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Compile Data Set for Download or QSAR

Found 402 hits of ic50 data for polymerid = 5699   
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
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50431243
PNG
(CHEMBL2333025)
Show SMILES OB(O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccncc1
Show InChI InChI=1S/C12H16BN3O4/c17-11(16-7-1-2-10(16)13(19)20)8-15-12(18)9-3-5-14-6-4-9/h3-6,10,19-20H,1-2,7-8H2,(H,15,18)/t10-/m0/s1
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n/an/a 0.470n/an/an/an/an/an/a



Tufts University Sackler School of Biomedical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human FAP using Z-Gly-Pro-AMC as substrate preincubated for 10 mins prior to substrate addition by fluorescence assay


J Med Chem 56: 3467-77 (2013)


Article DOI: 10.1021/jm400351a
BindingDB Entry DOI: 10.7270/Q2C53N7W
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50431228
PNG
(CHEMBL2333023)
Show SMILES OB(O)[C@@H]1CCCN1C(=O)CNC(=O)c1cccnc1
Show InChI InChI=1S/C12H16BN3O4/c17-11(16-6-2-4-10(16)13(19)20)8-15-12(18)9-3-1-5-14-7-9/h1,3,5,7,10,19-20H,2,4,6,8H2,(H,15,18)/t10-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Tufts University Sackler School of Biomedical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human FAP using Z-Gly-Pro-AMC as substrate preincubated for 10 mins prior to substrate addition by fluorescence assay


J Med Chem 56: 3467-77 (2013)


Article DOI: 10.1021/jm400351a
BindingDB Entry DOI: 10.7270/Q2C53N7W
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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n/an/a 2.30n/an/an/an/an/an/a



Tufts University Sackler School of Biomedical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human FAP using Z-Gly-Pro-AMC as substrate preincubated for 10 mins prior to substrate addition by fluorescence assay


J Med Chem 56: 3467-77 (2013)


Article DOI: 10.1021/jm400351a
BindingDB Entry DOI: 10.7270/Q2C53N7W
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50431238
PNG
(CHEMBL2333030)
Show SMILES C[C@@H](NC(=O)c1ccncc1Cl)C(=O)N1CCC[C@H]1B(O)O
Show InChI InChI=1S/C13H17BClN3O4/c1-8(13(20)18-6-2-3-11(18)14(21)22)17-12(19)9-4-5-16-7-10(9)15/h4-5,7-8,11,21-22H,2-3,6H2,1H3,(H,17,19)/t8-,11+/m1/s1
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n/an/a 3.40n/an/an/an/an/an/a



Tufts University Sackler School of Biomedical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human FAP using Z-Gly-Pro-AMC as substrate preincubated for 10 mins prior to substrate addition by fluorescence assay


J Med Chem 56: 3467-77 (2013)


Article DOI: 10.1021/jm400351a
BindingDB Entry DOI: 10.7270/Q2C53N7W
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50171647
PNG
(CHEMBL373269 | N-alkyl Gly-boro-Pro derivative)
Show SMILES OB(O)[C@H]1CCCN1C(=O)CNC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C16H27BN2O3/c20-15(19-3-1-2-14(19)17(21)22)10-18-16-7-11-4-12(8-16)6-13(5-11)9-16/h11-14,18,21-22H,1-10H2/t11?,12?,13?,14-,16?/m1/s1
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n/an/a 4.60n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human FAP using Lys-Pro-AMC in fluorometric assay


Bioorg Med Chem Lett 15: 4239-42 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.075
BindingDB Entry DOI: 10.7270/Q2CJ8D2F
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50431235
PNG
(CHEMBL2332619)
Show SMILES C[C@@H](NC(=O)c1ccnc2ccccc12)C(=O)N1CCC[C@H]1B(O)O
Show InChI InChI=1S/C17H20BN3O4/c1-11(17(23)21-10-4-7-15(21)18(24)25)20-16(22)13-8-9-19-14-6-3-2-5-12(13)14/h2-3,5-6,8-9,11,15,24-25H,4,7,10H2,1H3,(H,20,22)/t11-,15+/m1/s1
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n/an/a 6.40n/an/an/an/an/an/a



Tufts University Sackler School of Biomedical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human FAP using Z-Gly-Pro-AMC as substrate preincubated for 10 mins prior to substrate addition by fluorescence assay


J Med Chem 56: 3467-77 (2013)


Article DOI: 10.1021/jm400351a
BindingDB Entry DOI: 10.7270/Q2C53N7W
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50431236
PNG
(CHEMBL2332618)
Show SMILES C[C@@H](NC(=O)c1ccnc(Cl)c1)C(=O)N1CCC[C@H]1B(O)O
Show InChI InChI=1S/C13H17BClN3O4/c1-8(13(20)18-6-2-3-10(18)14(21)22)17-12(19)9-4-5-16-11(15)7-9/h4-5,7-8,10,21-22H,2-3,6H2,1H3,(H,17,19)/t8-,10+/m1/s1
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n/an/a 9.40n/an/an/an/an/an/a



