 (2003) Article DOI: 10.1016/S1074-5521(02)00310-1 BindingDB Entry DOI: 10.7270/Q24Q7SDN
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase ESS1 (Saccharomyces cerevisiae (Baker's yeast))	BDBM53401 ((3R,3aS,7R,7aS)-2-benzyl-3-(3-chloro-4-methoxy-phe...) Show SMILES CC[C@@H]1CC=C[C@H]2[C@H]1C(=O)N(Cc1ccccc1)[C@H]2c1ccc(OC)c(Cl)c1 |c:4| Show InChI InChI=1S/C24H26ClNO2/c1-3-17-10-7-11-19-22(17)24(27)26(15-16-8-5-4-6-9-16)23(19)18-12-13-21(28-2)20(25)14-18/h4-9,11-14,17,19,22-23H,3,10,15H2,1-2H3/t17-,19+,22+,23+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	7.0	0
Tohoku University					Assay Description Assay was carried out measuring the MCA fluorescence using Suc-Ala-Glu-Pro-Phe-MCA as substrate purchased from Japan Peptide Institute Co.				Chem Biol 10: 15-24 (2003) Article DOI: 10.1016/S1074-5521(02)00310-1 BindingDB Entry DOI: 10.7270/Q24Q7SDN
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase ESS1 (Saccharomyces cerevisiae (Baker's yeast))	BDBM53412 (4-[[5-[[(1S)-1-tert-butoxycarbonyl-5-(tert-butoxyc...) Show SMILES CCOC(=O)c1ccc(NC(=O)c2[nH]cnc2C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1 Show InChI InChI=1S/C29H41N5O8/c1-8-40-25(37)18-12-14-19(15-13-18)33-23(35)21-22(32-17-31-21)24(36)34-20(26(38)41-28(2,3)4)11-9-10-16-30-27(39)42-29(5,6)7/h12-15,17,20H,8-11,16H2,1-7H3,(H,30,39)(H,31,32)(H,33,35)(H,34,36)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	7.0	0
Tohoku University					Assay Description Assay was carried out measuring the MCA fluorescence using Suc-Ala-Glu-Pro-Phe-MCA as substrate purchased from Japan Peptide Institute Co.				Chem Biol 10: 15-24 (2003) Article DOI: 10.1016/S1074-5521(02)00310-1 BindingDB Entry DOI: 10.7270/Q24Q7SDN
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase ESS1 (Saccharomyces cerevisiae (Baker's yeast))	BDBM53404 ((3R,3aR,7aR)-2-benzyl-3-[4-fluoro-3-(4-methylpheny...) Show SMILES Cc1ccc(cc1)-c1cc(ccc1F)[C@H]1[C@@H]2C=CCC[C@@]2(C)C(=O)N1Cc1ccccc1 |c:18| Show InChI InChI=1S/C29H28FNO/c1-20-11-13-22(14-12-20)24-18-23(15-16-26(24)30)27-25-10-6-7-17-29(25,2)28(32)31(27)19-21-8-4-3-5-9-21/h3-6,8-16,18,25,27H,7,17,19H2,1-2H3/t25-,27-,29+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	7.0	0
Tohoku University					Assay Description Assay was carried out measuring the MCA fluorescence using Suc-Ala-Glu-Pro-Phe-MCA as substrate purchased from Japan Peptide Institute Co.				Chem Biol 10: 15-24 (2003) Article DOI: 10.1016/S1074-5521(02)00310-1 BindingDB Entry DOI: 10.7270/Q24Q7SDN
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase ESS1 (Saccharomyces cerevisiae (Baker's yeast))	BDBM53403 ((3R,3aR,7aR)-2-benzyl-3-(5-bromo-2-methoxy-phenyl)...) Show SMILES COc1ccc(Br)cc1[C@H]1[C@@H]2C=CCC[C@@]2(C)C(=O)N1Cc1ccccc1 |c:12| Show InChI InChI=1S/C23H24BrNO2/c1-23-13-7-6-10-19(23)21(18-14-17(24)11-12-20(18)27-2)25(22(23)26)15-16-8-4-3-5-9-16/h3-6,8-12,14,19,21H,7,13,15H2,1-2H3/t19-,21-,23+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	7.0	0
