Compile Data Set for Download or QSAR

Found 94 hits Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase D'   

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 D (Homo sapiens (Human))	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Binding affinity to human recombinant cyclophilin D by surface plasmon resonance analysis				ACS Med Chem Lett 7: 294-9 (2016) Article DOI: 10.1021/acsmedchemlett.5b00451 BindingDB Entry DOI: 10.7270/Q24T6M8F
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of fluorescein labeled cyclosporin binding to Cyp40 by flourescence polarization competition assay				ACS Med Chem Lett 1: 536-539 (2010) Article DOI: 10.1021/ml1001272 BindingDB Entry DOI: 10.7270/Q26110M8
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	8.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Liverpool Curated by ChEMBL					Assay Description Inhibition of Cyclophilin D (unknown origin) activity in absence of detergent				J Med Chem 59: 2596-611 (2016) Article DOI: 10.1021/acs.jmedchem.5b01801 BindingDB Entry DOI: 10.7270/Q2474CR6
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50339005 (5-(4-((4R,5R,E)-5-((2S,5S,11S,14S,17S,20S,23R,26S,...) Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\c2ccc(CNC(=O)c3ccc(c(c3)C(O)=O)-c3c4ccc(O)cc4oc4cc(=O)ccc34)cc2)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r,wU:6.53,9.9,98.121,102.107,70.75,84.89,wD:2.1,89.94,53.58,61.66,7.7,79.84,(18.81,-10.51,;17.47,-11.27,;16.14,-10.5,;14.2,-13.26,;15.53,-14.02,;16.86,-13.24,;15.54,-15.56,;14.21,-16.34,;14.22,-17.88,;12.87,-15.58,;12.87,-14.04,;11.54,-16.35,;10.21,-15.59,;8.88,-16.37,;7.54,-15.6,;7.53,-14.06,;6.2,-13.3,;4.86,-14.08,;3.53,-13.31,;2.2,-14.09,;.86,-13.33,;.85,-11.79,;-.47,-14.11,;-.45,-15.64,;-1.78,-16.42,;-3.12,-15.66,;-3.13,-14.12,;-1.8,-13.34,;-3.91,-12.79,;-5.45,-12.8,;-3.15,-11.45,;-4.45,-16.45,;-4.43,-17.98,;-3.1,-18.74,;-3.09,-20.28,;-4.42,-21.06,;-4.42,-22.6,;-5.76,-20.29,;-5.76,-18.76,;-7.1,-18,;-7.11,-16.46,;-8.44,-15.71,;-8.45,-14.18,;-9.8,-13.42,;-7.14,-13.4,;-5.81,-14.15,;-5.79,-15.68,;4.88,-15.62,;6.21,-16.38,;16.88,-16.32,;17.99,-14.4,;17.28,-17.81,;16.19,-18.9,;18.77,-18.21,;19.53,-16.87,;18.75,-15.54,;21.07,-16.86,;18.76,-19.75,;17.42,-20.51,;20.09,-20.53,;20.08,-22.07,;21.43,-19.76,;21.44,-18.22,;22.52,-17.12,;24.06,-17.12,;21.92,-15.7,;22.76,-20.54,;22.75,-22.08,;24.09,-19.78,;24.1,-18.24,;25.42,-20.55,;25.42,-22.09,;24.63,-23.42,;23.09,-23.4,;25.39,-24.76,;26.76,-19.79,;26.77,-18.25,;28.09,-20.57,;28.08,-22.11,;29.43,-19.8,;30.76,-20.58,;29.44,-18.26,;30.77,-17.5,;32.1,-18.28,;30.78,-15.96,;32.12,-15.2,;29.45,-15.18,;29.46,-13.64,;30.8,-12.88,;28.13,-12.87,;26.79,-13.63,;26.79,-15.17,;25.45,-15.93,;28.12,-15.95,;28.14,-11.33,;29.48,-10.56,;26.81,-10.55,;25.47,-11.31,;26.82,-9.01,;25.49,-8.23,;24.15,-9,;24.14,-10.54,;22.82,-8.22,;22.83,-6.68,;24.16,-5.92,;24.17,-4.38,;25.49,-6.69,;21.48,-8.98,;21.47,-10.52,;20.15,-8.21,;20.16,-6.67,;18.81,-8.97,;17.48,-8.19,;17.49,-6.65,;16.15,-8.96,;14.82,-8.18,;28.15,-8.25,;28.16,-6.71,;29.48,-9.02,)| Show InChI InChI=1S/C89H126N12O18/c1-24-65-84(112)95(17)46-72(104)96(18)66(38-47(2)3)81(109)94-74(51(10)11)87(115)97(19)67(39-48(4)5)80(108)91-54(15)78(106)92-55(16)83(111)98(20)68(40-49(6)7)85(113)99(21)69(41-50(8)9)86(114)100(22)75(52(12)13)88(116)101(23)76(82(110)93-65)77(105)53(14)26-25-27-56-28-30-57(31-29-56)45-90-79(107)58-32-35-61(64(42-58)89(117)118)73-62-36-33-59(102)43-70(62)119-71-44-60(103)34-37-63(71)73/h25,27-37,42-44,47-55,65-69,74-77,102,105H,24,26,38-41,45-46H2,1-23H3,(H,90,107)(H,91,108)(H,92,106)(H,93,110)(H,94,109)(H,117,118)/b27-25+/t53-,54+,55-,65+,66+,67+,68+,69+,74+,75+,76+,77-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Cyclophilin 40 PPIase activity				ACS Med Chem Lett 1: 536-539 (2010) Article DOI: 10.1021/ml1001272 BindingDB Entry DOI: 10.7270/Q26110M8
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Cyclophilin 40 PPIase activity				ACS Med Chem Lett 1: 536-539 (2010) Article DOI: 10.1021/ml1001272 BindingDB Entry DOI: 10.7270/Q26110M8
