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PubMed code 25602637

Compile data set for download or QSAR
Found 27 hits of Enzyme Inhibition Constant Data   
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
Folate receptor alpha


(Homo sapiens (Human))
BDBM50306576
PNG
((S)-2-({5-[4-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo...)
Show SMILES Nc1nc2[nH]c(CCCCc3ccc(s3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r|
Show InChI InChI=1S/C20H23N5O6S/c21-20-24-16-12(17(28)25-20)9-10(22-16)3-1-2-4-11-5-7-14(32-11)18(29)23-13(19(30)31)6-8-15(26)27/h5,7,9,13H,1-4,6,8H2,(H,23,29)(H,26,27)(H,30,31)(H4,21,22,24,25,28)/t13-/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Binding affinity to human FRalpha expressed in Chinese hamster RT16 cells assessed as cell growth inhibition after 96 hrs by CellTiter-Blue assay


J Med Chem 58: 1479-93 (2015)


Article DOI: 10.1021/jm501787c
BindingDB Entry DOI: 10.7270/Q26W9CSQ
More data for this
Ligand-Target Pair
Glycinamide ribonucleotide formyltransferase (GARFTase)


(Homo sapiens (Human))
BDBM50306576
PNG
((S)-2-({5-[4-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo...)
Show SMILES Nc1nc2[nH]c(CCCCc3ccc(s3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r|
Show InChI InChI=1S/C20H23N5O6S/c21-20-24-16-12(17(28)25-20)9-10(22-16)3-1-2-4-11-5-7-14(32-11)18(29)23-13(19(30)31)6-8-15(26)27/h5,7,9,13H,1-4,6,8H2,(H,23,29)(H,26,27)(H,30,31)(H4,21,22,24,25,28)/t13-/m0/s1
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n/an/a 3.10n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of GARFTase in human KB cells expressing RFC/FRalpha/PCFT assessed as incorporation of [U-14C]-glycine into [14C]-formyl glycinamide ribon...


J Med Chem 58: 1479-93 (2015)


Article DOI: 10.1021/jm501787c
BindingDB Entry DOI: 10.7270/Q26W9CSQ
More data for this
Ligand-Target Pair
Glycinamide ribonucleotide formyltransferase (GARFTase)


(Homo sapiens (Human))
BDBM50027656
PNG
(CHEBI:63616 | LY-2315 | LY-231514 | PEMETREXED | U...)
Show SMILES Nc1nc2[nH]cc(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1
Show InChI InChI=1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of GARFTase in human KB cells expressing RFC/FRalpha/PCFT assessed as incorporation of [U-14C]-glycine into [14C]-formyl glycinamide ribon...


J Med Chem 58: 1479-93 (2015)


Article DOI: 10.1021/jm501787c
BindingDB Entry DOI: 10.7270/Q26W9CSQ
More data for this
Ligand-Target Pair
Proton-coupled folate transporter


(Homo sapiens (Human))
BDBM50027656
PNG
(CHEBI:63616 | LY-2315 | LY-231514 | PEMETREXED | U...)
Show SMILES Nc1nc2[nH]cc(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1
Show InChI InChI=1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Binding affinity to human PCFT expressed in Chinese hamster R2/PCFT4 cells assessed as cell growth inhibition after 96 hrs by CellTiter-Blue assay


J Med Chem 58: 1479-93 (2015)


Article DOI: 10.1021/jm501787c
BindingDB Entry DOI: 10.7270/Q26W9CSQ
More data for this
Ligand-Target Pair
Folate transporter 1


(Homo sapiens (Human))
BDBM50072403
PNG
(CHEMBL3409335)
Show SMILES Nc1nc2[nH]cc(CCCCc3ccc(s3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1 |r|
Show InChI InChI=1/C20H23N5O6S/c21-20-24-16-15(18(29)25-20)10(9-22-16)3-1-2-4-11-5-7-13(32-11)17(28)23-12(19(30)31)6-8-14(26)27/h5,7,9,12H,1-4,6,8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t12-/s2
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n/an/a 38n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Binding affinity to human RFC expressed in Chinese hamster PC43-10 cells assessed as cell growth inhibition after 96 hrs by CellTiter-Blue assay


J Med Chem 58: 1479-93 (2015)


