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Compile Data Set for Download or QSAR

Found 89 hits Enz. Inhib. hit(s) with Target = 'Folate receptor beta' AND taxid = 9606   
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 beta


(Homo sapiens (Human))		BDBM50126174
PNG
(CHEMBL3628346)
Show SMILES Nc1nc2[nH]c(CCCc3cc(cs3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r|
Show InChI InChI=1S/C19H21N5O6S/c20-19-23-15-12(17(28)24-19)7-10(21-15)2-1-3-11-6-9(8-31-11)16(27)22-13(18(29)30)4-5-14(25)26/h6-8,13H,1-5H2,(H,22,27)(H,25,26)(H,29,30)(H4,20,21,23,24,28)/t13-/m0/s1
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n/an/a 0.100n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Binding affinity to human FRbeta expressed in Chinese hamster D4 cells assessed as cell growth inhibition after 96 hrs by CellTiter-Blue assay

J Med Chem 58: 6938-59 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00801
BindingDB Entry DOI: 10.7270/Q2QJ7K3P
More data for this
Ligand-Target Pair
Folate receptor beta


(Homo sapiens (Human))		BDBM50354833
PNG
(AGF94 | CHEMBL1834488)
Show SMILES Nc1nc2[nH]c(CCCc3ccc(s3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r|
Show InChI InChI=1S/C19H21N5O6S/c20-19-23-15-11(16(27)24-19)8-9(21-15)2-1-3-10-4-6-13(31-10)17(28)22-12(18(29)30)5-7-14(25)26/h4,6,8,12H,1-3,5,7H2,(H,22,28)(H,25,26)(H,29,30)(H4,20,21,23,24,27)/t12-/m0/s1
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n/an/a 0.160n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Binding affinity to human FRbeta expressed in Chinese hamster D4 cells assessed as antiproliferative activity measured as reduction in cell growth af...

J Med Chem 61: 4228-4248 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00408
BindingDB Entry DOI: 10.7270/Q2M048QF
More data for this
Ligand-Target Pair
Folate receptor beta


(Homo sapiens (Human))		BDBM50354833
PNG
(AGF94 | CHEMBL1834488)
Show SMILES Nc1nc2[nH]c(CCCc3ccc(s3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r|
Show InChI InChI=1S/C19H21N5O6S/c20-19-23-15-11(16(27)24-19)8-9(21-15)2-1-3-10-4-6-13(31-10)17(28)22-12(18(29)30)5-7-14(25)26/h4,6,8,12H,1-3,5,7H2,(H,22,28)(H,25,26)(H,29,30)(H4,20,21,23,24,27)/t12-/m0/s1
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n/an/a 0.170n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Binding affinity to human FRbeta expressed in Chinese hamster D4 cells assessed as cell growth inhibition after 96 hrs by CellTiter-Blue assay

J Med Chem 58: 6938-59 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00801
BindingDB Entry DOI: 10.7270/Q2QJ7K3P
More data for this
Ligand-Target Pair
Folate receptor beta


(Homo sapiens (Human))		BDBM50354833
PNG
(AGF94 | CHEMBL1834488)
Show SMILES Nc1nc2[nH]c(CCCc3ccc(s3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r|
Show InChI InChI=1S/C19H21N5O6S/c20-19-23-15-11(16(27)24-19)8-9(21-15)2-1-3-10-4-6-13(31-10)17(28)22-12(18(29)30)5-7-14(25)26/h4,6,8,12H,1-3,5,7H2,(H,22,28)(H,25,26)(H,29,30)(H4,20,21,23,24,27)/t12-/m0/s1
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n/an/a 0.170n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of FRbeta (unknown origin) expressed in Chinese hamster D4 cells assessed as cell growth inhibition incubated up to 96 hrs by Celltiter-bl...

J Med Chem 57: 8152-66 (2014)


Article DOI: 10.1021/jm501113m
BindingDB Entry DOI: 10.7270/Q2F47QQS
More data for this
Ligand-Target Pair
Folate receptor beta


(Homo sapiens (Human))		BDBM50503240
PNG
(CHEMBL4445651)
Show SMILES Nc1nc2[nH]c(CCCc3csc(C(=O)N[C@@H](CCC(O)=O)C(O)=O)c3F)cc2c(=O)[nH]1 |r|
Show InChI InChI=1S/C19H20FN5O6S/c20-13-8(2-1-3-9-6-10-15(22-9)24-19(21)25-16(10)28)7-32-14(13)17(29)23-11(18(30)31)4-5-12(26)27/h6-7,11H,1-5H2,(H,23,29)(H,26,27)(H,30,31)(H4,21,22,24,25,28)/t11-/m0/s1
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n/an/a 0.190n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Binding affinity to human FRbeta expressed in Chinese hamster D4 cells assessed as antiproliferative activity measured as reduction in cell growth af...

J Med Chem 61: 4228-4248 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00408
BindingDB Entry DOI: 10.7270/Q2M048QF
More data for this
Ligand-Target Pair
Folate receptor beta


(Homo sapiens (Human))		BDBM50557569
PNG
(CHEMBL4759798)
Show SMILES Nc1nc2sc(CCCc3csc(c3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r|
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n/an/a 0.240n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human FRbeta expressed in Chinese Hamster MTXRII-OuaR2-4 R2 cells assessed as reduction in cell proliferation after 96 hrs by CellTiter...