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50164666 (CHEMBL3799661) Show SMILES CSCC[C@H](NC(=O)NCc1ccc(N)cc1)C(=O)N1CCC[C@H]1c1ccccc1SC |r| Show InChI InChI=1S/C24H32N4O2S2/c1-31-15-13-20(27-24(30)26-16-17-9-11-18(25)12-10-17)23(29)28-14-5-7-21(28)19-6-3-4-8-22(19)32-2/h3-4,6,8-12,20-21H,5,7,13-16,25H2,1-2H3,(H2,26,27,30)/t20-,21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	99	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Liverpool Curated by ChEMBL					Assay Description Inhibition of Cyclophilin D (unknown origin) activity preincubated for 15 mins followed Suc-AAPF-pNA substrate addition by chymotrypsin coupled based...				J Med Chem 59: 2596-611 (2016) Article DOI: 10.1021/acs.jmedchem.5b01801 BindingDB Entry DOI: 10.7270/Q2474CR6
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50164670 (CHEMBL3799597) Show SMILES Nc1ccc(CNC(=O)NCC(=O)N2CCC[C@@H]2c2ccccc2Br)cc1 |r| Show InChI InChI=1S/C20H23BrN4O2/c21-17-5-2-1-4-16(17)18-6-3-11-25(18)19(26)13-24-20(27)23-12-14-7-9-15(22)10-8-14/h1-2,4-5,7-10,18H,3,6,11-13,22H2,(H2,23,24,27)/t18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Liverpool Curated by ChEMBL					Assay Description Inhibition of Cyclophilin D (unknown origin) activity preincubated for 15 mins followed Suc-AAPF-pNA substrate addition by chymotrypsin coupled based...				J Med Chem 59: 2596-611 (2016) Article DOI: 10.1021/acs.jmedchem.5b01801 BindingDB Entry DOI: 10.7270/Q2474CR6
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50169545 (CHEMBL3805631) Show SMILES CC(C)COc1ccc(cc1C#N)-c1nc(C)c(s1)C(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C25H28N8O3/c26-25-27-20(16-22-28-24(29-33(22)25)21-5-2-12-36-21)18-3-1-4-19(15-18)31-6-8-32(9-7-31)23(34)17-30-10-13-35-14-11-30/h1-5,12,15-16H,6-11,13-14,17H2,(H2,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.33E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Binding affinity to human recombinant cyclophilin D by surface plasmon resonance analysis				ACS Med Chem Lett 7: 294-9 (2016) Article DOI: 10.1021/acsmedchemlett.5b00451 BindingDB Entry DOI: 10.7270/Q24T6M8F
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50495808 (CHEMBL1557710) Show SMILES O=C(Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1)N1CCCC1 Show InChI InChI=1S/C21H18N4O3/c26-21(25-9-1-2-10-25)22-14-7-8-15-16(13-14)24-20(18-6-4-12-28-18)19(23-15)17-5-3-11-27-17/h3-8,11-13H,1-2,9-10H2,(H,22,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM92912 (Aryl 1-indanylketone, 1) Show SMILES Oc1c(cc(cc1N(=O)=O)-c1cc(F)cc(c1O)N(=O)=O)C(=O)C1CCc2ccccc12 Show InChI InChI=1S/C22H15FN2O7/c23-13-9-16(21(27)19(10-13)25(31)32)12-7-17(22(28)18(8-12)24(29)30)20(26)15-6-5-11-3-1-2-4-14(11)15/h1-4,7-10,15,27-28H,5-6H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	2.42E+3	-29.9	n/a	n/a	n/a	n/a	n/a	7.8	5
Max Planck Research					Assay Description PPIase activity assay were performed at 283 K in quartz cuvettes with a path length of 1 cm under vigorous stirring with a Hewlett-Packard 8453A UV-v...				Biochemistry 48: 6268-77 (2009) Article DOI: 10.1021/bi9007287 BindingDB Entry DOI: 10.7270/Q2X34W26
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50164674 (CHEMBL3799875) Show SMILES CCOC(=O)CNC(=O)NCc1ccc(NC(C)=O)cc1 Show InChI InChI=1S/C14H19N3O4/c1-3-21-13(19)9-16-14(20)15-8-11-4-6-12(7-5-11)17-10(2)18/h4-7H,3,8-9H2,1-2H3,(H,17,18)(H2,15,16,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Liverpool Curated by ChEMBL					Assay Description Inhibition of Cyclophilin D (unknown origin) activity preincubated for 15 mins followed Suc-AAPF-pNA substrate addition by chymotrypsin coupled based...				J Med Chem 59: 2596-611 (2016) Article DOI: 10.1021/acs.jmedchem.5b01801 BindingDB Entry DOI: 10.7270/Q2474CR6
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	CHEMBL2006156 Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL UniChem		3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	CHEMBL5275318 Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL UniChem		3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50164673 (CHEMBL3797905) Show SMILES Nc1ccc(CNC(=O)NCC(=O)N2CCCC2)cc1 Show InChI InChI=1S/C14H20N4O2/c15-12-5-3-11(4-6-12)9-16-14(20)17-10-13(19)18-7-1-2-8-18/h3-6H,1-2,7-10,15H2,(H2,16,17,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Liverpool Curated by ChEMBL					Assay Description Inhibition of Cyclophilin D (unknown origin) activity preincubated for 15 mins followed Suc-AAPF-pNA substrate addition by chymotrypsin coupled based...				J Med Chem 59: 2596-611 (2016) Article DOI: 10.1021/acs.jmedchem.5b01801 BindingDB Entry DOI: 10.7270/Q2474CR6
