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Compile Data Set for Download or QSAR

Found 162 hits Enz. Inhib. hit(s) with Target = 'Seprase' AND taxid = 10090   
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
Seprase


(Mus musculus)
BDBM50434188
PNG
(CHEMBL2385281)
Show SMILES O=C(CNC(=O)c1ccnc2ccccc12)N1CCC[C@H]1C#N
Show InChI InChI=1S/C17H16N4O2/c18-10-12-4-3-9-21(12)16(22)11-20-17(23)14-7-8-19-15-6-2-1-5-13(14)15/h1-2,5-8,12H,3-4,9,11H2,(H,20,23)/t12-/m0/s1
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3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mouse recombinant FAP expressed in HEK293 cells using Ala-Pro-p-nitroanilide as substrate incubated for 15 mins prior to substrate addi...


Citation and Details
More data for this
Ligand-Target Pair
Seprase


(Mus musculus)
BDBM50434169
PNG
(CHEMBL2385300)
Show SMILES Brc1cccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c12
Show InChI InChI=1S/C17H15BrN4O2/c18-13-4-1-5-14-16(13)12(6-7-20-14)17(24)21-10-15(23)22-8-2-3-11(22)9-19/h1,4-7,11H,2-3,8,10H2,(H,21,24)/t11-/m0/s1
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4.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mouse recombinant FAP expressed in HEK293 cells using Ala-Pro-p-nitroanilide as substrate incubated for 15 mins prior to substrate addi...


Citation and Details
More data for this
Ligand-Target Pair
Seprase


(Mus musculus)
BDBM50009366
PNG
(CHEMBL3233842)
Show SMILES FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccccc12
Show InChI InChI=1S/C17H14F2N4O2/c18-17(19)7-11(8-20)23(10-17)15(24)9-22-16(25)13-5-6-21-14-4-2-1-3-12(13)14/h1-6,11H,7,9-10H2,(H,22,25)/t11-/m0/s1
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n/an/a 3.20n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse FAP purified from HEK293 cell supernatant using Ala-Pro-p-nitroanilide as substrate by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Seprase


(Mus musculus)
BDBM50009364
PNG
(CHEMBL3233840)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1ccnc2ccccc12
Show InChI InChI=1S/C17H15FN4O2/c18-11-7-12(8-19)22(10-11)16(23)9-21-17(24)14-5-6-20-15-4-2-1-3-13(14)15/h1-6,11-12H,7,9-10H2,(H,21,24)/t11-,12-/m0/s1
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n/an/a 3.30n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse FAP purified from HEK293 cell supernatant using Ala-Pro-p-nitroanilide as substrate by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Seprase


(Mus musculus)
BDBM50009370
PNG
(CHEMBL3233847)
Show SMILES OB(O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12
Show InChI InChI=1S/C16H18BN3O4/c21-15(20-9-3-6-14(20)17(23)24)10-19-16(22)12-7-8-18-13-5-2-1-4-11(12)13/h1-2,4-5,7-8,14,23-24H,3,6,9-10H2,(H,19,22)/t14-/m0/s1
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n/an/a 3.70n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse FAP purified from HEK293 cell supernatant using Ala-Pro-p-nitroanilide as substrate by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Seprase


(Mus musculus)
BDBM50009360
PNG
(CHEMBL3233835)
Show SMILES Cc1cccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c12
Show InChI InChI=1S/C18H18N4O2/c1-12-4-2-6-15-17(12)14(7-8-20-15)18(24)21-11-16(23)22-9-3-5-13(22)10-19/h2,4,6-8,13H,3,5,9,11H2,1H3,(H,21,24)/t13-/m0/s1
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n/an/a 4.30n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse FAP purified from HEK293 cell supernatant using Ala-Pro-p-nitroanilide as substrate by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Seprase


(Mus musculus)
BDBM50434163
PNG
(CHEMBL2385273)
Show SMILES Brc1ccc2c(ccnc2c1)C(=O)NCC(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C17H15BrN4O2/c18-11-3-4-13-14(5-6-20-15(13)8-11)17(24)21-10-16(23)22-7-1-2-12(22)9-19/h3-6,8,12H,1-2,7,10H2,(H,21,24)/t12-/m0/s1
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n/an/a 6.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mouse recombinant FAP expressed in HEK293 cells using Ala-Pro-p-nitroanilide as substrate incubated for 15 mins prior to substrate addi...