Citation and Details

Article DOI: 10.1016/j.bmc.2021.116093
BindingDB Entry DOI: 10.7270/Q2RF5ZQT
More data for this
Ligand-Target Pair
Folate receptor beta


(Homo sapiens (Human))		BDBM50126172
PNG
(CHEMBL3628344)
Show SMILES Nc1nc2[nH]c(CCCc3csc(c3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r|
Show InChI InChI=1S/C19H21N5O6S/c20-19-23-15-11(16(27)24-19)7-10(21-15)3-1-2-9-6-13(31-8-9)17(28)22-12(18(29)30)4-5-14(25)26/h6-8,12H,1-5H2,(H,22,28)(H,25,26)(H,29,30)(H4,20,21,23,24,27)/t12-/m0/s1
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n/an/a 0.340n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Binding affinity to human FRbeta expressed in Chinese hamster D4 cells assessed as cell growth inhibition after 96 hrs by CellTiter-Blue assay

J Med Chem 58: 6938-59 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00801
BindingDB Entry DOI: 10.7270/Q2QJ7K3P
More data for this
Ligand-Target Pair
Folate receptor beta


(Homo sapiens (Human))		BDBM50126172
PNG
(CHEMBL3628344)
Show SMILES Nc1nc2[nH]c(CCCc3csc(c3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r|
Show InChI InChI=1S/C19H21N5O6S/c20-19-23-15-11(16(27)24-19)7-10(21-15)3-1-2-9-6-13(31-8-9)17(28)22-12(18(29)30)4-5-14(25)26/h6-8,12H,1-5H2,(H,22,28)(H,25,26)(H,29,30)(H4,20,21,23,24,27)/t12-/m0/s1
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n/an/a 0.340n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Binding affinity to human FRbeta expressed in Chinese hamster D4 cells assessed as antiproliferative activity measured as reduction in cell growth af...

J Med Chem 61: 4228-4248 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00408
BindingDB Entry DOI: 10.7270/Q2M048QF
More data for this
Ligand-Target Pair
Folate receptor beta


(Homo sapiens (Human))		BDBM50534428
PNG
(CHEMBL4467936)
Show SMILES Nc1nc2[nH]c(CCSc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r|
Show InChI InChI=1S/C20H21N5O6S/c21-20-24-16-13(18(29)25-20)9-11(22-16)7-8-32-12-3-1-10(2-4-12)17(28)23-14(19(30)31)5-6-15(26)27/h1-4,9,14H,5-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t14-/m0/s1
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n/an/a 0.340n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of human FR-beta receptor expressed in Chinese hamster D4 cells assessed as antiproliferative activity measured as reduction in cell viabi...

J Med Chem 59: 7856-76 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00594
BindingDB Entry DOI: 10.7270/Q2NG4V5F
More data for this
Ligand-Target Pair
Folate receptor beta


(Homo sapiens (Human))		BDBM50393640
PNG
(CHEMBL2158681)
Show SMILES Nc1nc2[nH]c(CCCCc3csc(c3)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)8-11(22-16)4-2-1-3-10-7-14(32-9-10)18(29)23-13(19(30)31)5-6-15(26)27/h7-9,13H,1-6H2,(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 0.430n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Binding affinity to human FRbeta expressed in Chinese hamster D4 cells assessed as antiproliferative activity measured as reduction in cell growth af...

J Med Chem 61: 4228-4248 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00408
BindingDB Entry DOI: 10.7270/Q2M048QF
More data for this
Ligand-Target Pair
Folate receptor beta


(Homo sapiens (Human))		BDBM50503239
PNG
(CHEMBL4557278)
Show SMILES Nc1nc2[nH]c(CCCCc3cnc(C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(F)c3)cc2c(=O)[nH]1 |r|
Show InChI InChI=1S/C21H23FN6O6/c22-13-7-10(9-24-16(13)19(32)26-14(20(33)34)5-6-15(29)30)3-1-2-4-11-8-12-17(25-11)27-21(23)28-18(12)31/h7-9,14H,1-6H2,(H,26,32)(H,29,30)(H,33,34)(H4,23,25,27,28,31)/t14-/m0/s1
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n/an/a 0.440n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Binding affinity to human FRbeta expressed in Chinese hamster D4 cells assessed as antiproliferative activity measured as reduction in cell growth af...

J Med Chem 61: 4228-4248 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00408
BindingDB Entry DOI: 10.7270/Q2M048QF
More data for this
Ligand-Target Pair
Folate receptor beta


(Homo sapiens (Human))		BDBM50534426
PNG
(CHEMBL4553188)
Show SMILES Nc1nc2[nH]c(CCN(C(=O)C(F)(F)F)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r|
Show InChI InChI=1S/C22H21F3N6O7/c23-22(24,25)20(38)31(8-7-11-9-13-16(27-11)29-21(26)30-18(13)35)12-3-1-10(2-4-12)17(34)28-14(19(36)37)5-6-15(32)33/h1-4,9,14H,5-8H2,(H,28,34)(H,32,33)(H,36,37)(H4,26,27,29,30,35)/t14-/m0/s1
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n/an/a 0.450n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of human FR-beta receptor expressed in Chinese hamster D4 cells assessed as antiproliferative activity measured as reduction in cell viabi...

