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Compile Data Set for Download or QSAR

Found 44 hits of ic50 data for polymerid = 4972   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein phosphatase non-receptor type 13


(Homo sapiens (Human))
BDBM50436358
PNG
(CHEMBL2396718)
Show SMILES CCCNC(=O)COc1ccc(cc1)-c1oc2cc(O)c(cc2c1C#Cc1cccc(Cl)c1)C(O)=O
Show InChI InChI=1S/C28H22ClNO6/c1-2-12-30-26(32)16-35-20-9-7-18(8-10-20)27-21(11-6-17-4-3-5-19(29)13-17)22-14-23(28(33)34)24(31)15-25(22)36-27/h3-5,7-10,13-15,31H,2,12,16H2,1H3,(H,30,32)(H,33,34)
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n/an/a 390n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant FAP-1 (unknown origin) using pNPP as substrate by spectrophotometric analysis


J Med Chem 56: 4990-5008 (2013)


Article DOI: 10.1021/jm400248c
BindingDB Entry DOI: 10.7270/Q2N017XW
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 13


(Homo sapiens (Human))
BDBM50099713
PNG
(CHEMBL50878 | N-(9,10-Dioxo-9,10-dihydro-phenanthr...)
Show SMILES Fc1ccccc1C(=O)Nc1ccc-2c(c1)C(=O)C(=O)c1ccccc-21
Show InChI InChI=1S/C21H12FNO3/c22-18-8-4-3-7-16(18)21(26)23-12-9-10-14-13-5-1-2-6-15(13)19(24)20(25)17(14)11-12/h1-11H,(H,23,26)
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n/an/a 600n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against FAP-1 pNPP


J Med Chem 44: 1777-93 (2001)


BindingDB Entry DOI: 10.7270/Q2X34WQQ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 13


(Homo sapiens (Human))
BDBM50425807
PNG
(CHEMBL2316902)
Show SMILES OC(=O)c1cc2c(C#Cc3cccc(c3)C(F)(F)F)c(oc2cc1O)-c1ccccc1
Show InChI InChI=1S/C24H13F3O4/c25-24(26,27)16-8-4-5-14(11-16)9-10-17-18-12-19(23(29)30)20(28)13-21(18)31-22(17)15-6-2-1-3-7-15/h1-8,11-13,28H,(H,29,30)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of FAP1 (unknown origin) expressed in Escherichia coli using pNPP substrate after 5 mins by spectrophotometric analysis


J Med Chem 56: 832-42 (2013)


Article DOI: 10.1021/jm301781p
BindingDB Entry DOI: 10.7270/Q2KK9D4X
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 13


(Homo sapiens (Human))
BDBM50425806
PNG
(CHEMBL2316907)
Show SMILES OC(=O)c1cc2c(C#Cc3ccc(OC(F)(F)F)cc3)c(oc2cc1O)-c1ccccc1
Show InChI InChI=1S/C24H13F3O5/c25-24(26,27)32-16-9-6-14(7-10-16)8-11-17-18-12-19(23(29)30)20(28)13-21(18)31-22(17)15-4-2-1-3-5-15/h1-7,9-10,12-13,28H,(H,29,30)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of FAP1 (unknown origin) expressed in Escherichia coli using pNPP substrate after 5 mins by spectrophotometric analysis


J Med Chem 56: 832-42 (2013)


Article DOI: 10.1021/jm301781p
BindingDB Entry DOI: 10.7270/Q2KK9D4X
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 13


(Homo sapiens (Human))
BDBM50425808
PNG
(CHEMBL2316906)
Show SMILES OC(=O)c1cc2c(C#Cc3cc(F)cc(F)c3)c(oc2cc1O)-c1ccccc1
Show InChI InChI=1S/C23H12F2O4/c24-15-8-13(9-16(25)10-15)6-7-17-18-11-19(23(27)28)20(26)12-21(18)29-22(17)14-4-2-1-3-5-14/h1-5,8-12,26H,(H,27,28)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of FAP1 (unknown origin) expressed in Escherichia coli using pNPP substrate after 5 mins by spectrophotometric analysis


