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Compile Data Set for Download or QSAR

Found 441 hits Enz. Inhib. hit(s) with Target = 'Fibroblast activation protein alpha' 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
Fibroblast activation protein alpha


(Homo sapiens (Human))
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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1.30n/an/an/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant FAP expressed in Hi5 insect cells by Lineweaver-Burke plot analysis


Citation and Details
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50200723
PNG
((R)-1-(2-(1-oxoisoindolin-2-yl)acetyl)pyrrolidin-2...)
Show SMILES OB(O)[C@@H]1CCCN1C(=O)CN1Cc2ccccc2C1=O
Show InChI InChI=1S/C14H17BN2O4/c18-13(17-7-3-6-12(17)15(20)21)9-16-8-10-4-1-2-5-11(10)14(16)19/h1-2,4-5,12,20-21H,3,6-9H2/t12-/m0/s1
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7.5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibitiory constant against FAP


Citation and Details
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50326373
PNG
((R)-1-(2-(1-naphthamido)acetyl)pyrrolidin-2-ylboro...)
Show SMILES OB(O)[C@@H]1CCCN1C(=O)CNC(=O)c1cccc2ccccc12
Show InChI InChI=1S/C17H19BN2O4/c21-16(20-10-4-9-15(20)18(23)24)11-19-17(22)14-8-3-6-12-5-1-2-7-13(12)14/h1-3,5-8,15,23-24H,4,9-11H2,(H,19,22)/t15-/m0/s1
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7.90n/an/an/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant FAP expressed in Hi5 insect cells by Lineweaver-Burke plot analysis


Citation and Details
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
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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9n/an/an/an/an/an/an/an/a



Tufts University Sackler School of Biomedical Sciences

Curated by ChEMBL


Assay Description
Competitive inhibition of human FAP using Suc-GP-AMC as substrate by Lineweaver-Burk plot analysis


Citation and Details
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50200720
PNG
((R)-1-(2-(2,6-dichlorobenzamido)acetyl)pyrrolidin-...)
Show SMILES OB(O)[C@@H]1CCCN1C(=O)CNC(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C13H15BCl2N2O4/c15-8-3-1-4-9(16)12(8)13(20)17-7-11(19)18-6-2-5-10(18)14(21)22/h1,3-4,10,21-22H,2,5-7H2,(H,17,20)/t10-/m0/s1
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12n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibitiory constant against FAP


Citation and Details
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50200721
PNG
((R)-1-(2-(cyclohexanecarboxamido)acetyl)pyrrolidin...)
Show SMILES OB(O)[C@@H]1CCCN1C(=O)CNC(=O)C1CCCCC1
Show InChI InChI=1S/C13H23BN2O4/c17-12(16-8-4-7-11(16)14(19)20)9-15-13(18)10-5-2-1-3-6-10/h10-11,19-20H,1-9H2,(H,15,18)/t11-/m0/s1
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14n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibitiory constant against FAP


Citation and Details
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50200726
PNG
((R)-1-(2-(cyclopentanecarboxamido)acetyl)pyrrolidi...)
Show SMILES OB(O)[C@@H]1CCCN1C(=O)CNC(=O)C1CCCC1
Show InChI InChI=1S/C12H21BN2O4/c16-11(15-7-3-6-10(15)13(18)19)8-14-12(17)9-4-1-2-5-9/h9-10,18-19H,1-8H2,(H,14,17)/t10-/m0/s1
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20n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibitiory constant against FAP


Citation and Details
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50200730
PNG
((R)-1-(2-acetamidoacetyl)pyrrolidin-2-ylboronic ac...)
Show SMILES CC(=O)NCC(=O)N1CCC[C@H]1B(O)O
Show InChI InChI=1S/C8H15BN2O4/c1-6(12)10-5-8(13)11-4-2-3-7(11)9(14)15/h7,14-15H,2-5H2,1H3,(H,10,12)/t7-/m0/s1
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23n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibitiory constant against FAP