Article DOI: 10.1021/jm501787c
BindingDB Entry DOI: 10.7270/Q26W9CSQ
More data for this
Ligand-Target Pair
Folate receptor alpha


(Homo sapiens (Human))
BDBM50027656
PNG
(CHEBI:63616 | LY-2315 | LY-231514 | PEMETREXED | U...)
Show SMILES Nc1nc2[nH]cc(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1
Show InChI InChI=1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/m0/s1
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n/an/a 42n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Binding affinity to human FRalpha expressed in Chinese hamster RT16 cells assessed as cell growth inhibition after 96 hrs by CellTiter-Blue assay


J Med Chem 58: 1479-93 (2015)


Article DOI: 10.1021/jm501787c
BindingDB Entry DOI: 10.7270/Q26W9CSQ
More data for this
Ligand-Target Pair
Proton-coupled folate transporter


(Homo sapiens (Human))
BDBM50306576
PNG
((S)-2-({5-[4-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo...)
Show SMILES Nc1nc2[nH]c(CCCCc3ccc(s3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r|
Show InChI InChI=1S/C20H23N5O6S/c21-20-24-16-12(17(28)25-20)9-10(22-16)3-1-2-4-11-5-7-14(32-11)18(29)23-13(19(30)31)6-8-15(26)27/h5,7,9,13H,1-4,6,8H2,(H,23,29)(H,26,27)(H,30,31)(H4,21,22,24,25,28)/t13-/m0/s1
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n/an/a 43n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Binding affinity to human PCFT expressed in Chinese hamster R2/PCFT4 cells assessed as cell growth inhibition after 96 hrs by CellTiter-Blue assay


J Med Chem 58: 1479-93 (2015)


Article DOI: 10.1021/jm501787c
BindingDB Entry DOI: 10.7270/Q26W9CSQ
More data for this
Ligand-Target Pair
Folate receptor alpha


(Homo sapiens (Human))
BDBM50072404
PNG
(CHEMBL3409336)
Show SMILES Nc1nc2[nH]cc(CCCCCc3ccc(s3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1 |r|
Show InChI InChI=1/C21H25N5O6S/c22-21-25-17-16(19(30)26-21)11(10-23-17)4-2-1-3-5-12-6-8-14(33-12)18(29)24-13(20(31)32)7-9-15(27)28/h6,8,10,13H,1-5,7,9H2,(H,24,29)(H,27,28)(H,31,32)(H4,22,23,25,26,30)/t13-/s2
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n/an/a 46n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Binding affinity to human FRalpha expressed in Chinese hamster RT16 cells assessed as cell growth inhibition after 96 hrs by CellTiter-Blue assay


J Med Chem 58: 1479-93 (2015)


Article DOI: 10.1021/jm501787c
BindingDB Entry DOI: 10.7270/Q26W9CSQ
More data for this
Ligand-Target Pair
Folate receptor alpha


(Homo sapiens (Human))
BDBM50072403
PNG
(CHEMBL3409335)
Show SMILES Nc1nc2[nH]cc(CCCCc3ccc(s3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1 |r|
Show InChI InChI=1/C20H23N5O6S/c21-20-24-16-15(18(29)25-20)10(9-22-16)3-1-2-4-11-5-7-13(32-11)17(28)23-12(19(30)31)6-8-14(26)27/h5,7,9,12H,1-4,6,8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t12-/s2
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n/an/a 49n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Binding affinity to human FRalpha expressed in Chinese hamster RT16 cells assessed as cell growth inhibition after 96 hrs by CellTiter-Blue assay


J Med Chem 58: 1479-93 (2015)


Article DOI: 10.1021/jm501787c
BindingDB Entry DOI: 10.7270/Q26W9CSQ
More data for this
Ligand-Target Pair
Proton-coupled folate transporter


(Homo sapiens (Human))
BDBM50072404
PNG
(CHEMBL3409336)
Show SMILES Nc1nc2[nH]cc(CCCCCc3ccc(s3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1 |r|
Show InChI InChI=1/C21H25N5O6S/c22-21-25-17-16(19(30)26-21)11(10-23-17)4-2-1-3-5-12-6-8-14(33-12)18(29)24-13(20(31)32)7-9-15(27)28/h6,8,10,13H,1-5,7,9H2,(H,24,29)(H,27,28)(H,31,32)(H4,22,23,25,26,30)/t13-/s2
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n/an/a 57n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Binding affinity to human PCFT expressed in Chinese hamster R2/PCFT4 cells assessed as cell growth inhibition after 96 hrs by CellTiter-Blue assay