Tufts University Sackler School of Biomedical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human FAP using Z-Gly-Pro-AMC as substrate preincubated for 10 mins prior to substrate addition by fluorescence assay


J Med Chem 56: 3467-77 (2013)


Article DOI: 10.1021/jm400351a
BindingDB Entry DOI: 10.7270/Q2C53N7W
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM303132
PNG
(US10137202, Compound TAM552)
Show SMILES CCCO[C@H](C[C@H](C(C)C)N(CCC)C(=O)[C@@H](NC(=O)[C@H]1CCCCN1C)[C@@H](C)CC)c1nc(cs1)C(=O)N[C@H](C[C@H](C)C(=O)NNC(=O)OCCOCCOCCOCCNC(=O)CCCCCN1C(=O)C=CC1=O)Cc1ccc(O)cc1
Show InChI InChI=1S/C60H95N9O14S/c1-9-26-68(59(77)54(42(6)11-3)64-57(76)48-17-14-16-27-67(48)8)49(41(4)5)39-50(82-29-10-2)58-63-47(40-84-58)56(75)62-45(38-44-19-21-46(70)22-20-44)37-43(7)55(74)65-66-60(78)83-36-35-81-34-33-80-32-31-79-30-25-61-51(71)18-13-12-15-28-69-52(72)23-24-53(69)73/h19-24,40-43,45,48-50,54,70H,9-18,25-39H2,1-8H3,(H,61,71)(H,62,75)(H,64,76)(H,65,74)(H,66,78)/t42-,43-,45+,48+,49+,50+,54-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Oncomatryx Biopharma, S.L.

US Patent


Assay Description
cell proliferation arrest on HT1080 cells (CPA; crystal violet).


US Patent US10137202 (2018)

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


(Homo sapiens (Human))
BDBM50171552
PNG
((S)-2-(S)-Amino-1-(2-boron-dihydroxide-pyrrolidine...)
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+/m1/s1
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n/an/a 11n/an/an/an/an/an/a



ActivX Biosciences

Curated by ChEMBL


Assay Description
Inhibitory concentration against human fibroblast activation protein alpha


Bioorg Med Chem Lett 15: 4256-60 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.076
BindingDB Entry DOI: 10.7270/Q2RR1XSW
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50050517
PNG
(Boronic acid derivative | CHEMBL305170 | N-alkyl G...)
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 11n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human FAP using Lys-Pro-AMC in fluorometric assay


Bioorg Med Chem Lett 15: 4239-42 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.075
BindingDB Entry DOI: 10.7270/Q2CJ8D2F
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
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 12n/an/an/an/an/an/a



Tufts University Sackler School of Biomedical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human FAP using Z-Gly-Pro-AMC as substrate preincubated for 10 mins prior to substrate addition by fluorescence assay


J Med Chem 56: 3467-77 (2013)


Article DOI: 10.1021/jm400351a
BindingDB Entry DOI: 10.7270/Q2C53N7W
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50431239
PNG
(CHEMBL2333029)
Show SMILES C[C@@H](NC(=O)c1ccncc1F)C(=O)N1CCC[C@H]1B(O)O
Show InChI InChI=1S/C13H17BFN3O4/c1-8(13(20)18-6-2-3-11(18)14(21)22)17-12(19)9-4-5-16-7-10(9)15/h4-5,7-8,11,21-22H,2-3,6H2,1H3,(H,17,19)/t8-,11+/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Tufts University Sackler School of Biomedical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human FAP using Z-Gly-Pro-AMC as substrate preincubated for 10 mins prior to substrate addition by fluorescence assay


J Med Chem 56: 3467-77 (2013)


Article DOI: 10.1021/jm400351a
BindingDB Entry DOI: 10.7270/Q2C53N7W
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50431237
PNG
(CHEMBL2332617)
Show SMILES C[C@@H](NC(=O)c1ccnc(F)c1)C(=O)N1CCC[C@H]1B(O)O
Show InChI InChI=1S/C13H17BFN3O4/c1-8(13(20)18-6-2-3-10(18)14(21)22)17-12(19)9-4-5-16-11(15)7-9/h4-5,7-8,10,21-22H,2-3,6H2,1H3,(H,17,19)/t8-,10+/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Tufts University Sackler School of Biomedical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human FAP using Z-Gly-Pro-AMC as substrate preincubated for 10 mins prior to substrate addition by fluorescence assay


J Med Chem 56: 3467-77 (2013)


Article DOI: 10.1021/jm400351a
BindingDB Entry DOI: 10.7270/Q2C53N7W
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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n/an/a 19n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAP expressed in Hi5 insect cells


J Med Chem 53: 6572-83 (2010)


Article DOI: 10.1021/jm1002556
BindingDB Entry DOI: 10.7270/Q23F4QM9
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM103917
PNG
(US8562945, 253)
Show SMILES CN1C=C[N]2=C1C[N]1(CCCCCC(=O)NCC(=O)N3CCCC3B(O)O)CC3=[N](C=CN3C)[Re+]21
Show InChI InChI=1S/C22H36BN7O4.Re/c1-27-13-9-24-19(27)16-29(17-20-25-10-14-28(20)2)11-5-3-4-8-21(31)26-15-22(32)30-12-6-7-18(30)23(33)34;/h9-10,13-14,18,33-34H,3-8,11-12,15-17H2,1-2H3,(H,26,31);/q;+1
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n/an/a 20n/an/an/an/an/an/a



Molecular Insight Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were tested for their ability to inhibit separase enzyme.