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM139995 (US8901295, F428) Show SMILES CCOC(=O)CNC(=O)NCc1ccc(N)cc1 Show InChI InChI=1S/C12H17N3O3/c1-2-18-11(16)8-15-12(17)14-7-9-3-5-10(13)6-4-9/h3-6H,2,7-8,13H2,1H3,(H2,14,15,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Liverpool Curated by ChEMBL					Assay Description Inhibition of Cyclophilin D (unknown origin) activity in absence of detergent				J Med Chem 59: 2596-611 (2016) Article DOI: 10.1021/acs.jmedchem.5b01801 BindingDB Entry DOI: 10.7270/Q2474CR6
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM139995 (US8901295, F428) Show SMILES CCOC(=O)CNC(=O)NCc1ccc(N)cc1 Show InChI InChI=1S/C12H17N3O3/c1-2-18-11(16)8-15-12(17)14-7-9-3-5-10(13)6-4-9/h3-6H,2,7-8,13H2,1H3,(H2,14,15,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Liverpool Curated by ChEMBL					Assay Description Inhibition of Cyclophilin D (unknown origin) activity preincubated for 15 mins followed Suc-AAPF-pNA substrate addition by chymotrypsin coupled based...				J Med Chem 59: 2596-611 (2016) Article DOI: 10.1021/acs.jmedchem.5b01801 BindingDB Entry DOI: 10.7270/Q2474CR6
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM92913 (Aryl 1-indanylketone, 2) Show SMILES Nc1cc(F)cc(-c2ccc(O)c(c2)C(=O)C2CCc3ccccc23)c1O Show InChI InChI=1S/C22H18FNO3/c23-14-10-17(22(27)19(24)11-14)13-6-8-20(25)18(9-13)21(26)16-7-5-12-3-1-2-4-15(12)16/h1-4,6,8-11,16,25,27H,5,7,24H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.28E+3	-27.7	n/a	n/a	n/a	n/a	n/a	7.8	5
Max Planck Research					Assay Description PPIase activity assay were performed at 283 K in quartz cuvettes with a path length of 1 cm under vigorous stirring with a Hewlett-Packard 8453A UV-v...				Biochemistry 48: 6268-77 (2009) Article DOI: 10.1021/bi9007287 BindingDB Entry DOI: 10.7270/Q2X34W26
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50164669 (CHEMBL3798305) Show SMILES CCOC(=O)[C@H](CCSC)NC(=O)NCc1ccc(N)cc1 |r| Show InChI InChI=1S/C15H23N3O3S/c1-3-21-14(19)13(8-9-22-2)18-15(20)17-10-11-4-6-12(16)7-5-11/h4-7,13H,3,8-10,16H2,1-2H3,(H2,17,18,20)/t13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Liverpool Curated by ChEMBL					Assay Description Inhibition of Cyclophilin D (unknown origin) activity preincubated for 15 mins followed Suc-AAPF-pNA substrate addition by chymotrypsin coupled based...				J Med Chem 59: 2596-611 (2016) Article DOI: 10.1021/acs.jmedchem.5b01801 BindingDB Entry DOI: 10.7270/Q2474CR6
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50164671 (CHEMBL3798030) Show SMILES CCOC(=O)CNC(=O)NCc1cccc(c1)-c1ccncc1N Show InChI InChI=1S/C17H20N4O3/c1-2-24-16(22)11-21-17(23)20-9-12-4-3-5-13(8-12)14-6-7-19-10-15(14)18/h3-8,10H,2,9,11,18H2,1H3,(H2,20,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB 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 Liverpool Curated by ChEMBL					Assay Description Inhibition of Cyclophilin D (unknown origin) activity preincubated for 15 mins followed Suc-AAPF-pNA substrate addition by chymotrypsin coupled based...				J Med Chem 59: 2596-611 (2016) Article DOI: 10.1021/acs.jmedchem.5b01801 BindingDB Entry DOI: 10.7270/Q2474CR6
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50164665 (CHEMBL3797675) Show SMILES CCOC(=O)CNC(=O)NCc1ccccc1 Show InChI InChI=1S/C12H16N2O3/c1-2-17-11(15)9-14-12(16)13-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H2,13,14,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	6.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Liverpool Curated by ChEMBL					Assay Description Inhibition of Cyclophilin D (unknown origin) activity preincubated for 15 mins followed Suc-AAPF-pNA substrate addition by chymotrypsin coupled based...				J Med Chem 59: 2596-611 (2016) Article DOI: 10.1021/acs.jmedchem.5b01801 BindingDB Entry DOI: 10.7270/Q2474CR6
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibition of human recombinant cyclophilin D using Suc-AAPF-MCA as substrate preincubated for 1 hr followed by substrate addition measured per milli...				ACS Med Chem Lett 7: 294-9 (2016) Article DOI: 10.1021/acsmedchemlett.5b00451 BindingDB Entry DOI: 10.7270/Q24T6M8F
