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Compile Data Set for Download or QSAR

Found 67 hits Enz. Inhib. hit(s) with Target = 'Xaa-Pro dipeptidase' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Xaa-Pro dipeptidase


(Homo sapiens)
BDBM50366413
PNG
(PHOSPHOENOLPYRUVATE)
Show SMILES OC(=O)C(=C)OP(O)(O)=O
Show InChI InChI=1S/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8)
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Article
8.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of prolidase from swine kidney at a pH 6


Citation and Details
More data for this
Ligand-Target Pair
Xaa-Pro dipeptidase


(Homo sapiens)
BDBM50285931
PNG
(2-((1R,2R)-2-Carboxy-cyclopentyl)-2-oxo-ethyl-ammo...)
Show SMILES [NH3+]CC(=O)[C@@H]1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C8H13NO3/c9-4-7(10)5-2-1-3-6(5)8(11)12/h5-6H,1-4,9H2,(H,11,12)/p+1/t5-,6-/m1/s1
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270n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine kidney prolidase


Citation and Details
More data for this
Ligand-Target Pair
Xaa-Pro dipeptidase


(Homo sapiens)
BDBM50366413
PNG
(PHOSPHOENOLPYRUVATE)
Show SMILES OC(=O)C(=C)OP(O)(O)=O
Show InChI InChI=1S/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8)
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300n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibitory constant for inhibition of prolidase in the first phase of biphasic inhibition


Citation and Details
More data for this
Ligand-Target Pair
Xaa-Pro dipeptidase


(Homo sapiens)
BDBM50240386
PNG
(5-amino-4-oxopentanoic acid | 5-aminolevulinic aci...)
Show SMILES NCC(=O)CCC(O)=O
Show InChI InChI=1S/C5H9NO3/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9)
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9.60E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine kidney prolidase


Citation and Details
More data for this
Ligand-Target Pair
Xaa-Pro dipeptidase


(Homo sapiens)
BDBM50285933
PNG
(2-((1R,2R)-2-Carboxy-cyclohexyl)-2-oxo-ethyl-ammon...)
Show SMILES [NH3+]CC(=O)[C@@H]1CCCC[C@H]1C(O)=O
Show InChI InChI=1S/C9H15NO3/c10-5-8(11)6-3-1-2-4-7(6)9(12)13/h6-7H,1-5,10H2,(H,12,13)/p+1/t6-,7-/m1/s1
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1.10E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine kidney prolidase


Citation and Details
More data for this
Ligand-Target Pair
Xaa-Pro dipeptidase


(Homo sapiens)
BDBM50078402
PNG
((S)-1-((R)-3-Amino-2-hydroxy-5-methyl-hexanoyl)-py...)
Show SMILES CC(C)CC(N)[C@@H](O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(N)=O
Show InChI InChI=1S/C15H28N4O4/c1-8(2)7-10(16)12(20)15(23)19-6-4-5-11(19)14(22)18-9(3)13(17)21/h8-12,20H,4-7,16H2,1-3H3,(H2,17,21)(H,18,22)/t9-,10?,11-,12+/m0/s1
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n/an/a 660n/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Inhibition against Prolidase from pig kidney.


Citation and Details
More data for this
Ligand-Target Pair
Xaa-Pro dipeptidase


(Homo sapiens)
BDBM50078397
PNG
(1-(3-Amino-2-hydroxy-5-methyl-hexanoyl)-pyrrolidin...)
Show SMILES CC(C)C[C@@H](N)C(O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(N)=O
Show InChI InChI=1S/C15H28N4O4/c1-8(2)7-10(16)12(20)15(23)19-6-4-5-11(19)14(22)18-9(3)13(17)21/h8-12,20H,4-7,16H2,1-3H3,(H2,17,21)(H,18,22)/t9-,10+,11-,12?/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Inhibition against Prolidase from pig kidney.


Citation and Details
More data for this
Ligand-Target Pair
Xaa-Pro dipeptidase


(Homo sapiens)
BDBM50078394
PNG
((S)-1-[(S)-1-((2S,3R)-3-Amino-2-hydroxy-4-phenyl-b...)
Show SMILES N[C@H](Cc1ccccc1)[C@H](O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(N)=O
Show InChI InChI=1S/C20H28N4O4/c21-14(12-13-6-2-1-3-7-13)17(25)20(28)24-11-5-9-16(24)19(27)23-10-4-8-15(23)18(22)26/h1-3,6-7,14-17,25H,4-5,8-12,21H2,(H2,22,26)/t14-,15+,16+,17+/m1/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Inhibition against Prolidase from pig kidney.