Citation and Details
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50200730
PNG
((R)-1-(2-acetamidoacetyl)pyrrolidin-2-ylboronic ac...)
Show SMILES CC(=O)NCC(=O)N1CCC[C@H]1B(O)O
Show InChI InChI=1S/C8H15BN2O4/c1-6(12)10-5-8(13)11-4-2-3-7(11)9(14)15/h7,14-15H,2-5H2,1H3,(H,10,12)/t7-/m0/s1
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23n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of recombinant FAPalpha


Citation and Details
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50200729
PNG
((R)-1-(2-(2,5-dichlorobenzamido)acetyl)pyrrolidin-...)
Show SMILES OB(O)[C@@H]1CCCN1C(=O)CNC(=O)c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C13H15BCl2N2O4/c15-8-3-4-10(16)9(6-8)13(20)17-7-12(19)18-5-1-2-11(18)14(21)22/h3-4,6,11,21-22H,1-2,5,7H2,(H,17,20)/t11-/m0/s1
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29n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibitiory constant against FAP


Citation and Details
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50200729
PNG
((R)-1-(2-(2,5-dichlorobenzamido)acetyl)pyrrolidin-...)
Show SMILES OB(O)[C@@H]1CCCN1C(=O)CNC(=O)c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C13H15BCl2N2O4/c15-8-3-4-10(16)9(6-8)13(20)17-7-12(19)18-5-1-2-11(18)14(21)22/h3-4,6,11,21-22H,1-2,5,7H2,(H,17,20)/t11-/m0/s1
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29n/an/an/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of recombinant FAPalpha


Citation and Details
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50200732
PNG
((R)-1-(2-isobutyramidoacetyl)pyrrolidin-2-ylboroni...)
Show SMILES CC(C)C(=O)NCC(=O)N1CCC[C@H]1B(O)O
Show InChI InChI=1S/C10H19BN2O4/c1-7(2)10(15)12-6-9(14)13-5-3-4-8(13)11(16)17/h7-8,16-17H,3-6H2,1-2H3,(H,12,15)/t8-/m0/s1
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51n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibitiory constant against FAP


Citation and Details
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50200728
PNG
((R)-1-(4-oxo-4-phenylbutanoyl)pyrrolidin-2-ylboron...)
Show SMILES OB(O)[C@@H]1CCCN1C(=O)CCC(=O)c1ccccc1
Show InChI InChI=1S/C14H18BNO4/c17-12(11-5-2-1-3-6-11)8-9-14(18)16-10-4-7-13(16)15(19)20/h1-3,5-6,13,19-20H,4,7-10H2/t13-/m0/s1
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94n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibitiory constant against FAP


Citation and Details
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50200727
PNG
((R)-1-(2-benzamidoacetyl)pyrrolidin-2-ylboronic ac...)
Show SMILES OB(O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccccc1
Show InChI InChI=1S/C13H17BN2O4/c17-12(16-8-4-7-11(16)14(19)20)9-15-13(18)10-5-2-1-3-6-10/h1-3,5-6,11,19-20H,4,7-9H2,(H,15,18)/t11-/m0/s1
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142n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibitiory constant against FAP


Citation and Details
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50200724
PNG
((2R)-1-(2-(N-methyl-5-oxopyrrolidine-2-carboxamido...)
Show SMILES CN(CC(=O)N1CCC[C@H]1B(O)O)C(=O)C1CCC(=O)N1
Show InChI InChI=1S/C12H20BN3O5/c1-15(12(19)8-4-5-10(17)14-8)7-11(18)16-6-2-3-9(16)13(20)21/h8-9,20-21H,2-7H2,1H3,(H,14,17)/t8?,9-/m0/s1
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146n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibitiory constant against FAP