Citation and Details
More data for this
Ligand-Target Pair
Seprase


(Mus musculus)
BDBM50009359
PNG
(CHEMBL3233834)
Show SMILES Cc1ccc2c(ccnc2c1)C(=O)NCC(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C18H18N4O2/c1-12-4-5-14-15(6-7-20-16(14)9-12)18(24)21-11-17(23)22-8-2-3-13(22)10-19/h4-7,9,13H,2-3,8,11H2,1H3,(H,21,24)/t13-/m0/s1
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n/an/a 6.90n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse FAP purified from HEK293 cell supernatant using Ala-Pro-p-nitroanilide as substrate by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Seprase


(Mus musculus)
BDBM50434164
PNG
(CHEMBL2385272)
Show SMILES Clc1ccc2c(ccnc2c1)C(=O)NCC(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C17H15ClN4O2/c18-11-3-4-13-14(5-6-20-15(13)8-11)17(24)21-10-16(23)22-7-1-2-12(22)9-19/h3-6,8,12H,1-2,7,10H2,(H,21,24)/t12-/m0/s1
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n/an/a 7.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mouse recombinant FAP expressed in HEK293 cells using Ala-Pro-p-nitroanilide as substrate incubated for 15 mins prior to substrate addi...


Citation and Details
More data for this
Ligand-Target Pair
Seprase


(Mus musculus)
BDBM50009331
PNG
(CHEMBL3233843)
Show SMILES COc1ccc2nccc(C(=O)NCC(=O)N3CC(F)(F)C[C@H]3C#N)c2c1
Show InChI InChI=1S/C18H16F2N4O3/c1-27-12-2-3-15-14(6-12)13(4-5-22-15)17(26)23-9-16(25)24-10-18(19,20)7-11(24)8-21/h2-6,11H,7,9-10H2,1H3,(H,23,26)/t11-/m0/s1
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n/an/a 8.5n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse FAP purified from HEK293 cell supernatant using Ala-Pro-p-nitroanilide as substrate by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Seprase


(Mus musculus)
BDBM50434165
PNG
(CHEMBL2385271)
Show SMILES COc1ccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c2c1
Show InChI InChI=1S/C18H18N4O3/c1-25-13-4-5-16-15(9-13)14(6-7-20-16)18(24)21-11-17(23)22-8-2-3-12(22)10-19/h4-7,9,12H,2-3,8,11H2,1H3,(H,21,24)/t12-/m0/s1
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n/an/a 9.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mouse recombinant FAP expressed in HEK293 cells using Ala-Pro-p-nitroanilide as substrate incubated for 15 mins prior to substrate addi...


Citation and Details
More data for this
Ligand-Target Pair
Seprase


(Mus musculus)
BDBM50434170
PNG
(CHEMBL2385299)
Show SMILES Clc1cccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c12
Show InChI InChI=1S/C17H15ClN4O2/c18-13-4-1-5-14-16(13)12(6-7-20-14)17(24)21-10-15(23)22-8-2-3-11(22)9-19/h1,4-7,11H,2-3,8,10H2,(H,21,24)/t11-/m0/s1
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n/an/a 9.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mouse recombinant FAP expressed in HEK293 cells using Ala-Pro-p-nitroanilide as substrate incubated for 15 mins prior to substrate addi...


Citation and Details
More data for this
Ligand-Target Pair
Seprase


(Mus musculus)
BDBM50434166
PNG
(CHEMBL2385270)
Show SMILES Fc1ccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c2c1
Show InChI InChI=1S/C17H15FN4O2/c18-11-3-4-15-14(8-11)13(5-6-20-15)17(24)21-10-16(23)22-7-1-2-12(22)9-19/h3-6,8,12H,1-2,7,10H2,(H,21,24)/t12-/m0/s1
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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mouse recombinant FAP expressed in HEK293 cells using Ala-Pro-p-nitroanilide as substrate incubated for 15 mins prior to substrate addi...