Citation and Details
More data for this
Ligand-Target Pair
Xaa-Pro dipeptidase


(Homo sapiens)
BDBM50078401
PNG
((S)-1-[(S)-1-((2S,3R)-3-Amino-2-hydroxy-4-phenyl-b...)
Show SMILES C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C23H33N5O5/c1-14(20(25)30)26-21(31)17-9-5-11-27(17)22(32)18-10-6-12-28(18)23(33)19(29)16(24)13-15-7-3-2-4-8-15/h2-4,7-8,14,16-19,29H,5-6,9-13,24H2,1H3,(H2,25,30)(H,26,31)/t14-,16+,17-,18-,19-/m0/s1
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n/an/a 4.90E+3n/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Inhibition against Prolidase from pig kidney.


Citation and Details
More data for this
Ligand-Target Pair
Xaa-Pro dipeptidase


(Homo sapiens)
BDBM50232506
PNG
(2-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butano...)
Show SMILES N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1C(O)c1ccc(F)cc1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C23H20F7N5O2/c24-13-3-1-11(2-4-13)20(37)19-21-32-33-22(23(28,29)30)35(21)6-5-34(19)18(36)9-14(31)7-12-8-16(26)17(27)10-15(12)25/h1-4,8,10,14,19-20,37H,5-7,9,31H2/t14-,19?,20?/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of prolidase


Citation and Details
More data for this
Ligand-Target Pair
Xaa-Pro dipeptidase


(Homo sapiens)
BDBM50411594
PNG
(CHEMBL2021529)
Show SMILES C[C@@H]1CN(Cc2ccc(n12)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C19H19F6N3O/c1-10-8-27(9-13-2-3-17(28(10)13)19(23,24)25)18(29)6-12(26)4-11-5-15(21)16(22)7-14(11)20/h2-3,5,7,10,12H,4,6,8-9,26H2,1H3/t10-,12-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of prolidase


Citation and Details
More data for this
Ligand-Target Pair
Xaa-Pro dipeptidase


(Homo sapiens)
BDBM50151843
PNG
((R)-3-Amino-1-((R)-2-benzyl-piperazin-1-yl)-4-(2-f...)
Show SMILES N[C@@H](CC(=O)N1CCNC[C@H]1Cc1ccccc1)Cc1ccccc1F
Show InChI InChI=1S/C21H26FN3O/c22-20-9-5-4-8-17(20)13-18(23)14-21(26)25-11-10-24-15-19(25)12-16-6-2-1-3-7-16/h1-9,18-19,24H,10-15,23H2/t18-,19-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of prolidase


Citation and Details
More data for this
Ligand-Target Pair
Xaa-Pro dipeptidase


(Homo sapiens)
BDBM50232503
PNG
((2R)-4-[8-(4-methoxybenzyl)-3-(trifluoromethyl)-5,...)
Show SMILES COc1ccc(CC2N(CCn3c2nnc3C(F)(F)F)C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1
Show InChI InChI=1S/C24H23F6N5O2/c1-37-16-4-2-13(3-5-16)8-20-22-32-33-23(24(28,29)30)35(22)7-6-34(20)21(36)11-15(31)9-14-10-18(26)19(27)12-17(14)25/h2-5,10,12,15,20H,6-9,11,31H2,1H3/t15-,20?/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of prolidase


Citation and Details
More data for this
Ligand-Target Pair
Xaa-Pro dipeptidase


(Homo sapiens)
BDBM50232519
PNG
((2R)-4-[8-[3,5-bis(trifluoromethyl)benzyl]-3-(trif...)
Show SMILES N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C25H19F12N5O/c26-16-10-18(28)17(27)7-12(16)6-15(38)9-20(43)41-1-2-42-21(39-40-22(42)25(35,36)37)19(41)5-11-3-13(23(29,30)31)8-14(4-11)24(32,33)34/h3-4,7-8,10,15,19H,1-2,5-6,9,38H2/t15-,19?/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of prolidase