US Patent US8562945 (2013)


BindingDB Entry DOI: 10.7270/Q2XP73KD
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50326390
PNG
((2S,4S)-1-({(2S,4S)-4-[2-(1,3-Dihydro-2H-isoindol-...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)[C@@H]1C[C@@H](CC(=O)N2Cc3ccccc3C2)C(=O)N1
Show InChI InChI=1S/C20H21FN4O3/c21-15-7-16(8-22)25(11-15)20(28)17-5-14(19(27)23-17)6-18(26)24-9-12-3-1-2-4-13(12)10-24/h1-4,14-17H,5-7,9-11H2,(H,23,27)/t14-,15-,16-,17-/m0/s1
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National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAP expressed in Hi5 insect cells


J Med Chem 53: 6572-83 (2010)


Article DOI: 10.1021/jm1002556
BindingDB Entry DOI: 10.7270/Q23F4QM9
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM103918
PNG
(US8562945, 254)
Show SMILES OB(O)C1CCCN1C(=O)CNC(=O)CCCCC[N]12CC3=CC=CC=[N]3[Re+]1[N]1=C(C2)C=CC=C1
Show InChI InChI=1S/C24H34BN5O4.Re/c31-23(28-17-24(32)30-16-8-11-22(30)25(33)34)12-2-1-7-15-29(18-20-9-3-5-13-26-20)19-21-10-4-6-14-27-21;/h3-6,9-10,13-14,22,33-34H,1-2,7-8,11-12,15-19H2,(H,28,31);/q;+1
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n/an/a 21n/an/an/an/an/an/a



Molecular Insight Pharmaceuticals, Inc.

US Patent


Assay Description
Compounds were tested for their ability to inhibit separase enzyme.


US Patent US8562945 (2013)


BindingDB Entry DOI: 10.7270/Q2XP73KD
More data for this
Ligand-Target Pair
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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n/an/a 22n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAP expressed in Hi5 insect cells


J Med Chem 53: 6572-83 (2010)


Article DOI: 10.1021/jm1002556
BindingDB Entry DOI: 10.7270/Q23F4QM9
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
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 24n/an/an/an/an/an/a



Tufts University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human FAP


Bioorg Med Chem Lett 17: 507-10 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.012
BindingDB Entry DOI: 10.7270/Q2T43SQH
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM303131
PNG
(US10137202, Compound TAM471)
Show SMILES CCCO[C@H](C[C@H](C(C)C)N(CCC)C(=O)[C@@H](NC(=O)[C@H]1CCCCN1C)[C@@H](C)CC)c1nc(cs1)C(=O)N[C@H](C[C@H](C)C(=O)NNC(=O)OCc1ccc(NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@H](NC(=O)CCCCCN2C(=O)C=CC2=O)C(C)C)cc1)Cc1ccc(O)cc1
Show InChI InChI=1S/C70H105N13O14S/c1-11-34-82(68(93)61(45(8)13-3)78-65(91)54-21-16-18-35-81(54)10)55(43(4)5)40-56(96-37-12-2)67-76-53(42-98-67)64(90)74-50(39-47-25-29-51(84)30-26-47)38-46(9)62(88)79-80-70(95)97-41-48-23-27-49(28-24-48)73-63(89)52(20-19-33-72-69(71)94)75-66(92)60(44(6)7)77-57(85)22-15-14-17-36-83-58(86)31-32-59(83)87/h23-32,42-46,50,52,54-56,60-61,84H,11-22,33-41H2,1-10H3,(H,73,89)(H,74,90)(H,75,92)(H,77,85)(H,78,91)(H,79,88)(H,80,95)(H3,71,72,94)/t45-,46-,50+,52+,54+,55+,56+,60+,61-/m0/s1
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n/an/a 29.5n/an/an/an/an/an/a



Oncomatryx Biopharma, S.L.

US Patent


Assay Description
cell proliferation arrest on HT1080 cells (CPA; crystal violet).