Citation and Details
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50200736
PNG
((R)-1-(2-(N-methylacetamido)acetyl)pyrrolidin-2-yl...)
Show SMILES CN(CC(=O)N1CCC[C@H]1B(O)O)C(C)=O
Show InChI InChI=1S/C9H17BN2O4/c1-7(13)11(2)6-9(14)12-5-3-4-8(12)10(15)16/h8,15-16H,3-6H2,1-2H3/t8-/m0/s1
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161n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibitiory constant against FAP


Citation and Details
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50200725
PNG
((R)-1-(2-(N-methylbenzamido)acetyl)pyrrolidin-2-yl...)
Show SMILES CN(CC(=O)N1CCC[C@H]1B(O)O)C(=O)c1ccccc1
Show InChI InChI=1S/C14H19BN2O4/c1-16(14(19)11-6-3-2-4-7-11)10-13(18)17-9-5-8-12(17)15(20)21/h2-4,6-7,12,20-21H,5,8-10H2,1H3/t12-/m0/s1
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191n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibitiory constant against FAP


Citation and Details
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50200735
PNG
((R)-1-(2-(methylsulfonamido)acetyl)pyrrolidin-2-yl...)
Show SMILES CS(=O)(=O)NCC(=O)N1CCC[C@H]1B(O)O
Show InChI InChI=1S/C7H15BN2O5S/c1-16(14,15)9-5-7(11)10-4-2-3-6(10)8(12)13/h6,9,12-13H,2-5H2,1H3/t6-/m0/s1
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246n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibitiory constant against FAP


Citation and Details
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50200733
PNG
((R)-1-(2-(N-methylisobutyramido)acetyl)pyrrolidin-...)
Show SMILES CC(C)C(=O)N(C)CC(=O)N1CCC[C@H]1B(O)O
Show InChI InChI=1S/C11H21BN2O4/c1-8(2)11(16)13(3)7-10(15)14-6-4-5-9(14)12(17)18/h8-9,17-18H,4-7H2,1-3H3/t9-/m0/s1
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265n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibitiory constant against FAP


Citation and Details
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50200734
PNG
((R)-1-((R)-2-acetamidopropanoyl)pyrrolidin-2-ylbor...)
Show SMILES C[C@@H](NC(C)=O)C(=O)N1CCC[C@H]1B(O)O
Show InChI InChI=1S/C9H17BN2O4/c1-6(11-7(2)13)9(14)12-5-3-4-8(12)10(15)16/h6,8,15-16H,3-5H2,1-2H3,(H,11,13)/t6-,8+/m1/s1
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350n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibitiory constant against FAP


Citation and Details
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50200722
PNG
((R)-1-(2-pivalamidoacetyl)pyrrolidin-2-ylboronic a...)
Show SMILES CC(C)(C)C(=O)NCC(=O)N1CCC[C@H]1B(O)O
Show InChI InChI=1S/C11H21BN2O4/c1-11(2,3)10(16)13-7-9(15)14-6-4-5-8(14)12(17)18/h8,17-18H,4-7H2,1-3H3,(H,13,16)/t8-/m0/s1
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751n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibitiory constant against FAP


Citation and Details
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50173971
PNG
(CHEMBL427193 | N-(((R)-3-amino-4-((2S,4S)-2-cyano-...)
Show SMILES CC(=O)NCSC(C)(C)[C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N
Show InChI InChI=1S/C13H21FN4O2S/c1-8(19)17-7-21-13(2,3)11(16)12(20)18-6-9(14)4-10(18)5-15/h9-11H,4,6-7,16H2,1-3H3,(H,17,19)/t9-,10-,11+/m0/s1
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1.28E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant seprase


Citation and Details
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50200731
PNG
((R)-1-(2-(2-oxopyridin-1(2H)-yl)acetyl)pyrrolidin-...)
Show SMILES OB(O)[C@@H]1CCCN1C(=O)Cn1ccccc1=O
Show InChI InChI=1S/C11H15BN2O4/c15-10-5-1-2-6-13(10)8-11(16)14-7-3-4-9(14)12(17)18/h1-2,5-6,9,17-18H,3-4,7-8H2/t9-/m0/s1
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2.90E+3n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibitiory constant against FAP