J Med Chem 56: 832-42 (2013)


Article DOI: 10.1021/jm301781p
BindingDB Entry DOI: 10.7270/Q2KK9D4X
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 13


(Homo sapiens (Human))
BDBM50436357
PNG
(CHEMBL2396719)
Show SMILES OC(=O)c1cc2c(C#Cc3cccc(Cl)c3)c(oc2cc1O)-c1ccc(OCC(=O)NC2CC2)cc1
Show InChI InChI=1S/C28H20ClNO6/c29-18-3-1-2-16(12-18)4-11-21-22-13-23(28(33)34)24(31)14-25(22)36-27(21)17-5-9-20(10-6-17)35-15-26(32)30-19-7-8-19/h1-3,5-6,9-10,12-14,19,31H,7-8,15H2,(H,30,32)(H,33,34)
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n/an/a 2.90E+3n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant FAP-1 (unknown origin) using pNPP as substrate by spectrophotometric analysis


J Med Chem 56: 4990-5008 (2013)


Article DOI: 10.1021/jm400248c
BindingDB Entry DOI: 10.7270/Q2N017XW
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 13


(Homo sapiens (Human))
BDBM84581
PNG
(Thioxothiazolidinone derivative, 1)
Show SMILES COc1cc(\C=C2/SC(=S)N(C2=O)c2cccc(Cl)c2)cc(c1O)N(=O)=O
Show InChI InChI=1S/C17H11ClN2O5S2/c1-25-13-6-9(5-12(15(13)21)20(23)24)7-14-16(22)19(17(26)27-14)11-4-2-3-10(18)8-11/h2-8,21H,1H3/b14-7-
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n/an/a 3.70E+3n/an/an/an/a7.025



McGill University



Assay Description
PTP assay were conducted at 25 C in 96-well plates. Reaction rates were determined using a Variokan plate reader from Thermo Electron. For assay pH...


Chembiochem 8: 179-86 (2007)


Article DOI: 10.1002/cbic.200600287
BindingDB Entry DOI: 10.7270/Q2T72FZ5
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 13


(Homo sapiens (Human))
BDBM50099746
PNG
(CHEMBL51579 | N-(9,10-Dioxo-9,10-dihydro-phenanthr...)
Show SMILES COC(=O)CCC(=O)Nc1cccc2-c3ccccc3C(=O)C(=O)c12
Show InChI InChI=1S/C19H15NO5/c1-25-16(22)10-9-15(21)20-14-8-4-7-12-11-5-2-3-6-13(11)18(23)19(24)17(12)14/h2-8H,9-10H2,1H3,(H,20,21)
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n/an/a 4.40E+3n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against FAP-1 pNPP


J Med Chem 44: 1777-93 (2001)


BindingDB Entry DOI: 10.7270/Q2X34WQQ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 13


(Homo sapiens (Human))
BDBM50099737
PNG
(2-Amino-phenanthrene-9,10-dione | CHEMBL417727 | U...)
Show SMILES Nc1ccc-2c(c1)C(=O)C(=O)c1ccccc-21
Show InChI InChI=1S/C14H9NO2/c15-8-5-6-10-9-3-1-2-4-11(9)13(16)14(17)12(10)7-8/h1-7H,15H2
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n/an/a 4.70E+3n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against FAP-1 using pNPP as substrate


J Med Chem 44: 1777-93 (2001)


BindingDB Entry DOI: 10.7270/Q2X34WQQ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 13


(Homo sapiens (Human))
BDBM50099692
PNG
(CHEMBL51314 | N-(9,10-Dioxo-9,10-dihydro-phenanthr...)
Show SMILES CC(C)(C)C(=O)Nc1ccc-2c(c1)C(=O)C(=O)c1ccccc-21
Show InChI InChI=1S/C19H17NO3/c1-19(2,3)18(23)20-11-8-9-13-12-6-4-5-7-14(12)16(21)17(22)15(13)10-11/h4-10H,1-3H3,(H,20,23)
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n/an/a 7.00E+3n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against FAP-1 pNPP


