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Compile Data Set for Download or QSAR

Found 17 hits of ki data for polymerid = 5332   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Peptidyl-prolyl cis-trans isomerase D


(Homo sapiens (Human))
BDBM50022815
PNG
((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
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
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2.60n/an/an/an/an/an/an/an/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
Cyclophilin D (CypD)


(Homo sapiens (Human))
BDBM50022815
PNG
((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
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
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7n/an/an/an/an/an/an/an/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
PNG
((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
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
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8.20n/an/an/an/an/an/an/an/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
Cyclophilin D (CypD)


(Homo sapiens (Human))
BDBM50339005
PNG
(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
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
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12n/an/an/an/an/an/an/an/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
Cyclophilin D (CypD)


(Homo sapiens (Human))
BDBM50022815
PNG
((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
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
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34n/an/an/an/an/an/an/an/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
PNG
(CHEMBL3799661)
Show SMILES CSCC[C@H](NC(=O)NCc1ccc(N)cc1)C(=O)N1CCC[C@H]1c1ccccc1SC
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
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99n/an/an/an/an/an/an/an/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
PNG
(CHEMBL3799597)
Show SMILES Nc1ccc(CNC(=O)NCC(=O)N2CCC[C@@H]2c2ccccc2Br)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)/t18-/m1/s1
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950n/an/an/an/an/an/an/an/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
PNG
(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)
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1.33E+3n/an/an/an/an/an/an/an/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
Cyclophilin D (CypD)


(Homo sapiens (Human))
BDBM92912
PNG
(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
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2.42E+3 -29.9n/an/an/an/an/a7.85



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
PNG
(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)
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2.60E+3n/an/an/an/an/an/an/an/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
PNG
(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)
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2.90E+3n/an/an/an/an/an/an/an/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))
BDBM50164673
PNG
(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)
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4.90E+3n/an/an/an/an/an/an/an/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
PNG
(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)
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5.90E+3n/an/an/an/an/an/an/an/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
Cyclophilin D (CypD)


(Homo sapiens (Human))
BDBM92913
PNG
(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
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6.28E+3 -27.7n/an/an/an/an/a7.85



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
PNG
(CHEMBL3798305)
Show SMILES CCOC(=O)[C@H](CCSC)NC(=O)NCc1ccc(N)cc1
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
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9.10E+3n/an/an/an/an/an/an/an/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
PNG
(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
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
2.20E+4n/an/an/an/an/an/an/an/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
PNG
(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
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
6.30E+4n/an/an/an/an/an/an/an/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