Citation and Details
More data for this
Ligand-Target Pair
Xaa-Pro dipeptidase


(Homo sapiens)
BDBM50232508
PNG
((2R)-4-[8-(2,2,2-trifluoroethyl)-3-(trifluoromethy...)
Show SMILES N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1CC(F)(F)F)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C18H16F9N5O/c19-10-6-12(21)11(20)4-8(10)3-9(28)5-14(33)31-1-2-32-15(13(31)7-17(22,23)24)29-30-16(32)18(25,26)27/h4,6,9,13H,1-3,5,7,28H2/t9-,13?/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of prolidase


Citation and Details
More data for this
Ligand-Target Pair
Xaa-Pro dipeptidase


(Homo sapiens)
BDBM50232506
PNG
(2-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butano...)
Show SMILES N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1C(O)c1ccc(F)cc1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C23H20F7N5O2/c24-13-3-1-11(2-4-13)20(37)19-21-32-33-22(23(28,29)30)35(21)6-5-34(19)18(36)9-14(31)7-12-8-16(26)17(27)10-15(12)25/h1-4,8,10,14,19-20,37H,5-7,9,31H2/t14-,19?,20?/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of prolidase


Citation and Details
More data for this
Ligand-Target Pair
Xaa-Pro dipeptidase


(Homo sapiens)
BDBM50232501
PNG
((2R)-4-[8-(2-fluorobenzyl)-3-(trifluoromethyl)-5,6...)
Show SMILES N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1Cc1ccccc1F)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C23H20F7N5O/c24-15-4-2-1-3-12(15)9-19-21-32-33-22(23(28,29)30)35(21)6-5-34(19)20(36)10-14(31)7-13-8-17(26)18(27)11-16(13)25/h1-4,8,11,14,19H,5-7,9-10,31H2/t14-,19?/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of prolidase


Citation and Details
More data for this
Ligand-Target Pair
Xaa-Pro dipeptidase


(Homo sapiens)
BDBM50232511
PNG
((2R)-4-[8-ethyl-3-(trifluoromethyl)-5,6-dihydro[1,...)
Show SMILES CCC1N(CCn2c1nnc2C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C18H19F6N5O/c1-2-14-16-26-27-17(18(22,23)24)29(16)4-3-28(14)15(30)7-10(25)5-9-6-12(20)13(21)8-11(9)19/h6,8,10,14H,2-5,7,25H2,1H3/t10-,14?/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of prolidase


Citation and Details
More data for this
Ligand-Target Pair
Xaa-Pro dipeptidase


(Homo sapiens)
BDBM50232506
PNG
(2-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butano...)
Show SMILES N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1C(O)c1ccc(F)cc1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C23H20F7N5O2/c24-13-3-1-11(2-4-13)20(37)19-21-32-33-22(23(28,29)30)35(21)6-5-34(19)18(36)9-14(31)7-12-8-16(26)17(27)10-15(12)25/h1-4,8,10,14,19-20,37H,5-7,9,31H2/t14-,19?,20?/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of prolidase


Citation and Details
More data for this
Ligand-Target Pair
Xaa-Pro dipeptidase


(Homo sapiens)
BDBM50232502
PNG
((2R)-4-[(8S)-8-methyl-3-(trifluoromethyl)-5,6-dihy...)
Show SMILES C[C@@H]1N(CCn2c1nnc2C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C17H17F6N5O/c1-8-15-25-26-16(17(21,22)23)28(15)3-2-27(8)14(29)6-10(24)4-9-5-12(19)13(20)7-11(9)18/h5,7-8,10H,2-4,6,24H2,1H3/t8-,10+/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of prolidase


Citation and Details
More data for this
Ligand-Target Pair
Xaa-Pro dipeptidase


(Homo sapiens)
BDBM50232504
PNG
((2R)-4-[5,8-dimethyl-3-(trifluoromethyl)-5,6-dihyd...)
Show SMILES CC1CN(C(C)c2nnc(n12)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C18H19F6N5O/c1-8-7-28(9(2)16-26-27-17(29(8)16)18(22,23)24)15(30)5-11(25)3-10-4-13(20)14(21)6-12(10)19/h4,6,8-9,11H,3,5,7,25H2,1-2H3/t8?,9?,11-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of prolidase


Citation and Details
More data for this
Ligand-Target Pair
Xaa-Pro dipeptidase


(Homo sapiens)
BDBM50232518
PNG
((2R)-4-oxo-4-[8-(pyridin-2-ylmethyl)-3-(trifluorom...)
Show SMILES N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1Cc1ccccn1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C22H20F6N6O/c23-15-11-17(25)16(24)8-12(15)7-13(29)9-19(35)33-5-6-34-20(31-32-21(34)22(26,27)28)18(33)10-14-3-1-2-4-30-14/h1-4,8,11,13,18H,5-7,9-10,29H2/t13-,18?/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of prolidase