Citation and Details
More data for this
Ligand-Target Pair
Seprase


(Mus musculus)
BDBM50434188
PNG
(CHEMBL2385281)
Show SMILES O=C(CNC(=O)c1ccnc2ccccc12)N1CCC[C@H]1C#N
Show InChI InChI=1S/C17H16N4O2/c18-10-12-4-3-9-21(12)16(22)11-20-17(23)14-7-8-19-15-6-2-1-5-13(14)15/h1-2,5-8,12H,3-4,9,11H2,(H,20,23)/t12-/m0/s1
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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mouse recombinant FAP expressed in HEK293 cells using Ala-Pro-p-nitroanilide as substrate incubated for 15 mins prior to substrate addi...


Citation and Details
More data for this
Ligand-Target Pair
Seprase


(Mus musculus)
BDBM50434188
PNG
(CHEMBL2385281)
Show SMILES O=C(CNC(=O)c1ccnc2ccccc12)N1CCC[C@H]1C#N
Show InChI InChI=1S/C17H16N4O2/c18-10-12-4-3-9-21(12)16(22)11-20-17(23)14-7-8-19-15-6-2-1-5-13(14)15/h1-2,5-8,12H,3-4,9,11H2,(H,20,23)/t12-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse FAP purified from HEK293 cell supernatant using Ala-Pro-p-nitroanilide as substrate by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Seprase


(Mus musculus)
BDBM50434169
PNG
(CHEMBL2385300)
Show SMILES Brc1cccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c12
Show InChI InChI=1S/C17H15BrN4O2/c18-13-4-1-5-14-16(13)12(6-7-20-14)17(24)21-10-15(23)22-8-2-3-11(22)9-19/h1,4-7,11H,2-3,8,10H2,(H,21,24)/t11-/m0/s1
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n/an/a 11n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mouse recombinant FAP expressed in HEK293 cells using Ala-Pro-p-nitroanilide as substrate incubated for 15 mins prior to substrate addi...


Citation and Details
More data for this
Ligand-Target Pair
Seprase


(Mus musculus)
BDBM50434169
PNG
(CHEMBL2385300)
Show SMILES Brc1cccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c12
Show InChI InChI=1S/C17H15BrN4O2/c18-13-4-1-5-14-16(13)12(6-7-20-14)17(24)21-10-15(23)22-8-2-3-11(22)9-19/h1,4-7,11H,2-3,8,10H2,(H,21,24)/t11-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse FAP purified from HEK293 cell supernatant using Ala-Pro-p-nitroanilide as substrate by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Seprase


(Mus musculus)
BDBM50434167
PNG
(CHEMBL2385302)
Show SMILES FC(F)(F)Oc1ccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c2c1
Show InChI InChI=1S/C18H15F3N4O3/c19-18(20,21)28-12-3-4-15-14(8-12)13(5-6-23-15)17(27)24-10-16(26)25-7-1-2-11(25)9-22/h3-6,8,11H,1-2,7,10H2,(H,24,27)/t11-/m0/s1
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n/an/a 12n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mouse recombinant FAP expressed in HEK293 cells using Ala-Pro-p-nitroanilide as substrate incubated for 15 mins prior to substrate addi...


Citation and Details
More data for this
Ligand-Target Pair
Seprase


(Mus musculus)
BDBM50434168
PNG
(CHEMBL2385301)
Show SMILES Clc1ccc2nccc(C(=O)NCC(=O)N3CCC[C@H]3C#N)c2c1
Show InChI InChI=1S/C17H15ClN4O2/c18-11-3-4-15-14(8-11)13(5-6-20-15)17(24)21-10-16(23)22-7-1-2-12(22)9-19/h3-6,8,12H,1-2,7,10H2,(H,21,24)/t12-/m0/s1
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n/an/a 14n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mouse recombinant FAP expressed in HEK293 cells using Ala-Pro-p-nitroanilide as substrate incubated for 15 mins prior to substrate addi...