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50516083 (CHEMBL4470490) Show SMILES [H][C@@]12C[C@@]([H])(OC[C@H]1O)c1cc(CNC(=O)NCC(=O)N3CCC[C@@H]3c3ccccc3SC)ccc1N2 |r| Show InChI InChI=1S/C26H32N4O4S/c1-35-24-7-3-2-5-17(24)21-6-4-10-30(21)25(32)14-28-26(33)27-13-16-8-9-19-18(11-16)23-12-20(29-19)22(31)15-34-23/h2-3,5,7-9,11,20-23,29,31H,4,6,10,12-15H2,1H3,(H2,27,28,33)/t20-,21-,22-,23-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare Curated by ChEMBL					Assay Description Inhibition of CypD (unknown origin) PPIase activity using N-Suc-AAPF-p-nitroanilide as substrate preincubated with enzyme for 10 mins followed by chy...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126717 BindingDB Entry DOI: 10.7270/Q2JM2DZ2
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50516083 (CHEMBL4470490) Show SMILES [H][C@@]12C[C@@]([H])(OC[C@H]1O)c1cc(CNC(=O)NCC(=O)N3CCC[C@@H]3c3ccccc3SC)ccc1N2 |r| Show InChI InChI=1S/C26H32N4O4S/c1-35-24-7-3-2-5-17(24)21-6-4-10-30(21)25(32)14-28-26(33)27-13-16-8-9-19-18(11-16)23-12-20(29-19)22(31)15-34-23/h2-3,5,7-9,11,20-23,29,31H,4,6,10,12-15H2,1H3,(H2,27,28,33)/t20-,21-,22-,23-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare Curated by ChEMBL					Assay Description Displacement of fluorescein labelled cyclosporine A derivative from human recombinant CypD (30 to 207 residues) expressed in Escherichia coli cells i...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126717 BindingDB Entry DOI: 10.7270/Q2JM2DZ2
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50516100 (CHEMBL4466871) Show SMILES CCN1Cc2cc(CNC(=O)NCC(=O)N3CCC[C@@H]3c3ccccc3SC)ccc2NCCC1=O |r| Show InChI InChI=1S/C27H35N5O3S/c1-3-31-18-20-15-19(10-11-22(20)28-13-12-25(31)33)16-29-27(35)30-17-26(34)32-14-6-8-23(32)21-7-4-5-9-24(21)36-2/h4-5,7,9-11,15,23,28H,3,6,8,12-14,16-18H2,1-2H3,(H2,29,30,35)/t23-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare Curated by ChEMBL					Assay Description Displacement of fluorescein labelled cyclosporine A derivative from human recombinant CypD (30 to 207 residues) expressed in Escherichia coli cells i...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126717 BindingDB Entry DOI: 10.7270/Q2JM2DZ2
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50516080 (CHEMBL4464178) Show SMILES O=C(CN1C(=O)C2C3CCC(C3)C2C1=O)NCc1ccc2NCCCc2c1 Show InChI InChI=1S/C21H25N3O3/c25-17(23-10-12-3-6-16-13(8-12)2-1-7-22-16)11-24-20(26)18-14-4-5-15(9-14)19(18)21(24)27/h3,6,8,14-15,18-19,22H,1-2,4-5,7,9-11H2,(H,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare Curated by ChEMBL					Assay Description Inhibition of CypD (unknown origin) PPIase activity using N-Suc-AAPF-p-nitroanilide as substrate preincubated with enzyme for 10 mins followed by chy...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126717 BindingDB Entry DOI: 10.7270/Q2JM2DZ2
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM140005 (US8901295, F684) Show SMILES CSc1ccccc1C1CCCN1C(=O)CNC(=O)NCc1ccc(N)cc1 Show InChI InChI=1S/C21H26N4O2S/c1-28-19-7-3-2-5-17(19)18-6-4-12-25(18)20(26)14-24-21(27)23-13-15-8-10-16(22)11-9-15/h2-3,5,7-11,18H,4,6,12-14,22H2,1H3,(H2,23,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	640	n/a	n/a	n/a	n/a	7.8	20
Institut National de la Sante et de la Recherche Medicale (INSERM); Universite Montpellier 1; Universite Paris-EST Creteil val de Marne; Assistance Publique-Hopitaux de Paris; Centre National de la Recherche Scientifique US Patent					Assay Description Cyclophilin PPlase activity was measured at 20 C. by using the standard chymotrypsin coupled assay (Kofron J L, Kuzmic P, Kishore V, Colon-Bonilla E,...				US Patent US8901295 (2014) BindingDB Entry DOI: 10.7270/Q2R49PGS
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM140008 (US8901295, F716) Show SMILES CSCCC(NC(=O)NCc1ccc(N)cc1)C(=O)N1CCCC1c1ccccc1SC Show InChI InChI=1S/C24H32N4O2S2/c1-31-15-13-20(27-24(30)26-16-17-9-11-18(25)12-10-17)23(29)28-14-5-7-21(28)19-6-3-4-8-22(19)32-2/h3-4,6,8-12,20-21H,5,7,13-16,25H2,1-2H3,(H2,26,27,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	660	n/a	n/a	n/a	n/a	7.8	20