J Med Chem 44: 1777-93 (2001)


BindingDB Entry DOI: 10.7270/Q2X34WQQ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 13


(Homo sapiens (Human))
BDBM50099697
PNG
(7-(9,10-Dioxo-9,10-dihydro-phenanthren-2-ylcarbamo...)
Show SMILES COC(=O)CCCCCCC(=O)Nc1ccc2-c3ccccc3C(=O)C(=O)c2c1
Show InChI InChI=1S/C23H23NO5/c1-29-21(26)11-5-3-2-4-10-20(25)24-15-12-13-17-16-8-6-7-9-18(16)22(27)23(28)19(17)14-15/h6-9,12-14H,2-5,10-11H2,1H3,(H,24,25)
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n/an/a 9.90E+3n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against FAP-1 pNPP


J Med Chem 44: 1777-93 (2001)


BindingDB Entry DOI: 10.7270/Q2X34WQQ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 13


(Homo sapiens (Human))
BDBM231167
PNG
(US9340574, 7)
Show SMILES COc1cc(CC(=O)NCC(NC(=O)C(CCCNC(=O)c2cccc(I)c2)NC(=O)C(Cc2ccc(cc2)C(F)(F)P(O)(O)=O)NC(=O)c2ccc(C)c(Br)c2)C(N)=O)ccc1O
Show InChI InChI=1S/C42H45BrF2IN6O11P/c1-23-8-12-27(21-30(23)43)39(57)51-32(17-24-9-13-28(14-10-24)42(44,45)64(60,61)62)41(59)50-31(7-4-16-48-38(56)26-5-3-6-29(46)20-26)40(58)52-33(37(47)55)22-49-36(54)19-25-11-15-34(53)35(18-25)63-2/h3,5-6,8-15,18,20-21,31-33,53H,4,7,16-17,19,22H2,1-2H3,(H2,47,55)(H,48,56)(H,49,54)(H,50,59)(H,51,57)(H,52,58)(H2,60,61,62)
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US Patent
n/an/a>1.00E+4n/an/an/an/a7.0n/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
PTP activity was assayed using p-nitrophenyl phosphate (pNPP) as a substrate in 3,3-dimethylglutarate buffer (50 mM 3,3-dimethylglutarate, pH 7.0, 1 ...


US Patent US9340574 (2016)


BindingDB Entry DOI: 10.7270/Q2NV9H4J
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 13


(Homo sapiens (Human))
BDBM50607111
PNG
(CHEMBL5218807)
Show SMILES Cc1c(Br)cc(NC(=O)NS(O)(=O)=O)cc1Br
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01143
BindingDB Entry DOI: 10.7270/Q2BK1HGF
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 13


(Homo sapiens (Human))
BDBM50099700
PNG
(CHEMBL51776 | N-[7-(3-Methoxycarbonyl-propionylami...)
Show SMILES COC(=O)CCC(=O)Nc1ccc-2c(c1)C(=O)C(=O)c1cc(NC(=O)CCC(=O)OC)ccc-21
Show InChI InChI=1S/C24H22N2O8/c1-33-21(29)9-7-19(27)25-13-3-5-15-16-6-4-14(26-20(28)8-10-22(30)34-2)12-18(16)24(32)23(31)17(15)11-13/h3-6,11-12H,7-10H2,1-2H3,(H,25,27)(H,26,28)
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n/an/a 1.20E+4n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against FAP-1 pNPP


J Med Chem 44: 1777-93 (2001)


BindingDB Entry DOI: 10.7270/Q2X34WQQ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 13


(Homo sapiens (Human))
BDBM50099710
PNG
(Benzo[h]quinoline-5,6-dione | CHEMBL50627)
Show SMILES O=C1C(=O)c2cccnc2-c2ccccc12
Show InChI InChI=1S/C13H7NO2/c15-12-9-5-2-1-4-8(9)11-10(13(12)16)6-3-7-14-11/h1-7H
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n/an/a 1.40E+4n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against FAP-1 pNPP