J Med Chem 58: 1479-93 (2015)


Article DOI: 10.1021/jm501787c
BindingDB Entry DOI: 10.7270/Q26W9CSQ
More data for this
Ligand-Target Pair
Folate transporter 1


(Homo sapiens (Human))
BDBM50072399
PNG
(CHEMBL3407519)
Show SMILES Nc1nc2[nH]cc(CCc3ccc(s3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1 |r|
Show InChI InChI=1/C18H19N5O6S/c19-18-22-14-13(16(27)23-18)8(7-20-14)1-2-9-3-5-11(30-9)15(26)21-10(17(28)29)4-6-12(24)25/h3,5,7,10H,1-2,4,6H2,(H,21,26)(H,24,25)(H,28,29)(H4,19,20,22,23,27)/t10-/s2
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n/an/a 60n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Binding affinity to human RFC expressed in Chinese hamster PC43-10 cells assessed as cell growth inhibition after 96 hrs by CellTiter-Blue assay


J Med Chem 58: 1479-93 (2015)


Article DOI: 10.1021/jm501787c
BindingDB Entry DOI: 10.7270/Q26W9CSQ
More data for this
Ligand-Target Pair
Glycinamide ribonucleotide formyltransferase (GARFTase)


(Homo sapiens (Human))
BDBM50072403
PNG
(CHEMBL3409335)
Show SMILES Nc1nc2[nH]cc(CCCCc3ccc(s3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1 |r|
Show InChI InChI=1/C20H23N5O6S/c21-20-24-16-15(18(29)25-20)10(9-22-16)3-1-2-4-11-5-7-13(32-11)17(28)23-12(19(30)31)6-8-14(26)27/h5,7,9,12H,1-4,6,8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t12-/s2
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n/an/a 61n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of GARFTase in human KB cells expressing RFC/FRalpha/PCFT assessed as incorporation of [U-14C]-glycine into [14C]-formyl glycinamide ribon...


J Med Chem 58: 1479-93 (2015)


Article DOI: 10.1021/jm501787c
BindingDB Entry DOI: 10.7270/Q26W9CSQ
More data for this
Ligand-Target Pair
Proton-coupled folate transporter


(Homo sapiens (Human))
BDBM50072399
PNG
(CHEMBL3407519)
Show SMILES Nc1nc2[nH]cc(CCc3ccc(s3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1 |r|
Show InChI InChI=1/C18H19N5O6S/c19-18-22-14-13(16(27)23-18)8(7-20-14)1-2-9-3-5-11(30-9)15(26)21-10(17(28)29)4-6-12(24)25/h3,5,7,10H,1-2,4,6H2,(H,21,26)(H,24,25)(H,28,29)(H4,19,20,22,23,27)/t10-/s2
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n/an/a 80n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Binding affinity to human PCFT expressed in Chinese hamster R2/PCFT4 cells assessed as cell growth inhibition after 96 hrs by CellTiter-Blue assay


J Med Chem 58: 1479-93 (2015)


Article DOI: 10.1021/jm501787c
BindingDB Entry DOI: 10.7270/Q26W9CSQ
More data for this
Ligand-Target Pair
Folate receptor alpha


(Homo sapiens (Human))
BDBM50072401
PNG
(CHEMBL3409334)
Show SMILES Nc1nc2[nH]cc(CCCc3ccc(s3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1 |r|
Show InChI InChI=1/C19H21N5O6S/c20-19-23-15-14(17(28)24-19)9(8-21-15)2-1-3-10-4-6-12(31-10)16(27)22-11(18(29)30)5-7-13(25)26/h4,6,8,11H,1-3,5,7H2,(H,22,27)(H,25,26)(H,29,30)(H4,20,21,23,24,28)/t11-/s2
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n/an/a 109n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Binding affinity to human FRalpha expressed in Chinese hamster RT16 cells assessed as cell growth inhibition after 96 hrs by CellTiter-Blue assay