Citation and Details
More data for this
Ligand-Target Pair
Seprase


(Mus musculus)
BDBM50326392
PNG
((2S)-1-({(2S,4S)-4-[2-(1,3-Dihydro-2H-isoindol-2-y...)
Show SMILES FC1(F)C[C@@H](C#N)N(C1)C(=O)[C@@H]1C[C@@H](CC(=O)N2Cc3ccccc3C2)C(=O)N1
Show InChI InChI=1S/C20H20F2N4O3/c21-20(22)7-15(8-23)26(11-20)19(29)16-5-14(18(28)24-16)6-17(27)25-9-12-3-1-2-4-13(12)10-25/h1-4,14-16H,5-7,9-11H2,(H,24,28)/t14-,15-,16-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse FAP purified from HEK293 cell supernatant using Ala-Pro-p-nitroanilide as substrate by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Seprase


(Mus musculus)
BDBM50431242
PNG
(CHEMBL2333026)
Show SMILES C[C@@H](NC(=O)c1ccncc1)C(=O)N1CCC[C@H]1B(O)O
Show InChI InChI=1S/C13H18BN3O4/c1-9(16-12(18)10-4-6-15-7-5-10)13(19)17-8-2-3-11(17)14(20)21/h4-7,9,11,20-21H,2-3,8H2,1H3,(H,16,18)/t9-,11+/m1/s1
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n/an/a 25n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse FAP purified from HEK293 cell supernatant using Ala-Pro-p-nitroanilide as substrate by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Seprase


(Mus musculus)
BDBM50009358
PNG
(CHEMBL3233833)
Show SMILES O=C(CNC(=O)c1ccnc2cnccc12)N1CCC[C@H]1C#N
Show InChI InChI=1S/C16H15N5O2/c17-8-11-2-1-7-21(11)15(22)10-20-16(23)13-4-6-19-14-9-18-5-3-12(13)14/h3-6,9,11H,1-2,7,10H2,(H,20,23)/t11-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse FAP purified from HEK293 cell supernatant using Ala-Pro-p-nitroanilide as substrate by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Seprase


(Mus musculus)
BDBM50009352
PNG
(CHEMBL3233572)
Show SMILES O=C(CNC(=O)c1ccnc2[nH]ccc12)N1CCC[C@H]1C#N
Show InChI InChI=1S/C15H15N5O2/c16-8-10-2-1-7-20(10)13(21)9-19-15(22)12-4-6-18-14-11(12)3-5-17-14/h3-6,10H,1-2,7,9H2,(H,17,18)(H,19,22)/t10-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse FAP purified from HEK293 cell supernatant using Ala-Pro-p-nitroanilide as substrate by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Seprase


(Mus musculus)
BDBM50009361
PNG
(CHEMBL3233837)
Show SMILES O=C(CNC(=O)c1ccnc2cc(Nc3ccccc3)ccc12)N1CCC[C@H]1C#N
Show InChI InChI=1S/C23H21N5O2/c24-14-18-7-4-12-28(18)22(29)15-26-23(30)20-10-11-25-21-13-17(8-9-19(20)21)27-16-5-2-1-3-6-16/h1-3,5-6,8-11,13,18,27H,4,7,12,15H2,(H,26,30)/t18-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse FAP purified from HEK293 cell supernatant using Ala-Pro-p-nitroanilide as substrate by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Seprase


(Mus musculus)
BDBM50009334
PNG
(CHEMBL3233554)
Show SMILES O=C(CNC(=O)c1ccncc1)N1CCC[C@H]1C#N
Show InChI InChI=1S/C13H14N4O2/c14-8-11-2-1-7-17(11)12(18)9-16-13(19)10-3-5-15-6-4-10/h3-6,11H,1-2,7,9H2,(H,16,19)/t11-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse FAP purified from HEK293 cell supernatant using Ala-Pro-p-nitroanilide as substrate by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Seprase