US Patent US10137202 (2018)

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


(Homo sapiens (Human))
BDBM50326395
PNG
((2R)-1-{(2S, 4S)-4-[2-(1,3-Dihydroisoindol-2-yl)-2...)
Show SMILES OB(O)[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H](CC(=O)N2Cc3ccccc3C2)C(=O)N1
Show InChI InChI=1S/C19H24BN3O5/c24-17(22-10-12-4-1-2-5-13(12)11-22)9-14-8-15(21-18(14)25)19(26)23-7-3-6-16(23)20(27)28/h1-2,4-5,14-16,27-28H,3,6-11H2,(H,21,25)/t14-,15-,16-/m0/s1
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n/an/a 31n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAP expressed in Hi5 insect cells


J Med Chem 53: 6572-83 (2010)


Article DOI: 10.1021/jm1002556
BindingDB Entry DOI: 10.7270/Q23F4QM9
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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n/an/a 36n/an/an/an/an/an/a



Tufts University Sackler School of Biomedical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human FAP using Z-Gly-Pro-AMC as substrate preincubated for 10 mins prior to substrate addition by fluorescence assay


J Med Chem 56: 3467-77 (2013)


Article DOI: 10.1021/jm400351a
BindingDB Entry DOI: 10.7270/Q2C53N7W
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50276652
PNG
(2-(adamantan-1-ylamino)-1-[(2R)-2-(dihydroxyborany...)
Show SMILES OB(O)[C@@H]1CCCN1C(=O)CNC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C16H27BN2O3/c20-15(19-3-1-2-14(19)17(21)22)10-18-16-7-11-4-12(8-16)6-13(5-11)9-16/h11-14,18,21-22H,1-10H2/t11?,12?,13?,14-,16?/m0/s1
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n/an/a 46n/an/an/an/an/an/a



Matrix Laboratories Limited

Curated by ChEMBL


Assay Description
Inhibition of FAP


Bioorg Med Chem 17: 1783-802 (2009)


Article DOI: 10.1016/j.bmc.2009.01.061
BindingDB Entry DOI: 10.7270/Q2VD70DJ
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50050511
PNG
((R)-1-(2-aminoacetyl)pyrrolidin-2-ylboronic acid |...)
Show SMILES NCC(=O)N1CCC[C@H]1B(O)O
Show InChI InChI=1S/C6H13BN2O3/c8-4-6(10)9-3-1-2-5(9)7(11)12/h5,11-12H,1-4,8H2/t5-/m0/s1
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n/an/a 52n/an/an/an/an/an/a



Tufts University Sackler School of Biomedical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human FAP using Z-Gly-Pro-AMC as substrate preincubated for 10 mins prior to substrate addition by fluorescence assay


J Med Chem 56: 3467-77 (2013)


Article DOI: 10.1021/jm400351a
BindingDB Entry DOI: 10.7270/Q2C53N7W
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50431241
PNG
(CHEMBL2333027)
Show SMILES C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1B(O)O
Show InChI InChI=1S/C14H19BN2O4/c1-10(16-13(18)11-6-3-2-4-7-11)14(19)17-9-5-8-12(17)15(20)21/h2-4,6-7,10,12,20-21H,5,8-9H2,1H3,(H,16,18)/t10-,12+/m1/s1
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n/an/a 54n/an/an/an/an/an/a



Tufts University Sackler School of Biomedical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human FAP using Z-Gly-Pro-AMC as substrate preincubated for 10 mins prior to substrate addition by fluorescence assay


J Med Chem 56: 3467-77 (2013)


Article DOI: 10.1021/jm400351a
BindingDB Entry DOI: 10.7270/Q2C53N7W
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50326372
PNG
((S)-1-((S)-2-amino-5-(1-oxoisoindolin-2-yl)pentano...)
Show SMILES N[C@@H](CCCN1Cc2ccccc2C1=O)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C18H22N4O2/c19-11-14-6-3-10-22(14)18(24)16(20)8-4-9-21-12-13-5-1-2-7-15(13)17(21)23/h1-2,5,7,14,16H,3-4,6,8-10,12,20H2/t14-,16-/m0/s1
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n/an/a 54n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAP expressed in Hi5 insect cells


J Med Chem 53: 6572-83 (2010)


Article DOI: 10.1021/jm1002556
BindingDB Entry DOI: 10.7270/Q23F4QM9
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50326378
PNG
((2S)-1-{(2S,4S)-4-[2-(5-Fluoro-1,3-dihydroisoindol...)
Show SMILES Fc1ccc2CN(Cc2c1)C(=O)C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C20H21FN4O3/c21-15-4-3-12-10-24(11-14(12)6-15)18(26)8-13-7-17(23-19(13)27)20(28)25-5-1-2-16(25)9-22/h3-4,6,13,16-17H,1-2,5,7-8,10-11H2,(H,23,27)/t13-,16-,17-/m0/s1
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n/an/a 59n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAP expressed in Hi5 insect cells


J Med Chem 53: 6572-83 (2010)