Citation and Details
More data for this
Ligand-Target Pair
Xaa-Pro dipeptidase


(Homo sapiens)
BDBM50232510
PNG
((2R)-4-[8-benzyl-3-(trifluoromethyl)-5,6-dihydro[1...)
Show SMILES N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1Cc1ccccc1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C23H21F6N5O/c24-16-12-18(26)17(25)10-14(16)9-15(30)11-20(35)33-6-7-34-21(31-32-22(34)23(27,28)29)19(33)8-13-4-2-1-3-5-13/h1-5,10,12,15,19H,6-9,11,30H2/t15-,19?/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of prolidase


Citation and Details
More data for this
Ligand-Target Pair
Xaa-Pro dipeptidase


(Homo sapiens)
BDBM50232514
PNG
((2R)-4-[8-allyl-3-(trifluoromethyl)-5,6-dihydro[[1...)
Show SMILES N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1CC=C)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C19H19F6N5O/c1-2-3-15-17-27-28-18(19(23,24)25)30(17)5-4-29(15)16(31)8-11(26)6-10-7-13(21)14(22)9-12(10)20/h2,7,9,11,15H,1,3-6,8,26H2/t11-,15?/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of prolidase


Citation and Details
More data for this
Ligand-Target Pair
Xaa-Pro dipeptidase


(Homo sapiens)
BDBM50232504
PNG
((2R)-4-[5,8-dimethyl-3-(trifluoromethyl)-5,6-dihyd...)
Show SMILES CC1CN(C(C)c2nnc(n12)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C18H19F6N5O/c1-8-7-28(9(2)16-26-27-17(29(8)16)18(22,23)24)15(30)5-11(25)3-10-4-13(20)14(21)6-12(10)19/h4,6,8-9,11H,3,5,7,25H2,1-2H3/t8?,9?,11-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of prolidase


Citation and Details
More data for this
Ligand-Target Pair
Xaa-Pro dipeptidase


(Homo sapiens)
BDBM50232506
PNG
(2-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butano...)
Show SMILES N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1C(O)c1ccc(F)cc1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C23H20F7N5O2/c24-13-3-1-11(2-4-13)20(37)19-21-32-33-22(23(28,29)30)35(21)6-5-34(19)18(36)9-14(31)7-12-8-16(26)17(27)10-15(12)25/h1-4,8,10,14,19-20,37H,5-7,9,31H2/t14-,19?,20?/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of prolidase


Citation and Details
More data for this
Ligand-Target Pair
Xaa-Pro dipeptidase


(Homo sapiens)
BDBM50232507
PNG
(2-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butano...)
Show SMILES CN(C)C(=O)CC1N(CCn2c1nnc2C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C20H22F6N6O2/c1-30(2)16(33)9-15-18-28-29-19(20(24,25)26)32(18)4-3-31(15)17(34)7-11(27)5-10-6-13(22)14(23)8-12(10)21/h6,8,11,15H,3-5,7,9,27H2,1-2H3/t11-,15?/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of prolidase


Citation and Details
More data for this
Ligand-Target Pair
Xaa-Pro dipeptidase


(Homo sapiens)
BDBM50232510
PNG
((2R)-4-[8-benzyl-3-(trifluoromethyl)-5,6-dihydro[1...)
Show SMILES N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1Cc1ccccc1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C23H21F6N5O/c24-16-12-18(26)17(25)10-14(16)9-15(30)11-20(35)33-6-7-34-21(31-32-22(34)23(27,28)29)19(33)8-13-4-2-1-3-5-13/h1-5,10,12,15,19H,6-9,11,30H2/t15-,19?/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of prolidase


Citation and Details
More data for this
Ligand-Target Pair
Xaa-Pro dipeptidase


(Homo sapiens)
BDBM50232505
PNG
((2R)-4-[5,5-dimethyl-3-(trifluoromethyl)-5,6-dihyd...)
Show SMILES CC1(C)CN(Cc2nnc(n12)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C18H19F6N5O/c1-17(2)8-28(7-14-26-27-16(29(14)17)18(22,23)24)15(30)5-10(25)3-9-4-12(20)13(21)6-11(9)19/h4,6,10H,3,5,7-8,25H2,1-2H3/t10-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of prolidase