J Med Chem 59: 7856-76 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00594
BindingDB Entry DOI: 10.7270/Q2NG4V5F
More data for this
Ligand-Target Pair
Folate receptor beta


(Homo sapiens (Human))		BDBM50457435
PNG
(CHEMBL4214638)
Show SMILES Nc1nc2[nH]c(CCCCc3ccc(nc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r|
Show InChI InChI=1S/C21H24N6O6/c22-21-26-17-13(18(30)27-21)9-12(24-17)4-2-1-3-11-5-6-14(23-10-11)19(31)25-15(20(32)33)7-8-16(28)29/h5-6,9-10,15H,1-4,7-8H2,(H,25,31)(H,28,29)(H,32,33)(H4,22,24,26,27,30)/t15-/m0/s1
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n/an/a 0.510n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Binding affinity to human FRbeta expressed in Chinese hamster D4 cells assessed as antiproliferative activity measured as reduction in cell growth af...

J Med Chem 61: 4228-4248 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00408
BindingDB Entry DOI: 10.7270/Q2M048QF
More data for this
Ligand-Target Pair
Folate receptor beta


(Homo sapiens (Human))		BDBM50534430
PNG
(CHEMBL4471269)
Show SMILES Nc1nc2[nH]c(CCN(C=O)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r|
Show InChI InChI=1S/C21H22N6O7/c22-21-25-17-14(19(32)26-21)9-12(23-17)7-8-27(10-28)13-3-1-11(2-4-13)18(31)24-15(20(33)34)5-6-16(29)30/h1-4,9-10,15H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,22,23,25,26,32)/t15-/m0/s1
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n/an/a 0.530n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of human FR-beta receptor expressed in Chinese hamster D4 cells assessed as antiproliferative activity measured as reduction in cell viabi...

J Med Chem 59: 7856-76 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00594
BindingDB Entry DOI: 10.7270/Q2NG4V5F
More data for this
Ligand-Target Pair
Folate receptor beta


(Homo sapiens (Human))		BDBM50571075
PNG
(CHEMBL4852455)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)CC[C@H](NC(=O)c1ccc(NCc2cnc3nc(N)[nH]c(=O)c3n2)cc1)C(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CS)C(O)=O |r|
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n/an/a 0.560n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-folic acid from FRbeta (unknown origin) expressed in mouse RAW264.7 cells after 1 hr

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128091
BindingDB Entry DOI: 10.7270/Q2251NZR
More data for this
Ligand-Target Pair
Folate receptor beta


(Homo sapiens (Human))		BDBM50457435
PNG
(CHEMBL4214638)
Show SMILES Nc1nc2[nH]c(CCCCc3ccc(nc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r|
Show InChI InChI=1S/C21H24N6O6/c22-21-26-17-13(18(30)27-21)9-12(24-17)4-2-1-3-11-5-6-14(23-10-11)19(31)25-15(20(32)33)7-8-16(28)29/h5-6,9-10,15H,1-4,7-8H2,(H,25,31)(H,28,29)(H,32,33)(H4,22,24,26,27,30)/t15-/m0/s1
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n/an/a 0.580n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Binding affinity to human FR-beta receptor expressed in Chinese hamster D4 cells assessed as antiproliferative activity measured as reduction in cell...

J Med Chem 61: 2027-2040 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01708
BindingDB Entry DOI: 10.7270/Q2ST7SF1
More data for this
Ligand-Target Pair
Folate receptor beta


(Homo sapiens (Human))		BDBM50534427
PNG
(CHEMBL4437824)
Show SMILES Nc1nc2[nH]c(CCNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r|
Show InChI InChI=1S/C20H22N6O6/c21-20-25-16-13(18(30)26-20)9-12(23-16)7-8-22-11-3-1-10(2-4-11)17(29)24-14(19(31)32)5-6-15(27)28/h1-4,9,14,22H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,21,23,25,26,30)/t14-/m0/s1
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n/an/a 0.620n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of human FR-beta receptor expressed in Chinese hamster D4 cells assessed as antiproliferative activity measured as reduction in cell viabi...

J Med Chem 59: 7856-76 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00594
BindingDB Entry DOI: 10.7270/Q2NG4V5F
More data for this
Ligand-Target Pair
Folate receptor beta


(Homo sapiens (Human))		BDBM50557570
PNG
(CHEMBL4761741)
Show SMILES Nc1nc2sc(CCCc3cc(cs3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r|
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n/an/a 0.720n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human FRbeta expressed in Chinese Hamster MTXRII-OuaR2-4 R2 cells assessed as reduction in cell proliferation after 96 hrs by CellTiter...