J Med Chem 44: 1777-93 (2001)


BindingDB Entry DOI: 10.7270/Q2X34WQQ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 13


(Homo sapiens (Human))
BDBM50099717
PNG
(CHEMBL300241 | [(9,10-Dioxo-9,10-dihydro-phenanthr...)
Show SMILES OC(=O)CNC(=O)c1ccc-2c(c1)C(=O)C(=O)c1ccccc-21
Show InChI InChI=1S/C17H11NO5/c19-14(20)8-18-17(23)9-5-6-11-10-3-1-2-4-12(10)15(21)16(22)13(11)7-9/h1-7H,8H2,(H,18,23)(H,19,20)
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n/an/a 1.50E+4n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against FAP-1 pNPP


J Med Chem 44: 1777-93 (2001)


BindingDB Entry DOI: 10.7270/Q2X34WQQ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 13


(Homo sapiens (Human))
BDBM50099713
PNG
(CHEMBL50878 | N-(9,10-Dioxo-9,10-dihydro-phenanthr...)
Show SMILES Fc1ccccc1C(=O)Nc1ccc-2c(c1)C(=O)C(=O)c1ccccc-21
Show InChI InChI=1S/C21H12FNO3/c22-18-8-4-3-7-16(18)21(26)23-12-9-10-14-13-5-1-2-6-15(13)19(24)20(25)17(14)11-12/h1-11H,(H,23,26)
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n/an/a 2.00E+4n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against FAP-1 using lck-10 mer as substrate


J Med Chem 44: 1777-93 (2001)


BindingDB Entry DOI: 10.7270/Q2X34WQQ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 13


(Homo sapiens (Human))
BDBM50308158
PNG
(3-(1-(3-(Biphenyl-4-ylamino)-3-oxopropyl)-1H-1,2,3...)
Show SMILES Cn1c(c(-c2cn(CCC(=O)Nc3ccc(cc3)-c3ccccc3)nn2)c2cc(C(O)=O)c(O)cc12)-c1ccccc1
Show InChI InChI=1S/C33H27N5O4/c1-37-28-19-29(39)26(33(41)42)18-25(28)31(32(37)23-10-6-3-7-11-23)27-20-38(36-35-27)17-16-30(40)34-24-14-12-22(13-15-24)21-8-4-2-5-9-21/h2-15,18-20,39H,16-17H2,1H3,(H,34,40)(H,41,42)
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n/an/a 2.03E+4n/an/an/an/a7.0n/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of FAP1 expressed in Escherichia coli assessed as inhibition of p-nitrophenyl phosphate hydrolysis at pH 7 by spectrophotometry


J Med Chem 53: 2482-93 (2010)


Article DOI: 10.1021/jm901645u
BindingDB Entry DOI: 10.7270/Q2639PVD
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 13


(Homo sapiens (Human))
BDBM50099697
PNG
(7-(9,10-Dioxo-9,10-dihydro-phenanthren-2-ylcarbamo...)
Show SMILES COC(=O)CCCCCCC(=O)Nc1ccc2-c3ccccc3C(=O)C(=O)c2c1
Show InChI InChI=1S/C23H23NO5/c1-29-21(26)11-5-3-2-4-10-20(25)24-15-12-13-17-16-8-6-7-9-18(16)22(27)23(28)19(17)14-15/h6-9,12-14H,2-5,10-11H2,1H3,(H,24,25)
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n/an/a>3.00E+4n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against FAP-1 using lck-10 mer as substrate


J Med Chem 44: 1777-93 (2001)


BindingDB Entry DOI: 10.7270/Q2X34WQQ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 13