(Mus musculus)
BDBM50009362
PNG
(CHEMBL3233838)
Show SMILES O=C(CNC(=O)c1ccnc2cccc(-c3ccccc3)c12)N1CCC[C@H]1C#N
Show InChI InChI=1S/C23H20N4O2/c24-14-17-8-5-13-27(17)21(28)15-26-23(29)19-11-12-25-20-10-4-9-18(22(19)20)16-6-2-1-3-7-16/h1-4,6-7,9-12,17H,5,8,13,15H2,(H,26,29)/t17-/m0/s1
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n/an/a 64n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse FAP purified from HEK293 cell supernatant using Ala-Pro-p-nitroanilide as substrate by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Seprase


(Mus musculus)
BDBM50050513
PNG
((R)-1-((S)-2-amino-3-methylbutanoyl)pyrrolidin-2-y...)
Show SMILES CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O
Show InChI InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8-/m0/s1
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n/an/a 66n/an/an/an/an/an/a



University of Antwerp (UA)

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant FAP expressed in HEK293 cells assessed as pNA release from Ala-Pro-p-nitroanilide pre-incubated with enzyme for 15 mi...


Citation and Details
More data for this
Ligand-Target Pair
Seprase


(Mus musculus)
BDBM50050513
PNG
((R)-1-((S)-2-amino-3-methylbutanoyl)pyrrolidin-2-y...)
Show SMILES CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O
Show InChI InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8-/m0/s1
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n/an/a 66n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse FAP purified from HEK293 cell supernatant using Ala-Pro-p-nitroanilide as substrate by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Seprase


(Mus musculus)
BDBM50009332
PNG
(CHEMBL3233836)
Show SMILES O=C(CNC(=O)c1ccnc2cc(ccc12)-c1ccccc1)N1CCC[C@H]1C#N
Show InChI InChI=1S/C23H20N4O2/c24-14-18-7-4-12-27(18)22(28)15-26-23(29)20-10-11-25-21-13-17(8-9-19(20)21)16-5-2-1-3-6-16/h1-3,5-6,8-11,13,18H,4,7,12,15H2,(H,26,29)/t18-/m0/s1
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n/an/a 70n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse FAP purified from HEK293 cell supernatant using Ala-Pro-p-nitroanilide as substrate by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Seprase


(Mus musculus)
BDBM50050513
PNG
((R)-1-((S)-2-amino-3-methylbutanoyl)pyrrolidin-2-y...)
Show SMILES CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O
Show InChI InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8-/m0/s1
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TBA

Assay Description
Inhibition of mouse recombinant FAP expressed in HEK293 cells using Ala-Pro-p-nitroanilide as substrate incubated for 15 mins prior to substrate addi...


Citation and Details
More data for this
Ligand-Target Pair
Seprase


(Mus musculus)
BDBM50434191
PNG
(CHEMBL2385278)
Show SMILES O=C(CNC(=O)c1cccc2cnccc12)N1CCC[C@H]1C#N
Show InChI InChI=1S/C17H16N4O2/c18-9-13-4-2-8-21(13)16(22)11-20-17(23)15-5-1-3-12-10-19-7-6-14(12)15/h1,3,5-7,10,13H,2,4,8,11H2,(H,20,23)/t13-/m0/s1
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TBA

Assay Description
Inhibition of mouse recombinant FAP expressed in HEK293 cells using Ala-Pro-p-nitroanilide as substrate incubated for 15 mins prior to substrate addi...


Citation and Details
More data for this
Ligand-Target Pair
Seprase


(Mus musculus)
BDBM50382283
PNG
(CHEMBL2022530)
Show SMILES FC1(F)C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1cccc2ccccc12
Show InChI InChI=1S/C18H15F2N3O2/c19-18(20)8-13(9-21)23(11-18)16(24)10-22-17(25)15-7-3-5-12-4-1-2-6-14(12)15/h1-7,13H,8,10-11H2,(H,22,25)/t13-/m0/s1
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University of Antwerp (UA)

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant FAP expressed in HEK293 cells assessed as pNA release from Ala-Pro-p-nitroanilide pre-incubated with enzyme for 15 mi...