Citation and Details
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50173967
PNG
((2S,4S)-1-((R)-2-amino-3-((5-chlorobenzo[b]thiophe...)
Show SMILES CC(C)([C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N)S(=O)(=O)Cc1csc2ccc(Cl)cc12
Show InChI InChI=1S/C19H21ClFN3O3S2/c1-19(2,17(23)18(25)24-8-13(21)6-14(24)7-22)29(26,27)10-11-9-28-16-4-3-12(20)5-15(11)16/h3-5,9,13-14,17H,6,8,10,23H2,1-2H3/t13-,14-,17+/m0/s1
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5.16E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant seprase


Citation and Details
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50173984
PNG
((2S,4S)-1-((R)-3-(3-phenoxybenzylsulfonyl)-2-amino...)
Show SMILES CC(C)([C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N)S(=O)(=O)Cc1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C23H26FN3O4S/c1-23(2,21(26)22(28)27-14-17(24)12-18(27)13-25)32(29,30)15-16-7-6-10-20(11-16)31-19-8-4-3-5-9-19/h3-11,17-18,21H,12,14-15,26H2,1-2H3/t17-,18-,21+/m0/s1
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6.86E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant seprase


Citation and Details
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50173973
PNG
(CHEMBL201053 | N-(4-(((R)-3-amino-4-((2S,4S)-2-cya...)
Show SMILES CC(=O)Nc1ccc(CS(=O)(=O)C(C)(C)[C@H](N)C(=O)N2C[C@@H](F)C[C@H]2C#N)cc1
Show InChI InChI=1S/C19H25FN4O4S/c1-12(25)23-15-6-4-13(5-7-15)11-29(27,28)19(2,3)17(22)18(26)24-10-14(20)8-16(24)9-21/h4-7,14,16-17H,8,10-11,22H2,1-3H3,(H,23,25)/t14-,16-,17+/m0/s1
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7.93E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant seprase


Citation and Details
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50173978
PNG
((2S,4S)-1-((R)-3-(4-cyanobenzylsulfonyl)-2-amino-3...)
Show SMILES CC(C)([C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N)S(=O)(=O)Cc1ccc(cc1)C#N
Show InChI InChI=1S/C18H21FN4O3S/c1-18(2,16(22)17(24)23-10-14(19)7-15(23)9-21)27(25,26)11-13-5-3-12(8-20)4-6-13/h3-6,14-16H,7,10-11,22H2,1-2H3/t14-,15-,16+/m0/s1
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9.45E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant seprase


Citation and Details
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50173958
PNG
((2S,4S)-1-((R)-2-amino-3-methyl-3-(pyridin-4-ylmet...)
Show SMILES CC(C)(SCc1ccncc1)[C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N
Show InChI InChI=1S/C16H21FN4OS/c1-16(2,23-10-11-3-5-20-6-4-11)14(19)15(22)21-9-12(17)7-13(21)8-18/h3-6,12-14H,7,9-10,19H2,1-2H3/t12-,13-,14+/m0/s1
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9.66E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant seprase


Citation and Details
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50173980
PNG
((2S,4S)-1-[(R)-2-amino-3-(biphenyl-4-ylmethanesulf...)
Show SMILES CC(C)([C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N)S(=O)(=O)Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H26FN3O3S/c1-23(2,21(26)22(28)27-14-19(24)12-20(27)13-25)31(29,30)15-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,19-21H,12,14-15,26H2,1-2H3/t19-,20-,21+/m0/s1
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9.66E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant seprase


Citation and Details
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50173983
PNG
((2S,4S)-1-((R)-2-amino-3-methyl-3-(3-phenylpropylt...)
Show SMILES CC(C)(SCCCc1ccccc1)[C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N
Show InChI InChI=1S/C19H26FN3OS/c1-19(2,25-10-6-9-14-7-4-3-5-8-14)17(22)18(24)23-13-15(20)11-16(23)12-21/h3-5,7-8,15-17H,6,9-11,13,22H2,1-2H3/t15-,16-,17+/m0/s1
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1.22E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant seprase