(Homo sapiens (Human))
BDBM50099700
PNG
(CHEMBL51776 | N-[7-(3-Methoxycarbonyl-propionylami...)
Show SMILES COC(=O)CCC(=O)Nc1ccc-2c(c1)C(=O)C(=O)c1cc(NC(=O)CCC(=O)OC)ccc-21
Show InChI InChI=1S/C24H22N2O8/c1-33-21(29)9-7-19(27)25-13-3-5-15-16-6-4-14(26-20(28)8-10-22(30)34-2)12-18(16)24(32)23(31)17(15)11-13/h3-6,11-12H,7-10H2,1-2H3,(H,25,27)(H,26,28)
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against FAP-1 using lck-10 mer as substrate


J Med Chem 44: 1777-93 (2001)


BindingDB Entry DOI: 10.7270/Q2X34WQQ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 13


(Homo sapiens (Human))
BDBM50099692
PNG
(CHEMBL51314 | N-(9,10-Dioxo-9,10-dihydro-phenanthr...)
Show SMILES CC(C)(C)C(=O)Nc1ccc-2c(c1)C(=O)C(=O)c1ccccc-21
Show InChI InChI=1S/C19H17NO3/c1-19(2,3)18(23)20-11-8-9-13-12-6-4-5-7-14(12)16(21)17(22)15(13)10-11/h4-10H,1-3H3,(H,20,23)
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University of California

Curated by ChEMBL


Assay Description
Inhibition of protein tyrosine phosphatase N13 (unknown origin) phosphorylation


J Biol Chem 282: 35361-72 (2007)


Article DOI: 10.1074/jbc.M706923200
BindingDB Entry DOI: 10.7270/Q25M65HF
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 13


(Homo sapiens (Human))
BDBM50099692
PNG
(CHEMBL51314 | N-(9,10-Dioxo-9,10-dihydro-phenanthr...)
Show SMILES CC(C)(C)C(=O)Nc1ccc-2c(c1)C(=O)C(=O)c1ccccc-21
Show InChI InChI=1S/C19H17NO3/c1-19(2,3)18(23)20-11-8-9-13-12-6-4-5-7-14(12)16(21)17(22)15(13)10-11/h4-10H,1-3H3,(H,20,23)
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against FAP-1 using lck-10 mer as substrate


J Med Chem 44: 1777-93 (2001)


BindingDB Entry DOI: 10.7270/Q2X34WQQ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 13


(Homo sapiens (Human))
BDBM50099737
PNG
(2-Amino-phenanthrene-9,10-dione | CHEMBL417727 | U...)
Show SMILES Nc1ccc-2c(c1)C(=O)C(=O)c1ccccc-21
Show InChI InChI=1S/C14H9NO2/c15-8-5-6-10-9-3-1-2-4-11(9)13(16)14(17)12(10)7-8/h1-7H,15H2
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against FAP-1 using lck-10mer as substrate


J Med Chem 44: 1777-93 (2001)


BindingDB Entry DOI: 10.7270/Q2X34WQQ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 13


(Homo sapiens (Human))
BDBM50099717
PNG
(CHEMBL300241 | [(9,10-Dioxo-9,10-dihydro-phenanthr...)
Show SMILES OC(=O)CNC(=O)c1ccc-2c(c1)C(=O)C(=O)c1ccccc-21
Show InChI InChI=1S/C17H11NO5/c19-14(20)8-18-17(23)9-5-6-11-10-3-1-2-4-12(10)15(21)16(22)13(11)7-9/h1-7H,8H2,(H,18,23)(H,19,20)
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against FAP-1 using lck-10 mer as substrate


J Med Chem 44: 1777-93 (2001)


BindingDB Entry DOI: 10.7270/Q2X34WQQ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 13


(Homo sapiens (Human))
BDBM50099710
PNG
(Benzo[h]quinoline-5,6-dione | CHEMBL50627)
Show SMILES O=C1C(=O)c2cccnc2-c2ccccc12
Show InChI InChI=1S/C13H7NO2/c15-12-9-5-2-1-4-8(9)11-10(13(12)16)6-3-7-14-11/h1-7H
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against FAP-1 using lck-10 mer as substrate