J Med Chem 58: 1479-93 (2015)


Article DOI: 10.1021/jm501787c
BindingDB Entry DOI: 10.7270/Q26W9CSQ
More data for this
Ligand-Target Pair
Folate transporter 1


(Homo sapiens (Human))
BDBM50072401
PNG
(CHEMBL3409334)
Show SMILES Nc1nc2[nH]cc(CCCc3ccc(s3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1 |r|
Show InChI InChI=1/C19H21N5O6S/c20-19-23-15-14(17(28)24-19)9(8-21-15)2-1-3-10-4-6-12(31-10)16(27)22-11(18(29)30)5-7-13(25)26/h4,6,8,11H,1-3,5,7H2,(H,22,27)(H,25,26)(H,29,30)(H4,20,21,23,24,28)/t11-/s2
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n/an/a 116n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Binding affinity to human RFC expressed in Chinese hamster PC43-10 cells assessed as cell growth inhibition after 96 hrs by CellTiter-Blue assay


J Med Chem 58: 1479-93 (2015)


Article DOI: 10.1021/jm501787c
BindingDB Entry DOI: 10.7270/Q26W9CSQ
More data for this
Ligand-Target Pair
Folate transporter 1


(Homo sapiens (Human))
BDBM50027656
PNG
(CHEBI:63616 | LY-2315 | LY-231514 | PEMETREXED | U...)
Show SMILES Nc1nc2[nH]cc(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1
Show InChI InChI=1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/m0/s1
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n/an/a 138n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Binding affinity to human RFC expressed in Chinese hamster PC43-10 cells assessed as cell growth inhibition after 96 hrs by CellTiter-Blue assay


J Med Chem 58: 1479-93 (2015)


Article DOI: 10.1021/jm501787c
BindingDB Entry DOI: 10.7270/Q26W9CSQ
More data for this
Ligand-Target Pair
Proton-coupled folate transporter


(Homo sapiens (Human))
BDBM50072403
PNG
(CHEMBL3409335)
Show SMILES Nc1nc2[nH]cc(CCCCc3ccc(s3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1 |r|
Show InChI InChI=1/C20H23N5O6S/c21-20-24-16-15(18(29)25-20)10(9-22-16)3-1-2-4-11-5-7-13(32-11)17(28)23-12(19(30)31)6-8-14(26)27/h5,7,9,12H,1-4,6,8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t12-/s2
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n/an/a 141n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Binding affinity to human PCFT expressed in Chinese hamster R2/PCFT4 cells assessed as cell growth inhibition after 96 hrs by CellTiter-Blue assay


J Med Chem 58: 1479-93 (2015)


Article DOI: 10.1021/jm501787c
BindingDB Entry DOI: 10.7270/Q26W9CSQ
More data for this
Ligand-Target Pair
Folate transporter 1


(Homo sapiens (Human))
BDBM50072404
PNG
(CHEMBL3409336)
Show SMILES Nc1nc2[nH]cc(CCCCCc3ccc(s3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1 |r|
Show InChI InChI=1/C21H25N5O6S/c22-21-25-17-16(19(30)26-21)11(10-23-17)4-2-1-3-5-12-6-8-14(33-12)18(29)24-13(20(31)32)7-9-15(27)28/h6,8,10,13H,1-5,7,9H2,(H,24,29)(H,27,28)(H,31,32)(H4,22,23,25,26,30)/t13-/s2
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n/an/a 243n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Binding affinity to human RFC expressed in Chinese hamster PC43-10 cells assessed as cell growth inhibition after 96 hrs by CellTiter-Blue assay


J Med Chem 58: 1479-93 (2015)


Article DOI: 10.1021/jm501787c
BindingDB Entry DOI: 10.7270/Q26W9CSQ
More data for this
Ligand-Target Pair
Proton-coupled folate transporter


(Homo sapiens (Human))
BDBM50072401
PNG
(CHEMBL3409334)
Show SMILES Nc1nc2[nH]cc(CCCc3ccc(s3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1 |r|
Show InChI InChI=1/C19H21N5O6S/c20-19-23-15-14(17(28)24-19)9(8-21-15)2-1-3-10-4-6-12(31-10)16(27)22-11(18(29)30)5-7-13(25)26/h4,6,8,11H,1-3,5,7H2,(H,22,27)(H,25,26)(H,29,30)(H4,20,21,23,24,28)/t11-/s2
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n/an/a 312n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Binding affinity to human PCFT expressed in Chinese hamster R2/PCFT4 cells assessed as cell growth inhibition after 96 hrs by CellTiter-Blue assay