Article DOI: 10.1021/jm1002556
BindingDB Entry DOI: 10.7270/Q23F4QM9
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50326391
PNG
((2S,4S)-1-{(2S,4S)-4-[2-(5-Chloro-1,3-dihydroisoin...)
Show SMILES F[C@H]1C[C@@H](C#N)N(C1)C(=O)[C@@H]1C[C@@H](CC(=O)N2Cc3ccc(Cl)cc3C2)C(=O)N1
Show InChI InChI=1S/C20H20ClFN4O3/c21-14-2-1-11-8-25(9-13(11)3-14)18(27)5-12-4-17(24-19(12)28)20(29)26-10-15(22)6-16(26)7-23/h1-3,12,15-17H,4-6,8-10H2,(H,24,28)/t12-,15-,16-,17-/m0/s1
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n/an/a 63n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAP expressed in Hi5 insect cells


J Med Chem 53: 6572-83 (2010)


Article DOI: 10.1021/jm1002556
BindingDB Entry DOI: 10.7270/Q23F4QM9
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50431232
PNG
(CHEMBL2332622)
Show SMILES CC[C@@H](NC(=O)c1ccnc2ccccc12)C(=O)N1CCC[C@H]1B(O)O
Show InChI InChI=1S/C18H22BN3O4/c1-2-14(18(24)22-11-5-8-16(22)19(25)26)21-17(23)13-9-10-20-15-7-4-3-6-12(13)15/h3-4,6-7,9-10,14,16,25-26H,2,5,8,11H2,1H3,(H,21,23)/t14-,16+/m1/s1
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n/an/a 65n/an/an/an/an/an/a



Tufts University Sackler School of Biomedical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human FAP using Z-Gly-Pro-AMC as substrate preincubated for 10 mins prior to substrate addition by fluorescence assay


J Med Chem 56: 3467-77 (2013)


Article DOI: 10.1021/jm400351a
BindingDB Entry DOI: 10.7270/Q2C53N7W
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50326377
PNG
((2S)-1-({(2S,4S)-4-[2-(5-Chloro-1,3-dihydro-2H-iso...)
Show SMILES Clc1ccc2CN(Cc2c1)C(=O)C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C20H21ClN4O3/c21-15-4-3-12-10-24(11-14(12)6-15)18(26)8-13-7-17(23-19(13)27)20(28)25-5-1-2-16(25)9-22/h3-4,6,13,16-17H,1-2,5,7-8,10-11H2,(H,23,27)/t13-,16-,17-/m0/s1
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n/an/a 66n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAP expressed in Hi5 insect cells


J Med Chem 53: 6572-83 (2010)


Article DOI: 10.1021/jm1002556
BindingDB Entry DOI: 10.7270/Q23F4QM9
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50326387
PNG
((2S)-1-({(2S,4S)-5-Oxo-4-[2-oxo-2-(pyrrolidin-1-yl...)
Show SMILES O=C(C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N)N1CCCC1
Show InChI InChI=1S/C16H22N4O3/c17-10-12-4-3-7-20(12)16(23)13-8-11(15(22)18-13)9-14(21)19-5-1-2-6-19/h11-13H,1-9H2,(H,18,22)/t11-,12-,13-/m0/s1
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n/an/a 73n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAP expressed in Hi5 insect cells


J Med Chem 53: 6572-83 (2010)


Article DOI: 10.1021/jm1002556
BindingDB Entry DOI: 10.7270/Q23F4QM9
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50326375
PNG
((2S)-1-{(2S, 4S)-4-[2-(1,3-Dihydroisoindol-2-yl)-2...)
Show SMILES O=C(C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N)N1Cc2ccccc2C1
Show InChI InChI=1S/C20H22N4O3/c21-10-16-6-3-7-24(16)20(27)17-8-15(19(26)22-17)9-18(25)23-11-13-4-1-2-5-14(13)12-23/h1-2,4-5,15-17H,3,6-9,11-12H2,(H,22,26)/t15-,16-,17-/m0/s1
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n/an/a 79n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAP expressed in Hi5 insect cells


J Med Chem 53: 6572-83 (2010)


Article DOI: 10.1021/jm1002556
BindingDB Entry DOI: 10.7270/Q23F4QM9
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50443761
PNG
(CHEMBL3093903)
Show SMILES N[C@@H](Cc1ccc(F)cc1)C(=O)N1C[C@@H](F)C[C@H]1C#N
Show InChI InChI=1S/C14H15F2N3O/c15-10-3-1-9(2-4-10)5-13(18)14(20)19-8-11(16)6-12(19)7-17/h1-4,11-13H,5-6,8,18H2/t11-,12-,13-/m0/s1
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n/an/a 82n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of 6xHis-tagged recombinant FAP (unknown origin) expressed in baculovirus expression system assessed as hydrolysis of Nle-Pro-aminomethylc...