J Med Chem 44: 1777-93 (2001)


BindingDB Entry DOI: 10.7270/Q2X34WQQ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 13


(Homo sapiens (Human))
BDBM50099746
PNG
(CHEMBL51579 | N-(9,10-Dioxo-9,10-dihydro-phenanthr...)
Show SMILES COC(=O)CCC(=O)Nc1cccc2-c3ccccc3C(=O)C(=O)c12
Show InChI InChI=1S/C19H15NO5/c1-25-16(22)10-9-15(21)20-14-8-4-7-12-11-5-2-3-6-13(11)18(23)19(24)17(12)14/h2-8H,9-10H2,1H3,(H,20,21)
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AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory concentration against FAP-1 using lck-10 mer as substrate


J Med Chem 44: 1777-93 (2001)


BindingDB Entry DOI: 10.7270/Q2X34WQQ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 13


(Homo sapiens (Human))
BDBM50544440
PNG
(CHEMBL4647367 | US11192850, Entry 4t)
Show SMILES OC(=O)C(=O)Nc1ccc(cc1)C#Cc1ccc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C17H9ClF3NO3/c18-14-9-12(17(19,20)21)6-5-11(14)4-1-10-2-7-13(8-3-10)22-15(23)16(24)25/h2-3,5-9H,(H,22,23)(H,24,25)
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of FAP1 (unknown origin) expressed in Escherichia coli BL21 using p-nitrophenyl phosphate as substrate measured after 30 mins by UV-vis sp...


J Med Chem 63: 9212-9227 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00302
BindingDB Entry DOI: 10.7270/Q2QV3R3B
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 13


(Homo sapiens (Human))
BDBM50544431
PNG
(CHEMBL4637459 | US11192850, Entry 4k)
Show SMILES OC(=O)C(=O)Nc1ccc(cc1)C#Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H10F3NO3/c18-17(19,20)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)21-15(22)16(23)24/h3-10H,(H,21,22)(H,23,24)
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of FAP1 (unknown origin) expressed in Escherichia coli BL21 using p-nitrophenyl phosphate as substrate measured after 30 mins by UV-vis sp...


J Med Chem 63: 9212-9227 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00302
BindingDB Entry DOI: 10.7270/Q2QV3R3B
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 13


(Homo sapiens (Human))
BDBM50558482
PNG
(CHEMBL4742123)
Show SMILES OS(=O)(=O)C(C(=O)Nc1nc2ccccc2s1)c1ccccc1
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TBA

Assay Description
Inhibition of His-tagged FAP1 (unknown origin) expressed in Escherichia coli BL21 cells using para-nitrophenyl phosphate as substrate incubated for 5...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00993
BindingDB Entry DOI: 10.7270/Q2DN48Q4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 13


(Homo sapiens (Human))
BDBM50335895
PNG
(6-hydroxy-3-(1-(4-(naphthalen-1-ylamino)-4-oxobuty...)
Show SMILES OC(=O)c1cc2c(-c3cn(CCCC(=O)Nc4cccc5ccccc45)nn3)c(oc2cc1O)-c1ccccc1
Show InChI InChI=1S/C31H24N4O5/c36-26-17-27-23(16-22(26)31(38)39)29(30(40-27)20-9-2-1-3-10-20)25-18-35(34-33-25)15-7-14-28(37)32-24-13-6-11-19-8-4-5-12-21(19)24/h1-6,8-13,16-18,36H,7,14-15H2,(H,32,37)(H,38,39)
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n/an/a 3.68E+4n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of FAP1


Proc Natl Acad Sci USA 104: 19767-72 (2007)


Article DOI: 10.1073/pnas.0706233104
BindingDB Entry DOI: 10.7270/Q23F4QJD
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 13