J Med Chem 58: 1479-93 (2015)


Article DOI: 10.1021/jm501787c
BindingDB Entry DOI: 10.7270/Q26W9CSQ
More data for this
Ligand-Target Pair
Folate receptor alpha


(Homo sapiens (Human))
BDBM50072399
PNG
(CHEMBL3407519)
Show SMILES Nc1nc2[nH]cc(CCc3ccc(s3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1 |r|
Show InChI InChI=1/C18H19N5O6S/c19-18-22-14-13(16(27)23-18)8(7-20-14)1-2-9-3-5-11(30-9)15(26)21-10(17(28)29)4-6-12(24)25/h3,5,7,10H,1-2,4,6H2,(H,21,26)(H,24,25)(H,28,29)(H4,19,20,22,23,27)/t10-/s2
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n/an/a 550n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Binding affinity to human FRalpha expressed in Chinese hamster RT16 cells assessed as cell growth inhibition after 96 hrs by CellTiter-Blue assay


J Med Chem 58: 1479-93 (2015)


Article DOI: 10.1021/jm501787c
BindingDB Entry DOI: 10.7270/Q26W9CSQ
More data for this
Ligand-Target Pair
Folate transporter 1


(Homo sapiens (Human))
BDBM50072406
PNG
(CHEMBL3409337)
Show SMILES Nc1nc2[nH]cc(CCCCCCc3ccc(s3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1 |r|
Show InChI InChI=1/C22H27N5O6S/c23-22-26-18-17(20(31)27-22)12(11-24-18)5-3-1-2-4-6-13-7-9-15(34-13)19(30)25-14(21(32)33)8-10-16(28)29/h7,9,11,14H,1-6,8,10H2,(H,25,30)(H,28,29)(H,32,33)(H4,23,24,26,27,31)/t14-/s2
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n/an/a>1.00E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Binding affinity to human RFC expressed in Chinese hamster PC43-10 cells assessed as cell growth inhibition after 96 hrs by CellTiter-Blue assay


J Med Chem 58: 1479-93 (2015)


Article DOI: 10.1021/jm501787c
BindingDB Entry DOI: 10.7270/Q26W9CSQ
More data for this
Ligand-Target Pair
Proton-coupled folate transporter


(Homo sapiens (Human))
BDBM50072406
PNG
(CHEMBL3409337)
Show SMILES Nc1nc2[nH]cc(CCCCCCc3ccc(s3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1 |r|
Show InChI InChI=1/C22H27N5O6S/c23-22-26-18-17(20(31)27-22)12(11-24-18)5-3-1-2-4-6-13-7-9-15(34-13)19(30)25-14(21(32)33)8-10-16(28)29/h7,9,11,14H,1-6,8,10H2,(H,25,30)(H,28,29)(H,32,33)(H4,23,24,26,27,31)/t14-/s2
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n/an/a>1.00E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Binding affinity to human PCFT expressed in Chinese hamster R2/PCFT4 cells assessed as cell growth inhibition after 96 hrs by CellTiter-Blue assay


J Med Chem 58: 1479-93 (2015)


Article DOI: 10.1021/jm501787c
BindingDB Entry DOI: 10.7270/Q26W9CSQ
More data for this
Ligand-Target Pair
Folate receptor alpha


(Homo sapiens (Human))
BDBM50072406
PNG
(CHEMBL3409337)
Show SMILES Nc1nc2[nH]cc(CCCCCCc3ccc(s3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1 |r|
Show InChI InChI=1/C22H27N5O6S/c23-22-26-18-17(20(31)27-22)12(11-24-18)5-3-1-2-4-6-13-7-9-15(34-13)19(30)25-14(21(32)33)8-10-16(28)29/h7,9,11,14H,1-6,8,10H2,(H,25,30)(H,28,29)(H,32,33)(H4,23,24,26,27,31)/t14-/s2
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n/an/a>1.00E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Binding affinity to human FRalpha expressed in Chinese hamster RT16 cells assessed as cell growth inhibition after 96 hrs by CellTiter-Blue assay