Institut National de la Sante et de la Recherche Medicale (INSERM); Universite Montpellier 1; Universite Paris-EST Creteil val de Marne; Assistance Publique-Hopitaux de Paris; Centre National de la Recherche Scientifique US Patent					Assay Description Cyclophilin PPlase activity was measured at 20 C. by using the standard chymotrypsin coupled assay (Kofron J L, Kuzmic P, Kishore V, Colon-Bonilla E,...				US Patent US8901295 (2014) BindingDB Entry DOI: 10.7270/Q2R49PGS
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50516098 (CHEMBL4547673) Show SMILES [H][C@]12CC[C@]([H])(C1)[C@]1([H])C(=O)N(CC(=O)NCc3ccc4N[C@]5([H])C[C@@]([H])(OC[C@H]5O)c4c3)C(=O)[C@]21[H] |r| Show InChI InChI=1S/C23H27N3O5/c27-17-10-31-18-7-16(17)25-15-4-1-11(5-14(15)18)8-24-19(28)9-26-22(29)20-12-2-3-13(6-12)21(20)23(26)30/h1,4-5,12-13,16-18,20-21,25,27H,2-3,6-10H2,(H,24,28)/t12-,13+,16-,17-,18-,20+,21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	735	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare Curated by ChEMBL					Assay Description Displacement of fluorescein labelled cyclosporine A derivative from human recombinant CypD (30 to 207 residues) expressed in Escherichia coli cells i...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126717 BindingDB Entry DOI: 10.7270/Q2JM2DZ2
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM140007 (US8901295, F714) Show SMILES CSc1ccccc1C1CCCN1C(=O)C(C)NC(=O)NCc1ccc(N)cc1 Show InChI InChI=1S/C22H28N4O2S/c1-15(25-22(28)24-14-16-9-11-17(23)12-10-16)21(27)26-13-5-7-19(26)18-6-3-4-8-20(18)29-2/h3-4,6,8-12,15,19H,5,7,13-14,23H2,1-2H3,(H2,24,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	7.8	20
Institut National de la Sante et de la Recherche Medicale (INSERM); Universite Montpellier 1; Universite Paris-EST Creteil val de Marne; Assistance Publique-Hopitaux de Paris; Centre National de la Recherche Scientifique US Patent					Assay Description Cyclophilin PPlase activity was measured at 20 C. by using the standard chymotrypsin coupled assay (Kofron J L, Kuzmic P, Kishore V, Colon-Bonilla E,...				US Patent US8901295 (2014) BindingDB Entry DOI: 10.7270/Q2R49PGS
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM140004 (US8901295, F680) Show SMILES Nc1ccc(CNC(=O)NCC(=O)N2CCCC2c2ccccc2Br)cc1 Show InChI InChI=1S/C20H23BrN4O2/c21-17-5-2-1-4-16(17)18-6-3-11-25(18)19(26)13-24-20(27)23-12-14-7-9-15(22)10-8-14/h1-2,4-5,7-10,18H,3,6,11-13,22H2,(H2,23,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	7.8	20
Institut National de la Sante et de la Recherche Medicale (INSERM); Universite Montpellier 1; Universite Paris-EST Creteil val de Marne; Assistance Publique-Hopitaux de Paris; Centre National de la Recherche Scientifique US Patent					Assay Description Cyclophilin PPlase activity was measured at 20 C. by using the standard chymotrypsin coupled assay (Kofron J L, Kuzmic P, Kishore V, Colon-Bonilla E,...				US Patent US8901295 (2014) BindingDB Entry DOI: 10.7270/Q2R49PGS
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50516080 (CHEMBL4464178) Show SMILES O=C(CN1C(=O)C2C3CCC(C3)C2C1=O)NCc1ccc2NCCCc2c1 Show InChI InChI=1S/C21H25N3O3/c25-17(23-10-12-3-6-16-13(8-12)2-1-7-22-16)11-24-20(26)18-14-4-5-15(9-14)19(18)21(24)27/h3,6,8,14-15,18-19,22H,1-2,4-5,7,9-11H2,(H,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare Curated by ChEMBL					Assay Description Displacement of fluorescein labelled cyclosporine A derivative from human recombinant CypD (30 to 207 residues) expressed in Escherichia coli cells i...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126717 BindingDB Entry DOI: 10.7270/Q2JM2DZ2
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM140002 (US8901295, F671) Show SMILES Nc1ccc(CNC(=O)NCC(=O)N2CCCC2c2cccc3ccccc23)cc1 Show InChI InChI=1S/C24H26N4O2/c25-19-12-10-17(11-13-19)15-26-24(30)27-16-23(29)28-14-4-9-22(28)21-8-3-6-18-5-1-2-7-20(18)21/h1-3,5-8,10-13,22H,4,9,14-16,25H2,(H2,26,27,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	7.8	20