Citation and Details
More data for this
Ligand-Target Pair
Seprase


(Mus musculus)
BDBM50009336
PNG
(CHEMBL3233556)
Show SMILES Brc1cc(ccn1)C(=O)NCC(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C13H13BrN4O2/c14-11-6-9(3-4-16-11)13(20)17-8-12(19)18-5-1-2-10(18)7-15/h3-4,6,10H,1-2,5,8H2,(H,17,20)/t10-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse FAP purified from HEK293 cell supernatant using Ala-Pro-p-nitroanilide as substrate by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Seprase


(Mus musculus)
BDBM50382281
PNG
(CHEMBL2022528)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)CNC(=O)c1cccc2ccccc12
Show InChI InChI=1S/C18H16FN3O2/c19-13-8-14(9-20)22(11-13)17(23)10-21-18(24)16-7-3-5-12-4-1-2-6-15(12)16/h1-7,13-14H,8,10-11H2,(H,21,24)/t13-,14-/m0/s1
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n/an/a 126n/an/an/an/an/an/a



University of Antwerp (UA)

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant FAP expressed in HEK293 cells assessed as pNA release from Ala-Pro-p-nitroanilide pre-incubated with enzyme for 15 mi...


Citation and Details
More data for this
Ligand-Target Pair
Seprase


(Mus musculus)
BDBM50009337
PNG
(CHEMBL3233557)
Show SMILES Nc1cc(ccn1)C(=O)NCC(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C13H15N5O2/c14-7-10-2-1-5-18(10)12(19)8-17-13(20)9-3-4-16-11(15)6-9/h3-4,6,10H,1-2,5,8H2,(H2,15,16)(H,17,20)/t10-/m0/s1
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n/an/a 138n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse FAP purified from HEK293 cell supernatant using Ala-Pro-p-nitroanilide as substrate by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Seprase


(Mus musculus)
BDBM50434190
PNG
(CHEMBL2385279)
Show SMILES O=C(CNC(=O)c1cccc2ccncc12)N1CCC[C@H]1C#N
Show InChI InChI=1S/C17H16N4O2/c18-9-13-4-2-8-21(13)16(22)11-20-17(23)14-5-1-3-12-6-7-19-10-15(12)14/h1,3,5-7,10,13H,2,4,8,11H2,(H,20,23)/t13-/m0/s1
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TBA

Assay Description
Inhibition of mouse recombinant FAP expressed in HEK293 cells using Ala-Pro-p-nitroanilide as substrate incubated for 15 mins prior to substrate addi...


Citation and Details
More data for this
Ligand-Target Pair
Seprase


(Mus musculus)
BDBM50434171
PNG
(CHEMBL2385298)
Show SMILES Oc1cnc2ccccc2c1C(=O)NCC(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C17H16N4O3/c18-8-11-4-3-7-21(11)15(23)10-20-17(24)16-12-5-1-2-6-13(12)19-9-14(16)22/h1-2,5-6,9,11,22H,3-4,7,10H2,(H,20,24)/t11-/m0/s1
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TBA

Assay Description
Inhibition of mouse recombinant FAP expressed in HEK293 cells using Ala-Pro-p-nitroanilide as substrate incubated for 15 mins prior to substrate addi...


Citation and Details
More data for this
Ligand-Target Pair
Seprase


(Mus musculus)
BDBM50009344
PNG
(CHEMBL3233563)
Show SMILES O=C(CNC(=O)c1ccnnc1)N1CCC[C@H]1C#N
Show InChI InChI=1S/C12H13N5O2/c13-6-10-2-1-5-17(10)11(18)8-14-12(19)9-3-4-15-16-7-9/h3-4,7,10H,1-2,5,8H2,(H,14,19)/t10-/m0/s1
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n/an/a 164n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse FAP purified from HEK293 cell supernatant using Ala-Pro-p-nitroanilide as substrate by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Seprase