J Med Chem 58: 1479-93 (2015)


Article DOI: 10.1021/jm501787c
BindingDB Entry DOI: 10.7270/Q26W9CSQ
More data for this
Ligand-Target Pair
Proton-coupled folate transporter


(Homo sapiens (Human))
BDBM50072398
PNG
(CHEMBL2426245)
Show SMILES Nc1nc2[nH]cc(Cc3ccc(s3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1 |r|
Show InChI InChI=1/C17H17N5O6S/c18-17-21-13-12(15(26)22-17)7(6-19-13)5-8-1-3-10(29-8)14(25)20-9(16(27)28)2-4-11(23)24/h1,3,6,9H,2,4-5H2,(H,20,25)(H,23,24)(H,27,28)(H4,18,19,21,22,26)/t9-/s2
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n/an/a>1.00E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Binding affinity to human PCFT expressed in Chinese hamster R2/PCFT4 cells assessed as cell growth inhibition after 96 hrs by CellTiter-Blue assay


J Med Chem 58: 1479-93 (2015)


Article DOI: 10.1021/jm501787c
BindingDB Entry DOI: 10.7270/Q26W9CSQ
More data for this
Ligand-Target Pair
Folate receptor alpha


(Homo sapiens (Human))
BDBM50072398
PNG
(CHEMBL2426245)
Show SMILES Nc1nc2[nH]cc(Cc3ccc(s3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1 |r|
Show InChI InChI=1/C17H17N5O6S/c18-17-21-13-12(15(26)22-17)7(6-19-13)5-8-1-3-10(29-8)14(25)20-9(16(27)28)2-4-11(23)24/h1,3,6,9H,2,4-5H2,(H,20,25)(H,23,24)(H,27,28)(H4,18,19,21,22,26)/t9-/s2
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n/an/a>1.00E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Binding affinity to human FRalpha expressed in Chinese hamster RT16 cells assessed as cell growth inhibition after 96 hrs by CellTiter-Blue assay


J Med Chem 58: 1479-93 (2015)


Article DOI: 10.1021/jm501787c
BindingDB Entry DOI: 10.7270/Q26W9CSQ
More data for this
Ligand-Target Pair
Folate transporter 1


(Homo sapiens (Human))
BDBM50072398
PNG
(CHEMBL2426245)
Show SMILES Nc1nc2[nH]cc(Cc3ccc(s3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1 |r|
Show InChI InChI=1/C17H17N5O6S/c18-17-21-13-12(15(26)22-17)7(6-19-13)5-8-1-3-10(29-8)14(25)20-9(16(27)28)2-4-11(23)24/h1,3,6,9H,2,4-5H2,(H,20,25)(H,23,24)(H,27,28)(H4,18,19,21,22,26)/t9-/s2
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n/an/a>1.00E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Binding affinity to human RFC expressed in Chinese hamster PC43-10 cells assessed as cell growth inhibition after 96 hrs by CellTiter-Blue assay


J Med Chem 58: 1479-93 (2015)


Article DOI: 10.1021/jm501787c
BindingDB Entry DOI: 10.7270/Q26W9CSQ
More data for this
Ligand-Target Pair
Folate transporter 1


(Homo sapiens (Human))
BDBM50306576
PNG
((S)-2-({5-[4-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo...)
Show SMILES Nc1nc2[nH]c(CCCCc3ccc(s3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r|
Show InChI InChI=1S/C20H23N5O6S/c21-20-24-16-12(17(28)25-20)9-10(22-16)3-1-2-4-11-5-7-14(32-11)18(29)23-13(19(30)31)6-8-15(26)27/h5,7,9,13H,1-4,6,8H2,(H,23,29)(H,26,27)(H,30,31)(H4,21,22,24,25,28)/t13-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Binding affinity to human RFC expressed in Chinese hamster PC43-10 cells assessed as cell growth inhibition after 96 hrs by CellTiter-Blue assay


J Med Chem 58: 1479-93 (2015)


Article DOI: 10.1021/jm501787c
BindingDB Entry DOI: 10.7270/Q26W9CSQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%