Citation and Details
More data for this
Ligand-Target Pair
Xaa-Pro dipeptidase


(Homo sapiens)
BDBM11162
PNG
((1R)-3-oxo-3-[3-(trifluoroethyl)-5,6-dihydro[1,2,4...)
Show SMILES N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of prolidase


Citation and Details
More data for this
Ligand-Target Pair
Xaa-Pro dipeptidase


(Homo sapiens)
BDBM50232501
PNG
((2R)-4-[8-(2-fluorobenzyl)-3-(trifluoromethyl)-5,6...)
Show SMILES N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1Cc1ccccc1F)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C23H20F7N5O/c24-15-4-2-1-3-12(15)9-19-21-32-33-22(23(28,29)30)35(21)6-5-34(19)20(36)10-14(31)7-13-8-17(26)18(27)11-16(13)25/h1-4,8,11,14,19H,5-7,9-10,31H2/t14-,19?/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of prolidase


Citation and Details
More data for this
Ligand-Target Pair
Xaa-Pro dipeptidase


(Homo sapiens)
BDBM50232524
PNG
((2R)-4-[8,8-dimethyl-3-(trifluoromethyl)-5,6-dihyd...)
Show SMILES CC1(C)N(CCn2c(nnc12)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C18H19F6N5O/c1-17(2)15-26-27-16(18(22,23)24)28(15)3-4-29(17)14(30)7-10(25)5-9-6-12(20)13(21)8-11(9)19/h6,8,10H,3-5,7,25H2,1-2H3/t10-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of prolidase


Citation and Details
More data for this
Ligand-Target Pair
Xaa-Pro dipeptidase


(Homo sapiens)
BDBM50232520
PNG
((2R)-4-oxo-4-[3-(trifluoromethyl)-8-[2-(trifluorom...)
Show SMILES N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1Cc1ccccc1C(F)(F)F)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C24H20F9N5O/c25-16-11-18(27)17(26)8-13(16)7-14(34)10-20(39)37-5-6-38-21(35-36-22(38)24(31,32)33)19(37)9-12-3-1-2-4-15(12)23(28,29)30/h1-4,8,11,14,19H,5-7,9-10,34H2/t14-,19?/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of prolidase


Citation and Details
More data for this
Ligand-Target Pair
Xaa-Pro dipeptidase


(Homo sapiens)
BDBM50232521
PNG
((2R)-4-[(6R)-6-methyl-3-(trifluoromethyl)-5,6-dihy...)
Show SMILES C[C@@H]1Cn2c(CN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)nnc2C(F)(F)F
Show InChI InChI=1S/C17H17F6N5O/c1-8-6-28-14(25-26-16(28)17(21,22)23)7-27(8)15(29)4-10(24)2-9-3-12(19)13(20)5-11(9)18/h3,5,8,10H,2,4,6-7,24H2,1H3/t8-,10-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of prolidase


Citation and Details
More data for this
Ligand-Target Pair
Xaa-Pro dipeptidase


(Homo sapiens)
BDBM50232500
PNG
(((2R)-4-[(6S)-6-methyl-3-(trifluoromethyl)-5,6-dih...)
Show SMILES C[C@H]1Cn2c(CN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)nnc2C(F)(F)F
Show InChI InChI=1S/C17H17F6N5O/c1-8-6-28-14(25-26-16(28)17(21,22)23)7-27(8)15(29)4-10(24)2-9-3-12(19)13(20)5-11(9)18/h3,5,8,10H,2,4,6-7,24H2,1H3/t8-,10+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of prolidase


Citation and Details
More data for this
Ligand-Target Pair
Xaa-Pro dipeptidase


(Homo sapiens)
BDBM50232508
PNG
((2R)-4-[8-(2,2,2-trifluoroethyl)-3-(trifluoromethy...)
Show SMILES N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1CC(F)(F)F)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C18H16F9N5O/c19-10-6-12(21)11(20)4-8(10)3-9(28)5-14(33)31-1-2-32-15(13(31)7-17(22,23)24)29-30-16(32)18(25,26)27/h4,6,9,13H,1-3,5,7,28H2/t9-,13?/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of prolidase