Citation and Details
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50173975
PNG
((2S,4S)-1-((R)-3-(2-methoxybenzylsulfonyl)-2-amino...)
Show SMILES COc1ccccc1CS(=O)(=O)C(C)(C)[C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N
Show InChI InChI=1S/C18H24FN3O4S/c1-18(2,16(21)17(23)22-10-13(19)8-14(22)9-20)27(24,25)11-12-6-4-5-7-15(12)26-3/h4-7,13-14,16H,8,10-11,21H2,1-3H3/t13-,14-,16+/m0/s1
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1.24E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant seprase


Citation and Details
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50173961
PNG
((2S,4S)-1-((R)-3-(3-phenoxybenzylthio)-2-amino-3-m...)
Show SMILES CC(C)(SCc1cccc(Oc2ccccc2)c1)[C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N
Show InChI InChI=1S/C23H26FN3O2S/c1-23(2,21(26)22(28)27-14-17(24)12-18(27)13-25)30-15-16-7-6-10-20(11-16)29-19-8-4-3-5-9-19/h3-11,17-18,21H,12,14-15,26H2,1-2H3/t17-,18-,21+/m0/s1
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1.28E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant seprase


Citation and Details
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50173968
PNG
((R)-3-amino-4-((2S,4S)-2-cyano-4-fluoropyrrolidin-...)
Show SMILES CC(C)([C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N)S(O)(=O)=O
Show InChI InChI=1S/C10H16FN3O4S/c1-10(2,19(16,17)18)8(13)9(15)14-5-6(11)3-7(14)4-12/h6-8H,3,5,13H2,1-2H3,(H,16,17,18)/t6-,7-,8+/m0/s1
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1.46E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant seprase


Citation and Details
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50173977
PNG
((2S,4S)-1-((R)-2-amino-3-(3-(4-fluorophenyl)propyl...)
Show SMILES CC(C)(SCCCc1ccc(F)cc1)[C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N
Show InChI InChI=1S/C19H25F2N3OS/c1-19(2,26-9-3-4-13-5-7-14(20)8-6-13)17(23)18(25)24-12-15(21)10-16(24)11-22/h5-8,15-17H,3-4,9-10,12,23H2,1-2H3/t15-,16-,17+/m0/s1
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1.58E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant seprase


Citation and Details
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50173970
PNG
((2S,4S)-1-((R)-3-(3-methoxybenzylsulfonyl)-2-amino...)
Show SMILES COc1cccc(CS(=O)(=O)C(C)(C)[C@H](N)C(=O)N2C[C@@H](F)C[C@H]2C#N)c1
Show InChI InChI=1S/C18H24FN3O4S/c1-18(2,16(21)17(23)22-10-13(19)8-14(22)9-20)27(24,25)11-12-5-4-6-15(7-12)26-3/h4-7,13-14,16H,8,10-11,21H2,1-3H3/t13-,14-,16+/m0/s1
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1.70E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant seprase


Citation and Details
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50173960
PNG
((2S,4S)-1-((R)-2-amino-3-methyl-3-(pyridin-2-ylmet...)
Show SMILES CC(C)(SCc1ccccn1)[C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N
Show InChI InChI=1S/C16H21FN4OS/c1-16(2,23-10-12-5-3-4-6-20-12)14(19)15(22)21-9-11(17)7-13(21)8-18/h3-6,11,13-14H,7,9-10,19H2,1-2H3/t11-,13-,14+/m0/s1
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1.91E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant seprase


Citation and Details
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50173969
PNG
((2S,4S)-1-((R)-3-(4-(benzyloxy)benzylsulfonyl)-2-a...)
Show SMILES CC(C)([C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N)S(=O)(=O)Cc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C24H28FN3O4S/c1-24(2,22(27)23(29)28-14-19(25)12-20(28)13-26)33(30,31)16-18-8-10-21(11-9-18)32-15-17-6-4-3-5-7-17/h3-11,19-20,22H,12,14-16,27H2,1-2H3/t19-,20-,22+/m0/s1
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2.04E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant seprase