(Homo sapiens (Human))
BDBM50343148
PNG
(CHEMBL1773181 | N1-(1-(4-(4-fluorophenyl)piperazin...)
Show SMILES CC(NC(=O)C(=O)NCc1cccnc1)C(N1CCN(CC1)c1ccc(F)cc1)c1cccs1
Show InChI InChI=1S/C25H28FN5O2S/c1-18(29-25(33)24(32)28-17-19-4-2-10-27-16-19)23(22-5-3-15-34-22)31-13-11-30(12-14-31)21-8-6-20(26)7-9-21/h2-10,15-16,18,23H,11-14,17H2,1H3,(H,28,32)(H,29,33)
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Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human FAP1 expressed in Escherichia coli after 5 mins by microplate spectrophotometer analysis


ACS Med Chem Lett 1: 355-359 (2010)


Article DOI: 10.1021/ml1001135
BindingDB Entry DOI: 10.7270/Q26M37TG
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 13


(Homo sapiens (Human))
BDBM50544427
PNG
(CHEMBL4632818 | US11192850, Entry 4g)
Show SMILES CN(C)c1cc(O)c(cc1C#Cc1cccc(NC(=O)C(O)=O)c1)C(O)=O
Show InChI InChI=1S/C19H16N2O6/c1-21(2)15-10-16(22)14(18(24)25)9-12(15)7-6-11-4-3-5-13(8-11)20-17(23)19(26)27/h3-5,8-10,22H,1-2H3,(H,20,23)(H,24,25)(H,26,27)
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Purdue University

Curated by ChEMBL


Assay Description
Inhibition of FAP1 (unknown origin) expressed in Escherichia coli BL21 using p-nitrophenyl phosphate as substrate measured after 30 mins by UV-vis sp...


J Med Chem 63: 9212-9227 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00302
BindingDB Entry DOI: 10.7270/Q2QV3R3B
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 13


(Homo sapiens (Human))
BDBM50343142
PNG
(CHEMBL1773168 | N-(4-butylphenyl)-2-oxo-1,2-dihydr...)
Show SMILES CCCCc1ccc(NS(=O)(=O)c2ccc3NC(=O)c4cccc2c34)cc1
Show InChI InChI=1S/C21H20N2O3S/c1-2-3-5-14-8-10-15(11-9-14)23-27(25,26)19-13-12-18-20-16(19)6-4-7-17(20)21(24)22-18/h4,6-13,23H,2-3,5H2,1H3,(H,22,24)
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Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human FAP1 expressed in Escherichia coli after 5 mins by microplate spectrophotometer analysis


ACS Med Chem Lett 1: 355-359 (2010)


Article DOI: 10.1021/ml1001135
BindingDB Entry DOI: 10.7270/Q26M37TG
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 13


(Homo sapiens (Human))
BDBM50343147
PNG
(CHEMBL1773180 | N1-(furan-2-ylmethyl)-N2-(1-(4-(4-...)
Show SMILES COc1ccc(cc1)N1CCN(CC1)C(C(C)NC(=O)C(=O)NCc1ccco1)c1cccs1
Show InChI InChI=1S/C25H30N4O4S/c1-18(27-25(31)24(30)26-17-21-5-3-15-33-21)23(22-6-4-16-34-22)29-13-11-28(12-14-29)19-7-9-20(32-2)10-8-19/h3-10,15-16,18,23H,11-14,17H2,1-2H3,(H,26,30)(H,27,31)
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Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human FAP1 expressed in Escherichia coli after 5 mins by microplate spectrophotometer analysis


ACS Med Chem Lett 1: 355-359 (2010)


Article DOI: 10.1021/ml1001135
BindingDB Entry DOI: 10.7270/Q26M37TG
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 13


(Homo sapiens (Human))
BDBM50558487
PNG
(CHEMBL4786243)
Show SMILES OS(=O)(=O)C(C(=O)Nc1ccc(OCc2ccccc2)c(Cl)c1)c1ccccc1
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n/an/a 7.35E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged FAP1 (unknown origin) expressed in Escherichia coli BL21 cells using para-nitrophenyl phosphate as substrate incubated for 5...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00993
BindingDB Entry DOI: 10.7270/Q2DN48Q4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 13