Tohoku University					Assay Description Assay was carried out measuring the MCA fluorescence using Suc-Ala-Glu-Pro-Phe-MCA as substrate purchased from Japan Peptide Institute Co.				Chem Biol 10: 15-24 (2003) Article DOI: 10.1016/S1074-5521(02)00310-1 BindingDB Entry DOI: 10.7270/Q24Q7SDN
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase ESS1 (Saccharomyces cerevisiae (Baker's yeast))	BDBM53405 (4-(4-methoxyphenyl)-5,8-dimethyl-2-phenyl-3,4-dihy...) Show SMILES COc1ccc(cc1)C1CC(O)(Oc2c(C)ccc(C)c12)c1ccccc1 Show InChI InChI=1S/C24H24O3/c1-16-9-10-17(2)23-22(16)21(18-11-13-20(26-3)14-12-18)15-24(25,27-23)19-7-5-4-6-8-19/h4-14,21,25H,15H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	7.0	0
Tohoku University					Assay Description Assay was carried out measuring the MCA fluorescence using Suc-Ala-Glu-Pro-Phe-MCA as substrate purchased from Japan Peptide Institute Co.				Chem Biol 10: 15-24 (2003) Article DOI: 10.1016/S1074-5521(02)00310-1 BindingDB Entry DOI: 10.7270/Q24Q7SDN
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase ESS1 (Saccharomyces cerevisiae (Baker's yeast))	BDBM53410 (4-[[5-[[(1S)-1-benzyl-2-tert-butoxy-2-keto-ethyl]c...) Show SMILES CCOC(=O)c1ccc(NC(=O)c2[nH]cnc2C(=O)N[C@@H](Cc2ccccc2)C(=O)OC(C)(C)C)cc1 Show InChI InChI=1S/C27H30N4O6/c1-5-36-25(34)18-11-13-19(14-12-18)30-23(32)21-22(29-16-28-21)24(33)31-20(26(35)37-27(2,3)4)15-17-9-7-6-8-10-17/h6-14,16,20H,5,15H2,1-4H3,(H,28,29)(H,30,32)(H,31,33)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.0	0
Tohoku University					Assay Description Assay was carried out measuring the MCA fluorescence using Suc-Ala-Glu-Pro-Phe-MCA as substrate purchased from Japan Peptide Institute Co.				Chem Biol 10: 15-24 (2003) Article DOI: 10.1016/S1074-5521(02)00310-1 BindingDB Entry DOI: 10.7270/Q24Q7SDN
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase ESS1 (Saccharomyces cerevisiae (Baker's yeast))	BDBM53409 ((2S)-2-[[4-[[(1S)-2-tert-butoxy-2-keto-1-methyl-et...) Show SMILES CC(C)C[C@H](NC(=O)c1[nH]cnc1C(=O)N[C@@H](C)C(=O)OC(C)(C)C)C(=O)OCc1ccccc1 Show InChI InChI=1S/C25H34N4O6/c1-15(2)12-18(24(33)34-13-17-10-8-7-9-11-17)29-22(31)20-19(26-14-27-20)21(30)28-16(3)23(32)35-25(4,5)6/h7-11,14-16,18H,12-13H2,1-6H3,(H,26,27)(H,28,30)(H,29,31)/t16-,18-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.0	0
Tohoku University					Assay Description Assay was carried out measuring the MCA fluorescence using Suc-Ala-Glu-Pro-Phe-MCA as substrate purchased from Japan Peptide Institute Co.				Chem Biol 10: 15-24 (2003) Article DOI: 10.1016/S1074-5521(02)00310-1 BindingDB Entry DOI: 10.7270/Q24Q7SDN