Citation and Details

Article DOI: 10.1016/j.bmc.2021.116093
BindingDB Entry DOI: 10.7270/Q2RF5ZQT
More data for this
Ligand-Target Pair
Folate receptor beta


(Homo sapiens (Human))		BDBM50503238
PNG
(CHEMBL4465095)
Show SMILES Nc1nc2[nH]c(CCCCc3csc(C(=O)N[C@@H](CCC(O)=O)C(O)=O)c3F)cc2c(=O)[nH]1 |r|
Show InChI InChI=1S/C20H22FN5O6S/c21-14-9(8-33-15(14)18(30)24-12(19(31)32)5-6-13(27)28)3-1-2-4-10-7-11-16(23-10)25-20(22)26-17(11)29/h7-8,12H,1-6H2,(H,24,30)(H,27,28)(H,31,32)(H4,22,23,25,26,29)/t12-/m0/s1
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n/an/a 0.75n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Binding affinity to human FRbeta expressed in Chinese hamster D4 cells assessed as antiproliferative activity measured as reduction in cell growth af...

J Med Chem 61: 4228-4248 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00408
BindingDB Entry DOI: 10.7270/Q2M048QF
More data for this
Ligand-Target Pair
Folate receptor beta


(Homo sapiens (Human))		BDBM50503241
PNG
(CHEMBL4441626)
Show SMILES Nc1nc2[nH]c(CCCCc3ccc(cc3F)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r|
Show InChI InChI=1S/C22H24FN5O6/c23-15-9-12(19(31)26-16(21(33)34)7-8-17(29)30)6-5-11(15)3-1-2-4-13-10-14-18(25-13)27-22(24)28-20(14)32/h5-6,9-10,16H,1-4,7-8H2,(H,26,31)(H,29,30)(H,33,34)(H4,24,25,27,28,32)/t16-/m0/s1
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n/an/a 0.930n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Binding affinity to human FRbeta expressed in Chinese hamster D4 cells assessed as antiproliferative activity measured as reduction in cell growth af...

J Med Chem 61: 4228-4248 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00408
BindingDB Entry DOI: 10.7270/Q2M048QF
More data for this
Ligand-Target Pair
Folate receptor beta


(Homo sapiens (Human))		BDBM50557564
PNG
(CHEMBL4783397)
Show SMILES Nc1nc2sc(CCCCc3cc(cs3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r|
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n/an/a 1.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human FRbeta expressed in Chinese Hamster MTXRII-OuaR2-4 R2 cells assessed as reduction in cell proliferation after 96 hrs by CellTiter...

Citation and Details

Article DOI: 10.1016/j.bmc.2021.116093
BindingDB Entry DOI: 10.7270/Q2RF5ZQT
More data for this
Ligand-Target Pair
Folate receptor beta


(Homo sapiens (Human))		BDBM50571074
PNG
(CHEMBL4866304)
Show SMILES [H][C@]12C[C@@]3([H])OC(=O)\C=C/C=C/C(=O)OCC[C@@H](C)[C@H](OC(=O)OCCSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)CC[C@H](NC(=O)c4ccc(NCc5cnc6nc(N)[nH]c(=O)c6n5)cc4)C(O)=O)C(O)=O)C(=O)OC[C@@]4(CCC(C)=C[C@@]4([H])O1)[C@]3(C)[C@]21CO1 |r,c:8,111,t:10,THB:116:115:110.104.112:3.2,117:115:110.104.112:3.2|
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n/an/a 1.5n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-folic acid from FRbeta (unknown origin) expressed in mouse RAW264.7 cells after 1 hr

Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128091
BindingDB Entry DOI: 10.7270/Q2251NZR
More data for this
Ligand-Target Pair
Folate receptor beta


(Homo sapiens (Human))		BDBM50503237
PNG
(CHEMBL4540298)
Show SMILES Nc1nc2[nH]c(CCCCc3ccc(C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(F)c3)cc2c(=O)[nH]1 |r|
Show InChI InChI=1S/C22H24FN5O6/c23-15-9-11(5-6-13(15)19(31)26-16(21(33)34)7-8-17(29)30)3-1-2-4-12-10-14-18(25-12)27-22(24)28-20(14)32/h5-6,9-10,16H,1-4,7-8H2,(H,26,31)(H,29,30)(H,33,34)(H4,24,25,27,28,32)/t16-/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Binding affinity to human FRbeta expressed in Chinese hamster D4 cells assessed as antiproliferative activity measured as reduction in cell growth af...

J Med Chem 61: 4228-4248 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00408
BindingDB Entry DOI: 10.7270/Q2M048QF
More data for this
Ligand-Target Pair
Folate receptor beta


(Homo sapiens (Human))		BDBM50534429
PNG
(CHEMBL4444011)
Show SMILES CC(=O)N(CCc1cc2c(nc(N)[nH]c2=O)[nH]1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C22H24N6O7/c1-11(29)28(9-8-13-10-15-18(24-13)26-22(23)27-20(15)33)14-4-2-12(3-5-14)19(32)25-16(21(34)35)6-7-17(30)31/h2-5,10,16H,6-9H2,1H3,(H,25,32)(H,30,31)(H,34,35)(H4,23,24,26,27,33)/t16-/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of human FR-beta receptor expressed in Chinese hamster D4 cells assessed as antiproliferative activity measured as reduction in cell viabi...