Citation and Details
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50173957
PNG
((2S,4S)-1-((R)-3-(4-methoxybenzylsulfinyl)-2-amino...)
Show SMILES COc1ccc(CS(=O)C(C)(C)[C@H](N)C(=O)N2C[C@@H](F)C[C@H]2C#N)cc1
Show InChI InChI=1S/C18H24FN3O3S/c1-18(2,26(24)11-12-4-6-15(25-3)7-5-12)16(21)17(23)22-10-13(19)8-14(22)9-20/h4-7,13-14,16H,8,10-11,21H2,1-3H3/t13-,14-,16+,26?/m0/s1
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>2.34E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant seprase


Citation and Details
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50173974
PNG
((2S,4S)-1-((R)-2-amino-3-methyl-3-p-tolylmethanesu...)
Show SMILES Cc1ccc(CS(=O)(=O)C(C)(C)[C@H](N)C(=O)N2C[C@@H](F)C[C@H]2C#N)cc1
Show InChI InChI=1S/C18H24FN3O3S/c1-12-4-6-13(7-5-12)11-26(24,25)18(2,3)16(21)17(23)22-10-14(19)8-15(22)9-20/h4-7,14-16H,8,10-11,21H2,1-3H3/t14-,15-,16+/m0/s1
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>2.34E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant seprase


Citation and Details
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50173963
PNG
((2S,4S)-1-((R)-2-amino-3-(4-methoxybenzylsulfonyl)...)
Show SMILES COc1ccc(CS(=O)(=O)C(C)(C)[C@H](N)C(=O)N2C[C@@H](F)C[C@H]2C#N)cc1
Show InChI InChI=1S/C18H24FN3O4S/c1-18(2,16(21)17(23)22-10-13(19)8-14(22)9-20)27(24,25)11-12-4-6-15(26-3)7-5-12/h4-7,13-14,16H,8,10-11,21H2,1-3H3/t13-,14-,16+/m0/s1
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>2.34E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant seprase


Citation and Details
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50173966
PNG
((2S,4S)-1-((R)-2-amino-3-(benzylsulfonyl)-3-methyl...)
Show SMILES CC(C)([C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C17H22FN3O3S/c1-17(2,25(23,24)11-12-6-4-3-5-7-12)15(20)16(22)21-10-13(18)8-14(21)9-19/h3-7,13-15H,8,10-11,20H2,1-2H3/t13-,14-,15+/m0/s1
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>2.34E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant seprase


Citation and Details
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50173982
PNG
((2S,4S)-1-((R)-2-amino-3-methyl-3-(pyridin-4-ylmet...)
Show SMILES CC(C)([C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N)S(=O)(=O)Cc1ccncc1
Show InChI InChI=1S/C16H21FN4O3S/c1-16(2,25(23,24)10-11-3-5-20-6-4-11)14(19)15(22)21-9-12(17)7-13(21)8-18/h3-6,12-14H,7,9-10,19H2,1-2H3/t12-,13-,14+/m0/s1
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>2.34E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant seprase


Citation and Details
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50173976
PNG
((2S,4S)-1-((R)-2-amino-3-methyl-3-(pyridin-3-ylmet...)
Show SMILES CC(C)(SCc1cccnc1)[C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N
Show InChI InChI=1S/C16H21FN4OS/c1-16(2,23-10-11-4-3-5-20-8-11)14(19)15(22)21-9-12(17)6-13(21)7-18/h3-5,8,12-14H,6,9-10,19H2,1-2H3/t12-,13-,14+/m0/s1
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>2.34E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant seprase