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase ESS1 (Saccharomyces cerevisiae (Baker's yeast))	BDBM53407 (2-(2-methoxyphenyl)-8-nitro-5-oxidanyl-chromen-4-o...) Show SMILES COc1ccccc1-c1cc(=O)c2c(O)ccc([N+]([O-])=O)c2o1 Show InChI InChI=1S/C16H11NO6/c1-22-13-5-3-2-4-9(13)14-8-12(19)15-11(18)7-6-10(17(20)21)16(15)23-14/h2-8,18H,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.0	0
Tohoku University					Assay Description Assay was carried out measuring the MCA fluorescence using Suc-Ala-Glu-Pro-Phe-MCA as substrate purchased from Japan Peptide Institute Co.				Chem Biol 10: 15-24 (2003) Article DOI: 10.1016/S1074-5521(02)00310-1 BindingDB Entry DOI: 10.7270/Q24Q7SDN
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase ESS1 (Saccharomyces cerevisiae (Baker's yeast))	BDBM53406 ((6Z)-1-benzoyl-4-(4-fluorobenzyl)-5-(4-methoxyphen...) Show SMILES COc1ccc(cc1)C1\C=C/CN(CC(=O)N1Cc1ccc(F)cc1)C(=O)c1ccccc1 |c:10| Show InChI InChI=1S/C27H25FN2O3/c1-33-24-15-11-21(12-16-24)25-8-5-17-29(27(32)22-6-3-2-4-7-22)19-26(31)30(25)18-20-9-13-23(28)14-10-20/h2-16,25H,17-19H2,1H3/b8-5-	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.0	0
Tohoku University					Assay Description Assay was carried out measuring the MCA fluorescence using Suc-Ala-Glu-Pro-Phe-MCA as substrate purchased from Japan Peptide Institute Co.				Chem Biol 10: 15-24 (2003) Article DOI: 10.1016/S1074-5521(02)00310-1 BindingDB Entry DOI: 10.7270/Q24Q7SDN
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase ESS1 (Saccharomyces cerevisiae (Baker's yeast))	BDBM53411 ((2S)-2-[[[4-[(3-methylanilino)-oxomethyl]-1H-imida...) Show SMILES Cc1cccc(NC(=O)c2[nH]cnc2C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1 Show InChI InChI=1S/C27H39N5O6/c1-17-11-10-12-18(15-17)31-22(33)20-21(30-16-29-20)23(34)32-19(24(35)37-26(2,3)4)13-8-9-14-28-25(36)38-27(5,6)7/h10-12,15-16,19H,8-9,13-14H2,1-7H3,(H,28,36)(H,29,30)(H,31,33)(H,32,34)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.0	0
Tohoku University					Assay Description Assay was carried out measuring the MCA fluorescence using Suc-Ala-Glu-Pro-Phe-MCA as substrate purchased from Japan Peptide Institute Co.				Chem Biol 10: 15-24 (2003) Article DOI: 10.1016/S1074-5521(02)00310-1 BindingDB Entry DOI: 10.7270/Q24Q7SDN
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase ESS1 (Saccharomyces cerevisiae (Baker's yeast))	BDBM16415 ((1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic...) Show SMILES OC(=O)CN1C(=O)c2cccc3cccc(C1=O)c23 Show InChI InChI=1S/C14H9NO4/c16-11(17)7-15-13(18)9-5-1-3-8-4-2-6-10(12(8)9)14(15)19/h1-6H,7H2,(H,16,17)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.0	0
Tohoku University					Assay Description Assay was carried out measuring the MCA fluorescence using Suc-Ala-Glu-Pro-Phe-MCA as substrate purchased from Japan Peptide Institute Co.				Chem Biol 10: 15-24 (2003) Article DOI: 10.1016/S1074-5521(02)00310-1 BindingDB Entry DOI: 10.7270/Q24Q7SDN
					More data for this Ligand-Target Pair