J Med Chem 59: 7856-76 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00594
BindingDB Entry DOI: 10.7270/Q2NG4V5F
More data for this
Ligand-Target Pair
Folate receptor beta


(Homo sapiens (Human))		BDBM50557566
PNG
(CHEMBL4741259)
Show SMILES Nc1nc2sc(CCCCc3ccc(s3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r|
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n/an/a 1.70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human FRbeta expressed in Chinese Hamster MTXRII-OuaR2-4 R2 cells assessed as reduction in cell proliferation after 96 hrs by CellTiter...

Citation and Details

Article DOI: 10.1016/j.bmc.2021.116093
BindingDB Entry DOI: 10.7270/Q2RF5ZQT
More data for this
Ligand-Target Pair
Folate receptor beta


(Homo sapiens (Human))		BDBM50557568
PNG
(CHEMBL4790375)
Show SMILES Nc1nc2sc(CCCc3ccc(s3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r|
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n/an/a 1.80n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human FRbeta expressed in Chinese Hamster MTXRII-OuaR2-4 R2 cells assessed as reduction in cell proliferation after 96 hrs by CellTiter...

Citation and Details

Article DOI: 10.1016/j.bmc.2021.116093
BindingDB Entry DOI: 10.7270/Q2RF5ZQT
More data for this
Ligand-Target Pair
Folate receptor beta


(Homo sapiens (Human))		BDBM50557567
PNG
(CHEMBL4789686)
Show SMILES Nc1nc2sc(CCCCc3ccc(o3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r|
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n/an/a 2.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human FRbeta expressed in Chinese Hamster MTXRII-OuaR2-4 R2 cells assessed as reduction in cell proliferation after 96 hrs by CellTiter...

Citation and Details

Article DOI: 10.1016/j.bmc.2021.116093
BindingDB Entry DOI: 10.7270/Q2RF5ZQT
More data for this
Ligand-Target Pair
Folate receptor beta


(Homo sapiens (Human))		BDBM50534431
PNG
(CHEMBL4447805)
Show SMILES Nc1nc2[nH]c(CCOc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r|
Show InChI InChI=1S/C20H21N5O7/c21-20-24-16-13(18(29)25-20)9-11(22-16)7-8-32-12-3-1-10(2-4-12)17(28)23-14(19(30)31)5-6-15(26)27/h1-4,9,14H,5-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t14-/m0/s1
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n/an/a 2.60n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of human FR-beta receptor expressed in Chinese hamster D4 cells assessed as antiproliferative activity measured as reduction in cell viabi...

J Med Chem 59: 7856-76 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00594
BindingDB Entry DOI: 10.7270/Q2NG4V5F
More data for this
Ligand-Target Pair
Folate receptor beta


(Homo sapiens (Human))		BDBM50503238
PNG
(CHEMBL4465095)
Show SMILES Nc1nc2[nH]c(CCCCc3csc(C(=O)N[C@@H](CCC(O)=O)C(O)=O)c3F)cc2c(=O)[nH]1 |r|
Show InChI InChI=1S/C20H22FN5O6S/c21-14-9(8-33-15(14)18(30)24-12(19(31)32)5-6-13(27)28)3-1-2-4-10-7-11-16(23-10)25-20(22)26-17(11)29/h7-8,12H,1-6H2,(H,24,30)(H,27,28)(H,31,32)(H4,22,23,25,26,29)/t12-/m0/s1
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n/an/a 2.80n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Binding affinity to human FR2 expressed in human HeLa R1-11 cells assessed as antiproliferative activity measured as reduction in cell growth after 9...

J Med Chem 61: 4228-4248 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00408
BindingDB Entry DOI: 10.7270/Q2M048QF
More data for this
Ligand-Target Pair
Folate receptor beta


(Homo sapiens (Human))		BDBM50503240
PNG
(CHEMBL4445651)
Show SMILES Nc1nc2[nH]c(CCCc3csc(C(=O)N[C@@H](CCC(O)=O)C(O)=O)c3F)cc2c(=O)[nH]1 |r|
Show InChI InChI=1S/C19H20FN5O6S/c20-13-8(2-1-3-9-6-10-15(22-9)24-19(21)25-16(10)28)7-32-14(13)17(29)23-11(18(30)31)4-5-12(26)27/h6-7,11H,1-5H2,(H,23,29)(H,26,27)(H,30,31)(H4,21,22,24,25,28)/t11-/m0/s1
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n/an/a 3.10n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Binding affinity to human FR2 expressed in human HeLa R1-11 cells assessed as antiproliferative activity measured as reduction in cell growth after 9...

J Med Chem 61: 4228-4248 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00408
BindingDB Entry DOI: 10.7270/Q2M048QF
More data for this
Ligand-Target Pair
Folate receptor beta


(Homo sapiens (Human))		BDBM50027654
PNG
(CHEMBL3335605)
Show SMILES Nc1nc2[nH]c(CCCc3ccc(s3)C(=O)N[C@@H](CCCC(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)3-1-4-11-7-8-14(32-11)18(29)23-13(19(30)31)5-2-6-15(26)27/h7-9,13H,1-6H2,(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 3.60n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of FRbeta (unknown origin) expressed in Chinese hamster D4 cells assessed as cell growth inhibition incubated up to 96 hrs by Celltiter-bl...