(Mus musculus)
BDBM50009372
PNG
(CHEMBL3233848)
Show SMILES ClCC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccnc2ccccc12
Show InChI InChI=1S/C18H18ClN3O3/c19-10-16(23)15-6-3-9-22(15)17(24)11-21-18(25)13-7-8-20-14-5-2-1-4-12(13)14/h1-2,4-5,7-8,15H,3,6,9-11H2,(H,21,25)/t15-/m0/s1
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n/an/a 177n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse FAP purified from HEK293 cell supernatant using Ala-Pro-p-nitroanilide as substrate by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Seprase


(Mus musculus)
BDBM50434162
PNG
(CHEMBL2385274)
Show SMILES Clc1cccc2c(ccnc12)C(=O)NCC(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C17H15ClN4O2/c18-14-5-1-4-12-13(6-7-20-16(12)14)17(24)21-10-15(23)22-8-2-3-11(22)9-19/h1,4-7,11H,2-3,8,10H2,(H,21,24)/t11-/m0/s1
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TBA

Assay Description
Inhibition of mouse recombinant FAP expressed in HEK293 cells using Ala-Pro-p-nitroanilide as substrate incubated for 15 mins prior to substrate addi...


Citation and Details
More data for this
Ligand-Target Pair
Seprase


(Mus musculus)
BDBM50009356
PNG
(CHEMBL3233574)
Show SMILES COc1ccc(cc1)-c1nc2c(ccnc2[nH]1)C(=O)NCC(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C21H20N6O3/c1-30-15-6-4-13(5-7-15)19-25-18-16(8-9-23-20(18)26-19)21(29)24-12-17(28)27-10-2-3-14(27)11-22/h4-9,14H,2-3,10,12H2,1H3,(H,24,29)(H,23,25,26)/t14-/m0/s1
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n/an/a<200n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse FAP purified from HEK293 cell supernatant using Ala-Pro-p-nitroanilide as substrate by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Seprase


(Mus musculus)
BDBM50009354
PNG
(CHEMBL3233573)
Show SMILES Fc1ccc(cc1)-c1nc2c(ccnc2[nH]1)C(=O)NCC(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C20H17FN6O2/c21-13-5-3-12(4-6-13)18-25-17-15(7-8-23-19(17)26-18)20(29)24-11-16(28)27-9-1-2-14(27)10-22/h3-8,14H,1-2,9,11H2,(H,24,29)(H,23,25,26)/t14-/m0/s1
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University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse FAP purified from HEK293 cell supernatant using Ala-Pro-p-nitroanilide as substrate by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Seprase


(Mus musculus)
BDBM50009340
PNG
(CHEMBL3233559)
Show SMILES COc1ccc(cc1OC)-c1cc(ccn1)C(=O)NCC(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C21H22N4O4/c1-28-18-6-5-14(11-19(18)29-2)17-10-15(7-8-23-17)21(27)24-13-20(26)25-9-3-4-16(25)12-22/h5-8,10-11,16H,3-4,9,13H2,1-2H3,(H,24,27)/t16-/m0/s1
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n/an/a 220n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse FAP purified from HEK293 cell supernatant using Ala-Pro-p-nitroanilide as substrate by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Seprase


(Mus musculus)
BDBM50009341
PNG
(CHEMBL3233560)
Show SMILES O=C(CNC(=O)c1ccnc(c1)-c1ccc(cc1)C#N)N1CCC[C@H]1C#N
Show InChI InChI=1S/C20H17N5O2/c21-11-14-3-5-15(6-4-14)18-10-16(7-8-23-18)20(27)24-13-19(26)25-9-1-2-17(25)12-22/h3-8,10,17H,1-2,9,13H2,(H,24,27)/t17-/m0/s1
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n/an/a 270n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse FAP purified from HEK293 cell supernatant using Ala-Pro-p-nitroanilide as substrate by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Seprase


(Mus musculus)
BDBM50009339
PNG
(CHEMBL3233558)
Show SMILES O=C(CNC(=O)c1ccnc(c1)-c1ccccc1)N1CCC[C@H]1C#N
Show InChI InChI=1S/C19H18N4O2/c20-12-16-7-4-10-23(16)18(24)13-22-19(25)15-8-9-21-17(11-15)14-5-2-1-3-6-14/h1-3,5-6,8-9,11,16H,4,7,10,13H2,(H,22,25)/t16-/m0/s1
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n/an/a 290n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse FAP purified from HEK293 cell supernatant using Ala-Pro-p-nitroanilide as substrate by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Seprase