Institut National de la Sante et de la Recherche Medicale (INSERM); Universite Montpellier 1; Universite Paris-EST Creteil val de Marne; Assistance Publique-Hopitaux de Paris; Centre National de la Recherche Scientifique US Patent					Assay Description Cyclophilin PPlase activity was measured at 20 C. by using the standard chymotrypsin coupled assay (Kofron J L, Kuzmic P, Kishore V, Colon-Bonilla E,...				US Patent US8901295 (2014) BindingDB Entry DOI: 10.7270/Q2R49PGS
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50169545 (CHEMBL3805631) Show SMILES CC(C)COc1ccc(cc1C#N)-c1nc(C)c(s1)C(=O)Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C25H28N8O3/c26-25-27-20(16-22-28-24(29-33(22)25)21-5-2-12-36-21)18-3-1-4-19(15-18)31-6-8-32(9-7-31)23(34)17-30-10-13-35-14-11-30/h1-5,12,15-16H,6-11,13-14,17H2,(H2,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.49E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Inhibition of human recombinant cyclophilin D using Suc-AAPF-MCA as substrate preincubated for 1 hr followed by substrate addition measured per milli...				ACS Med Chem Lett 7: 294-9 (2016) Article DOI: 10.1021/acsmedchemlett.5b00451 BindingDB Entry DOI: 10.7270/Q24T6M8F
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50516082 (CHEMBL4464825) Show SMILES [H][C@@]12C[C@@]([H])(OC[C@H]1O)c1cc(CCNC(=O)C(=O)NC3CCCC3)ccc1N2 |r| Show InChI InChI=1S/C20H27N3O4/c24-17-11-27-18-10-16(17)23-15-6-5-12(9-14(15)18)7-8-21-19(25)20(26)22-13-3-1-2-4-13/h5-6,9,13,16-18,23-24H,1-4,7-8,10-11H2,(H,21,25)(H,22,26)/t16-,17-,18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare Curated by ChEMBL					Assay Description Inhibition of CypD (unknown origin) PPIase activity using N-Suc-AAPF-p-nitroanilide as substrate preincubated with enzyme for 10 mins followed by chy...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126717 BindingDB Entry DOI: 10.7270/Q2JM2DZ2
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50516095 (CHEMBL4451136) Show SMILES [H][C@]12C[C@]([H])(OC[C@H]1O)c1cc(CNC(=O)NCC(=O)N3CCC[C@@H]3c3ccccc3SC)ccc1N2 |r| Show InChI InChI=1S/C26H32N4O4S/c1-35-24-7-3-2-5-17(24)21-6-4-10-30(21)25(32)14-28-26(33)27-13-16-8-9-19-18(11-16)23-12-20(29-19)22(31)15-34-23/h2-3,5,7-9,11,20-23,29,31H,4,6,10,12-15H2,1H3,(H2,27,28,33)/t20-,21+,22+,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare Curated by ChEMBL					Assay Description Displacement of fluorescein labelled cyclosporine A derivative from human recombinant CypD (30 to 207 residues) expressed in Escherichia coli cells i...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126717 BindingDB Entry DOI: 10.7270/Q2JM2DZ2
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50516084 (CHEMBL4520315) Show SMILES [H][C@]12CC[C@]([H])(C1)[C@@]1([H])C(=O)N(CC(=O)NCc3ccc4N[C@]5([H])C[C@@]([H])(OC[C@H]5O)c4c3)C(=O)[C@@]21[H] |r| Show InChI InChI=1S/C23H27N3O5/c27-17-10-31-18-7-16(17)25-15-4-1-11(5-14(15)18)8-24-19(28)9-26-22(29)20-12-2-3-13(6-12)21(20)23(26)30/h1,4-5,12-13,16-18,20-21,25,27H,2-3,6-10H2,(H,24,28)/t12-,13+,16-,17-,18-,20-,21+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare Curated by ChEMBL					Assay Description Displacement of fluorescein labelled cyclosporine A derivative from human recombinant CypD (30 to 207 residues) expressed in Escherichia coli cells i...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126717 BindingDB Entry DOI: 10.7270/Q2JM2DZ2
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50516082 (CHEMBL4464825) Show SMILES [H][C@@]12C[C@@]([H])(OC[C@H]1O)c1cc(CCNC(=O)C(=O)NC3CCCC3)ccc1N2 |r| Show InChI InChI=1S/C20H27N3O4/c24-17-11-27-18-10-16(17)23-15-6-5-12(9-14(15)18)7-8-21-19(25)20(26)22-13-3-1-2-4-13/h5-6,9,13,16-18,23-24H,1-4,7-8,10-11H2,(H,21,25)(H,22,26)/t16-,17-,18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare Curated by ChEMBL					Assay Description Displacement of fluorescein labelled cyclosporine A derivative from human recombinant CypD (30 to 207 residues) expressed in Escherichia coli cells i...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126717 BindingDB Entry DOI: 10.7270/Q2JM2DZ2