Citation and Details
More data for this
Ligand-Target Pair
Xaa-Pro dipeptidase


(Homo sapiens)
BDBM50371255
PNG
(CHEMBL1203953)
Show SMILES N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)[C@H]1Cc1ccc(F)cc1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C23H20F7N5O/c24-14-3-1-12(2-4-14)7-19-21-32-33-22(23(28,29)30)35(21)6-5-34(19)20(36)10-15(31)8-13-9-17(26)18(27)11-16(13)25/h1-4,9,11,15,19H,5-8,10,31H2/t15-,19-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of prolidase


Citation and Details
More data for this
Ligand-Target Pair
Xaa-Pro dipeptidase


(Homo sapiens)
BDBM50232503
PNG
((2R)-4-[8-(4-methoxybenzyl)-3-(trifluoromethyl)-5,...)
Show SMILES COc1ccc(CC2N(CCn3c2nnc3C(F)(F)F)C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)cc1
Show InChI InChI=1S/C24H23F6N5O2/c1-37-16-4-2-13(3-5-16)8-20-22-32-33-23(24(28,29)30)35(22)7-6-34(20)21(36)11-15(31)9-14-10-18(26)19(27)12-17(14)25/h2-5,10,12,15,20H,6-9,11,31H2,1H3/t15-,20?/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of prolidase


Citation and Details
More data for this
Ligand-Target Pair
Xaa-Pro dipeptidase


(Homo sapiens)
BDBM50411595
PNG
(CHEMBL2021541)
Show SMILES C[C@H]1CN(Cc2ccc(n12)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C19H19F6N3O/c1-10-8-27(9-13-2-3-17(28(10)13)19(23,24)25)18(29)6-12(26)4-11-5-15(21)16(22)7-14(11)20/h2-3,5,7,10,12H,4,6,8-9,26H2,1H3/t10-,12+/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of prolidase


Citation and Details
More data for this
Ligand-Target Pair
Xaa-Pro dipeptidase


(Homo sapiens)
BDBM50232511
PNG
((2R)-4-[8-ethyl-3-(trifluoromethyl)-5,6-dihydro[1,...)
Show SMILES CCC1N(CCn2c1nnc2C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C18H19F6N5O/c1-2-14-16-26-27-17(18(22,23)24)29(16)4-3-28(14)15(30)7-10(25)5-9-6-12(20)13(21)8-11(9)19/h6,8,10,14H,2-5,7,25H2,1H3/t10-,14?/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of prolidase


Citation and Details
More data for this
Ligand-Target Pair
Xaa-Pro dipeptidase


(Homo sapiens)
BDBM50232512
PNG
((2R)-4-[(8S)-8-(4-fluorobenzyl)-3-(trifluoromethyl...)
Show SMILES N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)[C@@H]1Cc1ccc(F)cc1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C23H20F7N5O/c24-14-3-1-12(2-4-14)7-19-21-32-33-22(23(28,29)30)35(21)6-5-34(19)20(36)10-15(31)8-13-9-17(26)18(27)11-16(13)25/h1-4,9,11,15,19H,5-8,10,31H2/t15-,19+/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of prolidase


Citation and Details
More data for this
Ligand-Target Pair
Xaa-Pro dipeptidase


(Homo sapiens)
BDBM50232518
PNG
((2R)-4-oxo-4-[8-(pyridin-2-ylmethyl)-3-(trifluorom...)
Show SMILES N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1Cc1ccccn1)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C22H20F6N6O/c23-15-11-17(25)16(24)8-12(15)7-13(29)9-19(35)33-5-6-34-20(31-32-21(34)22(26,27)28)18(33)10-14-3-1-2-4-30-14/h1-4,8,11,13,18H,5-7,9-10,29H2/t13-,18?/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of prolidase


Citation and Details
More data for this
Ligand-Target Pair
Xaa-Pro dipeptidase


(Homo sapiens)
BDBM50232504
PNG
((2R)-4-[5,8-dimethyl-3-(trifluoromethyl)-5,6-dihyd...)
Show SMILES CC1CN(C(C)c2nnc(n12)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C18H19F6N5O/c1-8-7-28(9(2)16-26-27-17(29(8)16)18(22,23)24)15(30)5-11(25)3-10-4-13(20)14(21)6-12(10)19/h4,6,8-9,11H,3,5,7,25H2,1-2H3/t8?,9?,11-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of prolidase