(Mus musculus)
BDBM50228403
PNG
((R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-met...)
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(C)c4ccccc4n3)c(=O)c12)N1CCC[C@@H](N)C1
Show InChI InChI=1S/C25H28N8O2/c1-4-5-13-32-21-22(29-24(32)31-12-8-9-17(26)14-31)30(3)25(35)33(23(21)34)15-20-27-16(2)18-10-6-7-11-19(18)28-20/h6-7,10-11,17H,8-9,12-15,26H2,1-3H3/t17-/m1/s1
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n/an/a 370n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse FAP purified from HEK293 cell supernatant using Ala-Pro-p-nitroanilide as substrate by spectrophotometry


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More data for this
Ligand-Target Pair
Seprase


(Mus musculus)
BDBM50434161
PNG
(CHEMBL2385275)
Show SMILES Brc1cccc2c(ccnc12)C(=O)NCC(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C17H15BrN4O2/c18-14-5-1-4-12-13(6-7-20-16(12)14)17(24)21-10-15(23)22-8-2-3-11(22)9-19/h1,4-7,11H,2-3,8,10H2,(H,21,24)/t11-/m0/s1
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n/an/a 370n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mouse recombinant FAP expressed in HEK293 cells using Ala-Pro-p-nitroanilide as substrate incubated for 15 mins prior to substrate addi...


Citation and Details
More data for this
Ligand-Target Pair
Seprase


(Mus musculus)
BDBM50228403
PNG
((R)-8-(3-aminopiperidin-1-yl)-7-(but-2-ynyl)-3-met...)
Show SMILES CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(C)c4ccccc4n3)c(=O)c12)N1CCC[C@@H](N)C1
Show InChI InChI=1S/C25H28N8O2/c1-4-5-13-32-21-22(29-24(32)31-12-8-9-17(26)14-31)30(3)25(35)33(23(21)34)15-20-27-16(2)18-10-6-7-11-19(18)28-20/h6-7,10-11,17H,8-9,12-15,26H2,1-3H3/t17-/m1/s1
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n/an/a 370n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mouse recombinant FAP expressed in HEK293 cells using Ala-Pro-p-nitroanilide as substrate incubated for 15 mins prior to substrate addi...


Citation and Details
More data for this
Ligand-Target Pair
Seprase


(Mus musculus)
BDBM50434159
PNG
(CHEMBL2385277)
Show SMILES O=C(CNC(=O)c1cccc2ncccc12)N1CCC[C@H]1C#N
Show InChI InChI=1S/C17H16N4O2/c18-10-12-4-3-9-21(12)16(22)11-20-17(23)14-5-1-7-15-13(14)6-2-8-19-15/h1-2,5-8,12H,3-4,9,11H2,(H,20,23)/t12-/m0/s1
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n/an/a 420n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mouse recombinant FAP expressed in HEK293 cells using Ala-Pro-p-nitroanilide as substrate incubated for 15 mins prior to substrate addi...


Citation and Details
More data for this
Ligand-Target Pair
Seprase


(Mus musculus)
BDBM50434176
PNG
(CHEMBL2385293)
Show SMILES Cc1cc(C(=O)NCC(=O)N2CCC[C@H]2C#N)c2ccccc2n1
Show InChI InChI=1S/C18H18N4O2/c1-12-9-15(14-6-2-3-7-16(14)21-12)18(24)20-11-17(23)22-8-4-5-13(22)10-19/h2-3,6-7,9,13H,4-5,8,11H2,1H3,(H,20,24)/t13-/m0/s1
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n/an/a 670n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mouse recombinant FAP expressed in HEK293 cells using Ala-Pro-p-nitroanilide as substrate incubated for 15 mins prior to substrate addi...


Citation and Details
More data for this
Ligand-Target Pair
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