Bioorg Med Chem 21: 7418-29 (2013)


Article DOI: 10.1016/j.bmc.2013.09.048
BindingDB Entry DOI: 10.7270/Q2WS8VPZ
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50326380
PNG
((2S)-1-({(2S,4S)-4-[2-(1,3-Dihydro-2H-isoquinol-2-...)
Show SMILES O=C(C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N)N1CCc2ccccc2C1
Show InChI InChI=1S/C21H24N4O3/c22-12-17-6-3-8-25(17)21(28)18-10-16(20(27)23-18)11-19(26)24-9-7-14-4-1-2-5-15(14)13-24/h1-2,4-5,16-18H,3,6-11,13H2,(H,23,27)/t16-,17-,18-/m0/s1
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n/an/a 88n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAP expressed in Hi5 insect cells


J Med Chem 53: 6572-83 (2010)


Article DOI: 10.1021/jm1002556
BindingDB Entry DOI: 10.7270/Q23F4QM9
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
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 89n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of FAPalpha


Bioorg Med Chem 20: 5864-83 (2012)


Article DOI: 10.1016/j.bmc.2012.07.046
BindingDB Entry DOI: 10.7270/Q2FX7BJX
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM303130
PNG
(US10137202, Compound TAM551)
Show SMILES CCCO[C@H](C[C@H](C(C)C)N(CCC)C(=O)[C@@H](NC(=O)C([C@@H](C)CC)N(C)C(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCCN2C(=O)C=CC2=O)C(C)C)cc1)[C@@H](C)CC)c1nc(cs1)C(=O)N[C@H](C[C@H](C)C(O)=O)Cc1ccccc1
Show InChI InChI=1S/C70H105N11O14S/c1-13-35-80(54(43(5)6)40-55(94-37-14-2)66-76-53(42-96-66)63(86)74-51(38-47(11)68(90)91)39-48-24-19-17-20-25-48)67(89)60(45(9)15-3)78-65(88)61(46(10)16-4)79(12)70(93)95-41-49-28-30-50(31-29-49)73-62(85)52(26-23-34-72-69(71)92)75-64(87)59(44(7)8)77-56(82)27-21-18-22-36-81-57(83)32-33-58(81)84/h17,19-20,24-25,28-33,42-47,51-52,54-55,59-61H,13-16,18,21-23,26-27,34-41H2,1-12H3,(H,73,85)(H,74,86)(H,75,87)(H,77,82)(H,78,88)(H,90,91)(H3,71,72,92)/t45-,46-,47-,51+,52-,54+,55+,59-,60-,61?/m0/s1
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n/an/a 90n/an/an/an/an/an/a



Oncomatryx Biopharma, S.L.

US Patent


Assay Description
cell proliferation arrest on HT1080 cells (CPA; crystal violet).


US Patent US10137202 (2018)

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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n/an/a 93n/an/an/an/an/an/a



Tufts University Sackler School of Biomedical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human FAP using Z-Gly-Pro-AMC as substrate preincubated for 10 mins prior to substrate addition by fluorescence assay


J Med Chem 56: 3467-77 (2013)


Article DOI: 10.1021/jm400351a
BindingDB Entry DOI: 10.7270/Q2C53N7W
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM303139
PNG
(US10137202, Compound TAM558)
Show SMILES CCCO[C@H](C[C@H](C(C)C)N(CCC)C(=O)[C@@H](NC(=O)[C@H]1CCCCN1C)[C@@H](C)CC)c1nc(cs1)C(=O)N[C@H](C[C@H](C)C(=O)NNC(=O)OCCOCCOCCOCCNC(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCCN2C(=O)C=CC2=O)C(C)C)cc1)Cc1ccc(O)cc1
Show InChI InChI=1S/C79H122N14O19S/c1-11-35-92(76(103)69(53(8)13-3)88-73(101)62-21-16-18-36-91(62)10)63(51(4)5)48-64(110-38-12-2)75-86-61(50-113-75)72(100)84-58(47-55-25-29-59(94)30-26-55)46-54(9)70(98)89-90-79(106)111-45-44-109-43-42-108-41-40-107-39-34-82-78(105)112-49-56-23-27-57(28-24-56)83-71(99)60(20-19-33-81-77(80)104)85-74(102)68(52(6)7)87-65(95)22-15-14-17-37-93-66(96)31-32-67(93)97/h23-32,50-54,58,60,62-64,68-69,94H,11-22,33-49H2,1-10H3,(H,82,105)(H,83,99)(H,84,100)(H,85,102)(H,87,95)(H,88,101)(H,89,98)(H,90,106)(H3,80,81,104)/t53-,54-,58+,60-,62+,63+,64+,68-,69-/m0/s1
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n/an/a 98n/an/an/an/an/an/a



Oncomatryx Biopharma, S.L.

US Patent


Assay Description
cell proliferation arrest on HT1080 cells (CPA; crystal violet).