J Med Chem 57: 8152-66 (2014)


Article DOI: 10.1021/jm501113m
BindingDB Entry DOI: 10.7270/Q2F47QQS
More data for this
Ligand-Target Pair
Folate receptor beta


(Homo sapiens (Human))		BDBM50503236
PNG
(CHEMBL4538151)
Show SMILES Nc1nc2[nH]c(CCCc3ccc(C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(F)c3)cc2c(=O)[nH]1 |r|
Show InChI InChI=1S/C21H22FN5O6/c22-14-8-10(2-1-3-11-9-13-17(24-11)26-21(23)27-19(13)31)4-5-12(14)18(30)25-15(20(32)33)6-7-16(28)29/h4-5,8-9,15H,1-3,6-7H2,(H,25,30)(H,28,29)(H,32,33)(H4,23,24,26,27,31)/t15-/m0/s1
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n/an/a 3.90n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Binding affinity to human FRbeta expressed in Chinese hamster D4 cells assessed as antiproliferative activity measured as reduction in cell growth af...

J Med Chem 61: 4228-4248 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00408
BindingDB Entry DOI: 10.7270/Q2M048QF
More data for this
Ligand-Target Pair
Folate receptor beta


(Homo sapiens (Human))		BDBM50503236
PNG
(CHEMBL4538151)
Show SMILES Nc1nc2[nH]c(CCCc3ccc(C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(F)c3)cc2c(=O)[nH]1 |r|
Show InChI InChI=1S/C21H22FN5O6/c22-14-8-10(2-1-3-11-9-13-17(24-11)26-21(23)27-19(13)31)4-5-12(14)18(30)25-15(20(32)33)6-7-16(28)29/h4-5,8-9,15H,1-3,6-7H2,(H,25,30)(H,28,29)(H,32,33)(H4,23,24,26,27,31)/t15-/m0/s1
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n/an/a 5.20n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Binding affinity to human FR2 expressed in human HeLa R1-11 cells assessed as antiproliferative activity measured as reduction in cell growth after 9...

J Med Chem 61: 4228-4248 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00408
BindingDB Entry DOI: 10.7270/Q2M048QF
More data for this
Ligand-Target Pair
Folate receptor beta


(Homo sapiens (Human))		BDBM50171511
PNG
((S)-2-(4-(4-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[...)
Show SMILES Nc1nc2[nH]c(CCCCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r|
Show InChI InChI=1S/C22H25N5O6/c23-22-26-18-15(20(31)27-22)11-14(24-18)4-2-1-3-12-5-7-13(8-6-12)19(30)25-16(21(32)33)9-10-17(28)29/h5-8,11,16H,1-4,9-10H2,(H,25,30)(H,28,29)(H,32,33)(H4,23,24,26,27,31)/t16-/m0/s1
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n/an/a 5.60n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Binding affinity to human FRbeta expressed in Chinese hamster D4 cells assessed as antiproliferative activity measured as reduction in cell growth af...

J Med Chem 61: 4228-4248 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00408
BindingDB Entry DOI: 10.7270/Q2M048QF
More data for this
Ligand-Target Pair
Folate receptor beta


(Homo sapiens (Human))		BDBM50171511
PNG
((S)-2-(4-(4-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[...)
Show SMILES Nc1nc2[nH]c(CCCCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r|
Show InChI InChI=1S/C22H25N5O6/c23-22-26-18-15(20(31)27-22)11-14(24-18)4-2-1-3-12-5-7-13(8-6-12)19(30)25-16(21(32)33)9-10-17(28)29/h5-8,11,16H,1-4,9-10H2,(H,25,30)(H,28,29)(H,32,33)(H4,23,24,26,27,31)/t16-/m0/s1
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n/an/a 5.60n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Binding affinity to human FR-beta receptor expressed in Chinese hamster D4 cells assessed as antiproliferative activity measured as reduction in cell...

J Med Chem 61: 2027-2040 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01708
BindingDB Entry DOI: 10.7270/Q2ST7SF1
More data for this
Ligand-Target Pair
Folate receptor beta


(Homo sapiens (Human))		BDBM50171513
PNG
((S)-2-(4-(3-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[...)
Show SMILES Nc1nc2[nH]c(CCCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r|
Show InChI InChI=1S/C21H23N5O6/c22-21-25-17-14(19(30)26-21)10-13(23-17)3-1-2-11-4-6-12(7-5-11)18(29)24-15(20(31)32)8-9-16(27)28/h4-7,10,15H,1-3,8-9H2,(H,24,29)(H,27,28)(H,31,32)(H4,22,23,25,26,30)/t15-/m0/s1
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n/an/a 5.60n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Binding affinity to human FRbeta expressed in Chinese hamster D4 cells assessed as antiproliferative activity measured as reduction in cell growth af...

J Med Chem 61: 4228-4248 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00408
BindingDB Entry DOI: 10.7270/Q2M048QF
More data for this
Ligand-Target Pair
Folate receptor beta


(Homo sapiens (Human))		BDBM50557565
PNG
(CHEMBL4755197)
Show SMILES Nc1nc2sc(CCCCc3csc(c3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r|
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TBA

Assay Description
Inhibition of human FRbeta expressed in Chinese Hamster MTXRII-OuaR2-4 R2 cells assessed as reduction in cell proliferation after 96 hrs by CellTiter...