(Homo sapiens (Human))
BDBM50558481
PNG
(CHEMBL4783639)
Show SMILES OS(=O)(=O)C(C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1
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n/an/a 7.60E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged FAP1 (unknown origin) expressed in Escherichia coli BL21 cells using para-nitrophenyl phosphate as substrate incubated for 5...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00993
BindingDB Entry DOI: 10.7270/Q2DN48Q4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 13


(Homo sapiens (Human))
BDBM50558461
PNG
(CHEMBL4760367)
Show SMILES OS(=O)(=O)C(C(=O)Nc1nc2ccc(cc2s1)[N+]([O-])=O)c1ccccc1
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TBA

Assay Description
Inhibition of His-tagged FAP1 (unknown origin) expressed in Escherichia coli BL21 cells using para-nitrophenyl phosphate as substrate incubated for 5...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00993
BindingDB Entry DOI: 10.7270/Q2DN48Q4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 13


(Homo sapiens (Human))
BDBM50558485
PNG
(CHEMBL4800195)
Show SMILES OS(=O)(=O)C(C(=O)Nc1ccc(cc1)-n1ccnc1)c1ccccc1
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TBA

Assay Description
Inhibition of His-tagged FAP1 (unknown origin) expressed in Escherichia coli BL21 cells using para-nitrophenyl phosphate as substrate incubated for 5...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00993
BindingDB Entry DOI: 10.7270/Q2DN48Q4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 13


(Homo sapiens (Human))
BDBM50607110
PNG
(CHEMBL5219519)
Show SMILES Cc1c(Br)cc(NC(=O)CS(O)(=O)=O)cc1Br
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01143
BindingDB Entry DOI: 10.7270/Q2BK1HGF
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 13


(Homo sapiens (Human))
BDBM50558488
PNG
(CHEMBL4794972)
Show SMILES Cc1c(Br)cc(NC(=O)C(c2ccccc2)S(O)(=O)=O)cc1Br
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01143
BindingDB Entry DOI: 10.7270/Q2BK1HGF
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 13


(Homo sapiens (Human))
BDBM50558484
PNG
(CHEMBL4748824)
Show SMILES OS(=O)(=O)C(C(=O)Nc1ccc(cc1)N1CCOCC1)c1ccccc1
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TBA

Assay Description
Inhibition of His-tagged FAP1 (unknown origin) expressed in Escherichia coli BL21 cells using para-nitrophenyl phosphate as substrate incubated for 5...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00993
BindingDB Entry DOI: 10.7270/Q2DN48Q4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 13


(Homo sapiens (Human))
BDBM50558483
PNG
(CHEMBL4778085)
Show SMILES OS(=O)(=O)C(C(=O)Nc1cnc2ccccc2c1)c1ccccc1
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TBA

Assay Description
Inhibition of His-tagged FAP1 (unknown origin) expressed in Escherichia coli BL21 cells using para-nitrophenyl phosphate as substrate incubated for 5...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00993
BindingDB Entry DOI: 10.7270/Q2DN48Q4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 13


(Homo sapiens (Human))
BDBM50558488
PNG
(CHEMBL4794972)
Show SMILES Cc1c(Br)cc(NC(=O)C(c2ccccc2)S(O)(=O)=O)cc1Br
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TBA

Assay Description
Inhibition of His-tagged FAP1 (unknown origin) expressed in Escherichia coli BL21 cells using para-nitrophenyl phosphate as substrate incubated for 5...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00993
BindingDB Entry DOI: 10.7270/Q2DN48Q4
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 13


(Homo sapiens (Human))
BDBM50558486
PNG
(CHEMBL4797766)
Show SMILES OS(=O)(=O)C(C(=O)Nc1ccc2nc([nH]c2c1)C(F)(F)F)c1ccccc1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged FAP1 (unknown origin) expressed in Escherichia coli BL21 cells using para-nitrophenyl phosphate as substrate incubated for 5...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00993
BindingDB Entry DOI: 10.7270/Q2DN48Q4
More data for this
Ligand-Target Pair