US Patent US10137202 (2018)

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


(Homo sapiens (Human))
BDBM303138
PNG
(US10137202, Compound TAM553)
Show SMILES CCCO[C@H](C[C@H](C(C)C)N(CCC)C(=O)[C@@H](NC(=O)[C@H]1CCCCN1C)[C@@H](C)CC)c1nc(cs1)C(=O)N[C@H](C[C@H](C)C(=O)NNC(=O)OCCOCCNC(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCCN2C(=O)C=CC2=O)C(C)C)cc1)Cc1ccccc1
Show InChI InChI=1S/C75H114N14O16S/c1-11-36-88(72(98)65(50(8)13-3)84-69(96)58-26-19-21-37-87(58)10)59(48(4)5)45-60(103-39-12-2)71-82-57(47-106-71)68(95)80-55(44-52-23-16-14-17-24-52)43-51(9)66(93)85-86-75(101)104-42-41-102-40-35-78-74(100)105-46-53-28-30-54(31-29-53)79-67(94)56(25-22-34-77-73(76)99)81-70(97)64(49(6)7)83-61(90)27-18-15-20-38-89-62(91)32-33-63(89)92/h14,16-17,23-24,28-33,47-51,55-56,58-60,64-65H,11-13,15,18-22,25-27,34-46H2,1-10H3,(H,78,100)(H,79,94)(H,80,95)(H,81,97)(H,83,90)(H,84,96)(H,85,93)(H,86,101)(H3,76,77,99)/t50-,51-,55+,56-,58+,59+,60+,64-,65-/m0/s1
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n/an/a 98n/an/an/an/an/an/a



Oncomatryx Biopharma, S.L.

US Patent


Assay Description
cell proliferation arrest on HT1080 cells (CPA; crystal violet).


US Patent US10137202 (2018)

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


(Homo sapiens (Human))
BDBM50171644
PNG
(CHEMBL427012 | N-alkyl Gly-boro-Pro derivative)
Show SMILES OB(O)[C@H]1CCCN1C(=O)CNC1C2CC3CC(C2)CC1C3
Show InChI InChI=1S/C16H27BN2O3/c20-15(19-3-1-2-14(19)17(21)22)9-18-16-12-5-10-4-11(7-12)8-13(16)6-10/h10-14,16,18,21-22H,1-9H2/t10?,11?,12?,13?,14-,16?/m1/s1
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n/an/a 99n/an/an/an/an/an/a



ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human FAP using Lys-Pro-AMC in fluorometric assay


Bioorg Med Chem Lett 15: 4239-42 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.075
BindingDB Entry DOI: 10.7270/Q2CJ8D2F
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50326379
PNG
((2S)-1-({(2S,4S)-4-[2-(5-Trifluoromethyl-1,3-dihyd...)
Show SMILES FC(F)(F)c1ccc2CN(Cc2c1)C(=O)C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C21H21F3N4O3/c22-21(23,24)15-4-3-12-10-27(11-14(12)6-15)18(29)8-13-7-17(26-19(13)30)20(31)28-5-1-2-16(28)9-25/h3-4,6,13,16-17H,1-2,5,7-8,10-11H2,(H,26,30)/t13-,16-,17-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAP expressed in Hi5 insect cells


J Med Chem 53: 6572-83 (2010)


Article DOI: 10.1021/jm1002556
BindingDB Entry DOI: 10.7270/Q23F4QM9
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50431234
PNG
(CHEMBL2332620)
Show SMILES OC[C@@H](NC(=O)c1ccnc2ccccc12)C(=O)N1CCC[C@H]1B(O)O
Show InChI InChI=1S/C17H20BN3O5/c22-10-14(17(24)21-9-3-6-15(21)18(25)26)20-16(23)12-7-8-19-13-5-2-1-4-11(12)13/h1-2,4-5,7-8,14-15,22,25-26H,3,6,9-10H2,(H,20,23)/t14-,15+/m1/s1
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n/an/a 120n/an/an/an/an/an/a



Tufts University Sackler School of Biomedical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human FAP using Z-Gly-Pro-AMC as substrate preincubated for 10 mins prior to substrate addition by fluorescence assay


J Med Chem 56: 3467-77 (2013)


Article DOI: 10.1021/jm400351a
BindingDB Entry DOI: 10.7270/Q2C53N7W
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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n/an/a 120n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAP expressed in Hi5 insect cells


J Med Chem 53: 6572-83 (2010)


Article DOI: 10.1021/jm1002556
BindingDB Entry DOI: 10.7270/Q23F4QM9
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50443754
PNG
(CHEMBL3093905)
Show SMILES COc1ccc(C[C@H](N)C(=O)N2C[C@@H](F)C[C@H]2C#N)cc1
Show InChI InChI=1S/C15H18FN3O2/c1-21-13-4-2-10(3-5-13)6-14(18)15(20)19-9-11(16)7-12(19)8-17/h2-5,11-12,14H,6-7,9,18H2,1H3/t11-,12-,14-/m0/s1
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n/an/a 140n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of 6xHis-tagged recombinant FAP (unknown origin) expressed in baculovirus expression system assessed as hydrolysis of Nle-Pro-aminomethylc...