Citation and Details

Article DOI: 10.1016/j.bmc.2021.116093
BindingDB Entry DOI: 10.7270/Q2RF5ZQT
More data for this
Ligand-Target Pair
Folate receptor beta


(Homo sapiens (Human))		BDBM50457435
PNG
(CHEMBL4214638)
Show SMILES Nc1nc2[nH]c(CCCCc3ccc(nc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r|
Show InChI InChI=1S/C21H24N6O6/c22-21-26-17-13(18(30)27-21)9-12(24-17)4-2-1-3-11-5-6-14(23-10-11)19(31)25-15(20(32)33)7-8-16(28)29/h5-6,9-10,15H,1-4,7-8H2,(H,25,31)(H,28,29)(H,32,33)(H4,22,24,26,27,30)/t15-/m0/s1
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n/an/a 6.5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Binding affinity to human FR2 expressed in human HeLa R1-11 cells assessed as antiproliferative activity measured as reduction in cell growth after 9...

J Med Chem 61: 4228-4248 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00408
BindingDB Entry DOI: 10.7270/Q2M048QF
More data for this
Ligand-Target Pair
Folate receptor beta


(Homo sapiens (Human))		BDBM50126172
PNG
(CHEMBL3628344)
Show SMILES Nc1nc2[nH]c(CCCc3csc(c3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r|
Show InChI InChI=1S/C19H21N5O6S/c20-19-23-15-11(16(27)24-19)7-10(21-15)3-1-2-9-6-13(31-8-9)17(28)22-12(18(29)30)4-5-14(25)26/h6-8,12H,1-5H2,(H,22,28)(H,25,26)(H,29,30)(H4,20,21,23,24,27)/t12-/m0/s1
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n/an/a 7.60n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Binding affinity to human FR2 expressed in human HeLa R1-11 cells assessed as antiproliferative activity measured as reduction in cell growth after 9...

J Med Chem 61: 4228-4248 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00408
BindingDB Entry DOI: 10.7270/Q2M048QF
More data for this
Ligand-Target Pair
Folate receptor beta


(Homo sapiens (Human))		BDBM50503237
PNG
(CHEMBL4540298)
Show SMILES Nc1nc2[nH]c(CCCCc3ccc(C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(F)c3)cc2c(=O)[nH]1 |r|
Show InChI InChI=1S/C22H24FN5O6/c23-15-9-11(5-6-13(15)19(31)26-16(21(33)34)7-8-17(29)30)3-1-2-4-12-10-14-18(25-12)27-22(24)28-20(14)32/h5-6,9-10,16H,1-4,7-8H2,(H,26,31)(H,29,30)(H,33,34)(H4,24,25,27,28,32)/t16-/m0/s1
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n/an/a 7.80n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Binding affinity to human FR2 expressed in human HeLa R1-11 cells assessed as antiproliferative activity measured as reduction in cell growth after 9...

J Med Chem 61: 4228-4248 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00408
BindingDB Entry DOI: 10.7270/Q2M048QF
More data for this
Ligand-Target Pair
Folate receptor beta


(Homo sapiens (Human))		BDBM50171511
PNG
((S)-2-(4-(4-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[...)
Show SMILES Nc1nc2[nH]c(CCCCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r|
Show InChI InChI=1S/C22H25N5O6/c23-22-26-18-15(20(31)27-22)11-14(24-18)4-2-1-3-12-5-7-13(8-6-12)19(30)25-16(21(32)33)9-10-17(28)29/h5-8,11,16H,1-4,9-10H2,(H,25,30)(H,28,29)(H,32,33)(H4,23,24,26,27,31)/t16-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Binding affinity to human FR2 expressed in human HeLa R1-11 cells assessed as antiproliferative activity measured as reduction in cell growth after 9...

J Med Chem 61: 4228-4248 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00408
BindingDB Entry DOI: 10.7270/Q2M048QF
More data for this
Ligand-Target Pair
Folate receptor beta


(Homo sapiens (Human))		BDBM50171513
PNG
((S)-2-(4-(3-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[...)
Show SMILES Nc1nc2[nH]c(CCCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r|
Show InChI InChI=1S/C21H23N5O6/c22-21-25-17-14(19(30)26-21)10-13(23-17)3-1-2-11-4-6-12(7-5-11)18(29)24-15(20(31)32)8-9-16(27)28/h4-7,10,15H,1-3,8-9H2,(H,24,29)(H,27,28)(H,31,32)(H4,22,23,25,26,30)/t15-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Binding affinity to human FR2 expressed in human HeLa R1-11 cells assessed as antiproliferative activity measured as reduction in cell growth after 9...