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50381013 (CHEMBL2017129) Show SMILES Oc1c(cc(cc1[N+]([O-])=O)-c1cc(F)cc(c1O)[N+]([O-])=O)C(=O)C1CCc2ccccc12 Show InChI InChI=1S/C22H15FN2O7/c23-13-9-16(21(27)19(10-13)25(31)32)12-7-17(22(28)18(8-12)24(29)30)20(26)15-6-5-11-3-1-2-4-14(11)15/h1-4,7-10,15,27-28H,5-6H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	2.42E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50516087 (CHEMBL4471175) Show SMILES Nc1ccc(CNC(=O)CN2C(=O)C3C4CCC(C4)C3C2=O)cc1 |TLB:11:13:15.16:18,THB:20:19:15.16:18| Show InChI InChI=1S/C18H21N3O3/c19-13-5-1-10(2-6-13)8-20-14(22)9-21-17(23)15-11-3-4-12(7-11)16(15)18(21)24/h1-2,5-6,11-12,15-16H,3-4,7-9,19H2,(H,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare Curated by ChEMBL					Assay Description Displacement of fluorescein labelled cyclosporine A derivative from human recombinant CypD (30 to 207 residues) expressed in Escherichia coli cells i...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126717 BindingDB Entry DOI: 10.7270/Q2JM2DZ2
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM140006 (US8901295, F712) Show SMILES CSc1ccccc1C1CCCN1C(=O)C(CC(C)C)NC(=O)NCc1ccc(N)cc1 Show InChI InChI=1S/C25H34N4O2S/c1-17(2)15-21(28-25(31)27-16-18-10-12-19(26)13-11-18)24(30)29-14-6-8-22(29)20-7-4-5-9-23(20)32-3/h4-5,7,9-13,17,21-22H,6,8,14-16,26H2,1-3H3,(H2,27,28,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	7.8	20
Institut National de la Sante et de la Recherche Medicale (INSERM); Universite Montpellier 1; Universite Paris-EST Creteil val de Marne; Assistance Publique-Hopitaux de Paris; Centre National de la Recherche Scientifique US Patent					Assay Description Cyclophilin PPlase activity was measured at 20 C. by using the standard chymotrypsin coupled assay (Kofron J L, Kuzmic P, Kishore V, Colon-Bonilla E,...				US Patent US8901295 (2014) BindingDB Entry DOI: 10.7270/Q2R49PGS
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50516096 (CHEMBL4540033) Show SMILES CSc1ccccc1[C@H]1CCCN1C(=O)CNC(=O)NCc1ccc2NCCCc2c1 |r| Show InChI InChI=1S/C24H30N4O2S/c1-31-22-9-3-2-7-19(22)21-8-5-13-28(21)23(29)16-27-24(30)26-15-17-10-11-20-18(14-17)6-4-12-25-20/h2-3,7,9-11,14,21,25H,4-6,8,12-13,15-16H2,1H3,(H2,26,27,30)/t21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare Curated by ChEMBL					Assay Description Displacement of fluorescein labelled cyclosporine A derivative from human recombinant CypD (30 to 207 residues) expressed in Escherichia coli cells i...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126717 BindingDB Entry DOI: 10.7270/Q2JM2DZ2
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50516094 (CHEMBL4453162) Show SMILES [H][C@@]12C[C@@]([H])(OC[C@H]1O)c1cc(CNC(=O)NCC(=O)N3CCC[C@H]3c3ccccc3SC)ccc1N2 |r| Show InChI InChI=1S/C26H32N4O4S/c1-35-24-7-3-2-5-17(24)21-6-4-10-30(21)25(32)14-28-26(33)27-13-16-8-9-19-18(11-16)23-12-20(29-19)22(31)15-34-23/h2-3,5,7-9,11,20-23,29,31H,4,6,10,12-15H2,1H3,(H2,27,28,33)/t20-,21+,22-,23-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare Curated by ChEMBL					Assay Description Displacement of fluorescein labelled cyclosporine A derivative from human recombinant CypD (30 to 207 residues) expressed in Escherichia coli cells i...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126717 BindingDB Entry DOI: 10.7270/Q2JM2DZ2
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50516090 (CHEMBL4563478) Show SMILES CCN1Cc2cc(CCC(=O)NCC(=O)N3CCC[C@@H]3c3ccccc3SC)ccc2NCCC1=O |r| Show InChI InChI=1S/C28H36N4O3S/c1-3-31-19-21-17-20(10-12-23(21)29-15-14-27(31)34)11-13-26(33)30-18-28(35)32-16-6-8-24(32)22-7-4-5-9-25(22)36-2/h4-5,7,9-10,12,17,24,29H,3,6,8,11,13-16,18-19H2,1-2H3,(H,30,33)/t24-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare Curated by ChEMBL					Assay Description Displacement of fluorescein labelled cyclosporine A derivative from human recombinant CypD (30 to 207 residues) expressed in Escherichia coli cells i...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126717 BindingDB Entry DOI: 10.7270/Q2JM2DZ2
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM139995 (US8901295, F428) Show SMILES CCOC(=O)CNC(=O)NCc1ccc(N)cc1 Show InChI InChI=1S/C12H17N3O3/c1-2-18-11(16)8-15-12(17)14-7-9-3-5-10(13)6-4-9/h3-6H,2,7-8,13H2,1H3,(H2,14,15,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	7.8	20