Bioorg Med Chem 21: 7418-29 (2013)


Article DOI: 10.1016/j.bmc.2013.09.048
BindingDB Entry DOI: 10.7270/Q2WS8VPZ
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50443749
PNG
(CHEMBL3093910)
Show SMILES N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N1C[C@@H](F)C[C@H]1C#N
Show InChI InChI=1S/C21H22FN3O2/c22-17-11-18(12-23)25(13-17)21(26)20(24)10-15-6-8-19(9-7-15)27-14-16-4-2-1-3-5-16/h1-9,17-18,20H,10-11,13-14,24H2/t17-,18-,20-/m0/s1
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n/an/a 140n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of 6xHis-tagged recombinant FAP (unknown origin) expressed in baculovirus expression system assessed as hydrolysis of Nle-Pro-aminomethylc...


Bioorg Med Chem 21: 7418-29 (2013)


Article DOI: 10.1016/j.bmc.2013.09.048
BindingDB Entry DOI: 10.7270/Q2WS8VPZ
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50171649
PNG
(CHEMBL196933 | N-alkyl Gly-boro-Pro derivative)
Show SMILES OB(O)[C@@H]1CCCN1C(=O)CNC1CCCCCC1
Show InChI InChI=1S/C13H25BN2O3/c17-13(16-9-5-8-12(16)14(18)19)10-15-11-6-3-1-2-4-7-11/h11-12,15,18-19H,1-10H2/t12-/m0/s1
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ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human FAP using Lys-Pro-AMC in fluorometric assay


Bioorg Med Chem Lett 15: 4239-42 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.075
BindingDB Entry DOI: 10.7270/Q2CJ8D2F
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50443746
PNG
(CHEMBL3093913)
Show SMILES N[C@@H](Cc1ccc(F)cc1F)C(=O)N1C[C@@H](F)C[C@H]1C#N
Show InChI InChI=1S/C14H14F3N3O/c15-9-2-1-8(12(17)5-9)3-13(19)14(21)20-7-10(16)4-11(20)6-18/h1-2,5,10-11,13H,3-4,7,19H2/t10-,11-,13-/m0/s1
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of 6xHis-tagged recombinant FAP (unknown origin) expressed in baculovirus expression system assessed as hydrolysis of Nle-Pro-aminomethylc...


Bioorg Med Chem 21: 7418-29 (2013)


Article DOI: 10.1016/j.bmc.2013.09.048
BindingDB Entry DOI: 10.7270/Q2WS8VPZ
More data for this
Ligand-Target Pair
Fibroblast Activation Protein (FAP)


(Homo sapiens (Human))
BDBM12178
PNG
((2S)-1-{[(2S,4S)-4-(2,3-dihydro-1H-isoindol-2-ylca...)
Show SMILES O=C([C@@H]1CN[C@@H](C1)C(=O)N1CCC[C@H]1C#N)N1Cc2ccccc2C1
Show InChI InChI=1S/C19H22N4O2/c20-9-16-6-3-7-23(16)19(25)17-8-15(10-21-17)18(24)22-11-13-4-1-2-5-14(13)12-22/h1-2,4-5,15-17,21H,3,6-8,10-12H2/t15-,16-,17-/m0/s1
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n/an/a 175n/an/an/an/an/an/a



National Health Research Institutes



Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


Bioorg Med Chem Lett 16: 3268-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.037
BindingDB Entry DOI: 10.7270/Q22805V8
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50171657
PNG
(2-(Bicyclo[3.2.1]oct-6-ylamino)-1-((S)-2-dihydroxy...)
Show SMILES OC(O)[C@@H]1CCCN1C(=O)CNC1CC2CC1CCC2
Show InChI InChI=1S/C15H26N2O3/c18-14(17-6-2-5-13(17)15(19)20)9-16-12-8-10-3-1-4-11(12)7-10/h10-13,15-16,19-20H,1-9H2/t10?,11?,12?,13-/m0/s1
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ActivX Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human FAP using Lys-Pro-AMC in fluorometric assay


Bioorg Med Chem Lett 15: 4239-42 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.075
BindingDB Entry DOI: 10.7270/Q2CJ8D2F
More data for this
Ligand-Target Pair
Fibroblast activation protein alpha


(Homo sapiens (Human))
BDBM50326386
PNG
((2S)-1-({(2S,4S)-4-[2-[4-(4-Chlorophenyl)-3,6-dihy...)
Show SMILES Clc1ccc(cc1)C1=CCN(CC1)C(=O)C[C@@H]1C[C@H](NC1=O)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C23H25ClN4O3/c24-18-5-3-15(4-6-18)16-7-10-27(11-8-16)21(29)13-17-12-20(26-22(17)30)23(31)28-9-1-2-19(28)14-25/h3-7,17,19-20H,1-2,8-13H2,(H,26,30)/t17-,19-,20-/m0/s1
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National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAP expressed in Hi5 insect cells


J Med Chem 53: 6572-83 (2010)


Article DOI: 10.1021/jm1002556
BindingDB Entry DOI: 10.7270/Q23F4QM9
More data for this
Ligand-Target Pair
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