Citation and Details
More data for this
Ligand-Target Pair
Xaa-Pro dipeptidase


(Homo sapiens)
BDBM50232514
PNG
((2R)-4-[8-allyl-3-(trifluoromethyl)-5,6-dihydro[[1...)
Show SMILES N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1CC=C)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C19H19F6N5O/c1-2-3-15-17-27-28-18(19(23,24)25)30(17)5-4-29(15)16(31)8-11(26)6-10-7-13(21)14(22)9-12(10)20/h2,7,9,11,15H,1,3-6,8,26H2/t11-,15?/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of prolidase


Citation and Details
More data for this
Ligand-Target Pair
Xaa-Pro dipeptidase


(Homo sapiens)
BDBM50232504
PNG
((2R)-4-[5,8-dimethyl-3-(trifluoromethyl)-5,6-dihyd...)
Show SMILES CC1CN(C(C)c2nnc(n12)C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C18H19F6N5O/c1-8-7-28(9(2)16-26-27-17(29(8)16)18(22,23)24)15(30)5-11(25)3-10-4-13(20)14(21)6-12(10)19/h4,6,8-9,11H,3,5,7,25H2,1-2H3/t8?,9?,11-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of prolidase


Citation and Details
More data for this
Ligand-Target Pair
Xaa-Pro dipeptidase


(Homo sapiens)
BDBM50232520
PNG
((2R)-4-oxo-4-[3-(trifluoromethyl)-8-[2-(trifluorom...)
Show SMILES N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1Cc1ccccc1C(F)(F)F)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C24H20F9N5O/c25-16-11-18(27)17(26)8-13(16)7-14(34)10-20(39)37-5-6-38-21(35-36-22(38)24(31,32)33)19(37)9-12-3-1-2-4-15(12)23(28,29)30/h1-4,8,11,14,19H,5-7,9-10,34H2/t14-,19?/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of prolidase


Citation and Details
More data for this
Ligand-Target Pair
Xaa-Pro dipeptidase


(Homo sapiens)
BDBM50151819
PNG
((R)-3-Amino-4-(2-fluoro-phenyl)-1-piperazin-1-yl-b...)
Show SMILES N[C@@H](CC(=O)N1CCNCC1)Cc1ccccc1F
Show InChI InChI=1S/C14H20FN3O/c15-13-4-2-1-3-11(13)9-12(16)10-14(19)18-7-5-17-6-8-18/h1-4,12,17H,5-10,16H2/t12-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of prolidase


Citation and Details
More data for this
Ligand-Target Pair
Xaa-Pro dipeptidase


(Homo sapiens)
BDBM50232502
PNG
((2R)-4-[(8S)-8-methyl-3-(trifluoromethyl)-5,6-dihy...)
Show SMILES C[C@@H]1N(CCn2c1nnc2C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C17H17F6N5O/c1-8-15-25-26-16(17(21,22)23)28(15)3-2-27(8)14(29)6-10(24)4-9-5-12(19)13(20)7-11(9)18/h5,7-8,10H,2-4,6,24H2,1H3/t8-,10+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of prolidase


Citation and Details
More data for this
Ligand-Target Pair
Xaa-Pro dipeptidase


(Homo sapiens)
BDBM50232507
PNG
(2-[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butano...)
Show SMILES CN(C)C(=O)CC1N(CCn2c1nnc2C(F)(F)F)C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C20H22F6N6O2/c1-30(2)16(33)9-15-18-28-29-19(20(24,25)26)32(18)4-3-31(15)17(34)7-11(27)5-10-6-13(22)14(23)8-12(10)21/h6,8,11,15H,3-5,7,9,27H2,1-2H3/t11-,15?/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of prolidase


Citation and Details
More data for this
Ligand-Target Pair
Xaa-Pro dipeptidase


(Homo sapiens)
BDBM50232519
PNG
((2R)-4-[8-[3,5-bis(trifluoromethyl)benzyl]-3-(trif...)
Show SMILES N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)Cc1cc(F)c(F)cc1F
Show InChI InChI=1S/C25H19F12N5O/c26-16-10-18(28)17(27)7-12(16)6-15(38)9-20(43)41-1-2-42-21(39-40-22(42)25(35,36)37)19(41)5-11-3-13(23(29,30)31)8-14(4-11)24(32,33)34/h3-4,7-8,10,15,19H,1-2,5-6,9,38H2/t15-,19?/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of prolidase


Citation and Details
More data for this
Ligand-Target Pair
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