Institut National de la Sante et de la Recherche Medicale (INSERM); Universite Montpellier 1; Universite Paris-EST Creteil val de Marne; Assistance Publique-Hopitaux de Paris; Centre National de la Recherche Scientifique US Patent					Assay Description Cyclophilin PPlase activity was measured at 20 C. by using the standard chymotrypsin coupled assay (Kofron J L, Kuzmic P, Kishore V, Colon-Bonilla E,...				US Patent US8901295 (2014) BindingDB Entry DOI: 10.7270/Q2R49PGS
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM140003 (US8901295, F673) Show SMILES Nc1ccc(CNC(=O)NCC(=O)N2CCCC2c2ccccc2Cl)cc1 Show InChI InChI=1S/C20H23ClN4O2/c21-17-5-2-1-4-16(17)18-6-3-11-25(18)19(26)13-24-20(27)23-12-14-7-9-15(22)10-8-14/h1-2,4-5,7-10,18H,3,6,11-13,22H2,(H2,23,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	7.8	20
Institut National de la Sante et de la Recherche Medicale (INSERM); Universite Montpellier 1; Universite Paris-EST Creteil val de Marne; Assistance Publique-Hopitaux de Paris; Centre National de la Recherche Scientifique US Patent					Assay Description Cyclophilin PPlase activity was measured at 20 C. by using the standard chymotrypsin coupled assay (Kofron J L, Kuzmic P, Kishore V, Colon-Bonilla E,...				US Patent US8901295 (2014) BindingDB Entry DOI: 10.7270/Q2R49PGS
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM92913 (Aryl 1-indanylketone, 2) Show SMILES Nc1cc(F)cc(-c2ccc(O)c(c2)C(=O)C2CCc3ccccc23)c1O Show InChI InChI=1S/C22H18FNO3/c23-14-10-17(22(27)19(24)11-14)13-6-8-20(25)18(9-13)21(26)16-7-5-12-3-1-2-4-15(12)16/h1-4,6,8-11,16,25,27H,5,7,24H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	6.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50516096 (CHEMBL4540033) Show SMILES CSc1ccccc1[C@H]1CCCN1C(=O)CNC(=O)NCc1ccc2NCCCc2c1 |r| Show InChI InChI=1S/C24H30N4O2S/c1-31-22-9-3-2-7-19(22)21-8-5-13-28(21)23(29)16-27-24(30)26-15-17-10-11-20-18(14-17)6-4-12-25-20/h2-3,7,9-11,14,21,25H,4-6,8,12-13,15-16H2,1H3,(H2,26,27,30)/t21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare Curated by ChEMBL					Assay Description Inhibition of CypD (unknown origin) PPIase activity using N-Suc-AAPF-p-nitroanilide as substrate preincubated with enzyme for 10 mins followed by chy...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126717 BindingDB Entry DOI: 10.7270/Q2JM2DZ2
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM394270 (US9975902, Example 1) Show SMILES O[C@@H]1COC2C[C@H]1Nc1ccc(CNC(=O)CN3C(=O)C4[C@@H]5CCC(C5)[C@H]4C3=O)cc21 |r| Show InChI InChI=1S/C23H27N3O5/c27-17-10-31-18-7-16(17)25-15-4-1-11(5-14(15)18)8-24-19(28)9-26-22(29)20-12-2-3-13(6-12)21(20)23(26)30/h1,4-5,12-13,16-18,20-21,25,27H,2-3,6-10H2,(H,24,28)/t12-,13?,16-,17-,18?,20?,21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
CSIC					Assay Description The binding capacity of the compounds was measured using a competition Fluorescence-Polarisation based assay with fluorescine labelled cyclosporin.				J Med Chem 52: 2724-32 (2009) BindingDB Entry DOI: 10.7270/Q26W9DD6
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM394272 (US9975902, Example 2) Show SMILES O=C(CN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O)NCc1ccc2NCCCc2c1 |r| Show InChI InChI=1S/C21H25N3O3/c25-17(23-10-12-3-6-16-13(8-12)2-1-7-22-16)11-24-20(26)18-14-4-5-15(9-14)19(18)21(24)27/h3,6,8,14-15,18-19,22H,1-2,4-5,7,9-11H2,(H,23,25)/t14-,15+,18-,19+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
CSIC					Assay Description The binding capacity of the compounds was measured using a competition Fluorescence-Polarisation based assay with fluorescine labelled cyclosporin.				J Med Chem 52: 2724-32 (2009) BindingDB Entry DOI: 10.7270/Q26W9DD6
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM394272 (US9975902, Example 2) Show SMILES O=C(CN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O)NCc1ccc2NCCCc2c1 |r| Show InChI InChI=1S/C21H25N3O3/c25-17(23-10-12-3-6-16-13(8-12)2-1-7-22-16)11-24-20(26)18-14-4-5-15(9-14)19(18)21(24)27/h3,6,8,14-15,18-19,22H,1-2,4-5,7,9-11H2,(H,23,25)/t14-,15+,18-,19+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
CSIC					Assay Description The peptidyl-proline isomerase activity (PPase) was determined by using a PPase-chymotrypsin coupled assay with suc-AAPF-p-NA as substrated and color...				J Med Chem 52: 2724-32 (2009) BindingDB Entry DOI: 10.7270/Q26W9DD6
					More data for this Ligand-Target Pair

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