Citation and Details
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50173981
PNG
((2S,4S)-1-((R)-3-(4-methoxybenzylthio)-2-amino-3-m...)
Show SMILES COc1ccc(CSC(C)(C)[C@H](N)C(=O)N2C[C@@H](F)C[C@H]2C#N)cc1
Show InChI InChI=1S/C18H24FN3O2S/c1-18(2,25-11-12-4-6-15(24-3)7-5-12)16(21)17(23)22-10-13(19)8-14(22)9-20/h4-7,13-14,16H,8,10-11,21H2,1-3H3/t13-,14-,16+/m0/s1
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>2.34E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant seprase


Citation and Details
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50173965
PNG
((2S,4S)-1-((R)-3-(4-(methylsulfonyl)benzylsulfonyl...)
Show SMILES CC(C)([C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N)S(=O)(=O)Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H24FN3O5S2/c1-18(2,16(21)17(23)22-10-13(19)8-14(22)9-20)29(26,27)11-12-4-6-15(7-5-12)28(3,24)25/h4-7,13-14,16H,8,10-11,21H2,1-3H3/t13-,14-,16+/m0/s1
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>2.34E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant seprase


Citation and Details
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50173962
PNG
((2S,4S)-1-((R)-2-amino-3-methyl-3-(3-phenylpropyls...)
Show SMILES CC(C)([C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N)S(=O)(=O)CCCc1ccccc1
Show InChI InChI=1S/C19H26FN3O3S/c1-19(2,17(22)18(24)23-13-15(20)11-16(23)12-21)27(25,26)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,15-17H,6,9-11,13,22H2,1-2H3/t15-,16-,17+/m0/s1
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>2.34E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant seprase


Citation and Details
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50173964
PNG
((2S,4S)-1-((R)-3-(4-fluorobenzylsulfonyl)-2-amino-...)
Show SMILES CC(C)([C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N)S(=O)(=O)Cc1ccc(F)cc1
Show InChI InChI=1S/C17H21F2N3O3S/c1-17(2,26(24,25)10-11-3-5-12(18)6-4-11)15(21)16(23)22-9-13(19)7-14(22)8-20/h3-6,13-15H,7,9-10,21H2,1-2H3/t13-,14-,15+/m0/s1
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>2.34E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant seprase


Citation and Details
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50173979
PNG
((2S,4S)-1-((R)-2-amino-3-methyl-3-(phenethylthio)b...)
Show SMILES CC(C)(SCCc1ccccc1)[C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N
Show InChI InChI=1S/C18H24FN3OS/c1-18(2,24-9-8-13-6-4-3-5-7-13)16(21)17(23)22-12-14(19)10-15(22)11-20/h3-7,14-16H,8-10,12,21H2,1-2H3/t14-,15-,16+/m0/s1
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>2.34E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant seprase


Citation and Details
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50173972
PNG
((2S,4S)-1-((R)-3-(4-(trifluoromethyl)benzylthio)-2...)
Show SMILES CC(C)(SCc1ccc(cc1)C(F)(F)F)[C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N
Show InChI InChI=1S/C18H21F4N3OS/c1-17(2,15(24)16(26)25-9-13(19)7-14(25)8-23)27-10-11-3-5-12(6-4-11)18(20,21)22/h3-6,13-15H,7,9-10,24H2,1-2H3/t13-,14-,15+/m0/s1
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>2.34E+4n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant seprase


Citation and Details
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50338518
PNG
(1-((3S,4S)-4-amino-1-(4-(3,3-difluoropyrrolidin-1-...)
Show SMILES N[C@H]1CN(C[C@@H]1N1CC(F)(F)CCC1=O)c1ncnc(n1)N1CCC(F)(F)C1
Show InChI InChI=1S/C16H21F4N7O/c17-15(18)2-1-12(28)27(8-15)11-6-26(5-10(11)21)14-23-9-22-13(24-14)25-4-3-16(19,20)7-25/h9-11H,1-8,21H2/t10-,11-/m0/s1
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>3.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of FAP


Citation and Details
More data for this
Ligand-Target Pair
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