J Med Chem 61: 4228-4248 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00408
BindingDB Entry DOI: 10.7270/Q2M048QF
More data for this
Ligand-Target Pair
Folate receptor beta


(Homo sapiens (Human))		BDBM50126173
PNG
(CHEMBL3628345)
Show SMILES Nc1nc(N)c2c(CCCc3csc(c3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)coc2n1 |r|
Show InChI InChI=1S/C19H21N5O6S/c20-15-14-10(7-30-17(14)24-19(21)23-15)3-1-2-9-6-12(31-8-9)16(27)22-11(18(28)29)4-5-13(25)26/h6-8,11H,1-5H2,(H,22,27)(H,25,26)(H,28,29)(H4,20,21,23,24)/t11-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Binding affinity to human FRbeta expressed in Chinese hamster D4 cells assessed as cell growth inhibition after 96 hrs by CellTiter-Blue assay

J Med Chem 58: 6938-59 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00801
BindingDB Entry DOI: 10.7270/Q2QJ7K3P
More data for this
Ligand-Target Pair
Folate receptor beta


(Homo sapiens (Human))		BDBM50457433
PNG
(CHEMBL4213181)
Show SMILES Nc1nc2[nH]c(CCC#Cc3ccc(nc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r|
Show InChI InChI=1S/C21H20N6O6/c22-21-26-17-13(18(30)27-21)9-12(24-17)4-2-1-3-11-5-6-14(23-10-11)19(31)25-15(20(32)33)7-8-16(28)29/h5-6,9-10,15H,2,4,7-8H2,(H,25,31)(H,28,29)(H,32,33)(H4,22,24,26,27,30)/t15-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Binding affinity to human FR-beta receptor expressed in Chinese hamster D4 cells assessed as antiproliferative activity measured as reduction in cell...

J Med Chem 61: 2027-2040 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01708
BindingDB Entry DOI: 10.7270/Q2ST7SF1
More data for this
Ligand-Target Pair
Folate receptor beta


(Homo sapiens (Human))		BDBM50249877
PNG
((S)-2-(4-(4-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d...)
Show SMILES Nc1nc2sc(CCCCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r|
Show InChI InChI=1S/C22H24N4O6S/c23-22-25-19(30)15-11-14(33-20(15)26-22)4-2-1-3-12-5-7-13(8-6-12)18(29)24-16(21(31)32)9-10-17(27)28/h5-8,11,16H,1-4,9-10H2,(H,24,29)(H,27,28)(H,31,32)(H3,23,25,26,30)/t16-/m0/s1
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n/an/a 20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human FRbeta expressed in Chinese Hamster MTXRII-OuaR2-4 R2 cells assessed as reduction in cell proliferation after 96 hrs by CellTiter...

Citation and Details

Article DOI: 10.1016/j.bmc.2021.116093
BindingDB Entry DOI: 10.7270/Q2RF5ZQT
More data for this
Ligand-Target Pair
Folate receptor beta


(Homo sapiens (Human))		BDBM50027655
PNG
(CHEBI:5847 | Raltitrexed | Tomudex | US9422297, Ra...)
Show SMILES CN(Cc1ccc2[nH]c(C)nc(=O)c2c1)c1ccc(s1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C21H22N4O6S/c1-11-22-14-4-3-12(9-13(14)19(28)23-11)10-25(2)17-7-6-16(32-17)20(29)24-15(21(30)31)5-8-18(26)27/h3-4,6-7,9,15H,5,8,10H2,1-2H3,(H,24,29)(H,26,27)(H,30,31)(H,22,23,28)/t15-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of FRbeta (unknown origin) expressed in Chinese hamster D4 cells assessed as cell growth inhibition incubated up to 96 hrs by Celltiter-bl...

J Med Chem 57: 8152-66 (2014)


Article DOI: 10.1021/jm501113m
BindingDB Entry DOI: 10.7270/Q2F47QQS
More data for this
Ligand-Target Pair
Folate receptor beta


(Homo sapiens (Human))		BDBM50027655
PNG
(CHEBI:5847 | Raltitrexed | Tomudex | US9422297, Ra...)
Show SMILES CN(Cc1ccc2[nH]c(C)nc(=O)c2c1)c1ccc(s1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C21H22N4O6S/c1-11-22-14-4-3-12(9-13(14)19(28)23-11)10-25(2)17-7-6-16(32-17)20(29)24-15(21(30)31)5-8-18(26)27/h3-4,6-7,9,15H,5,8,10H2,1-2H3,(H,24,29)(H,26,27)(H,30,31)(H,22,23,28)/t15-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Binding affinity to human FR-beta receptor expressed in Chinese hamster D4 cells assessed as antiproliferative activity measured as reduction in cell...

J Med Chem 61: 2027-2040 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01708
BindingDB Entry DOI: 10.7270/Q2ST7SF1
More data for this
Ligand-Target Pair
Folate receptor beta


(Homo sapiens (Human))		BDBM50503239
PNG
(CHEMBL4557278)
Show SMILES Nc1nc2[nH]c(CCCCc3cnc(C(=O)N[C@@H](CCC(O)=O)C(O)=O)c(F)c3)cc2c(=O)[nH]1 |r|
Show InChI InChI=1S/C21H23FN6O6/c22-13-7-10(9-24-16(13)19(32)26-14(20(33)34)5-6-15(29)30)3-1-2-4-11-8-12-17(25-11)27-21(23)28-18(12)31/h7-9,14H,1-6H2,(H,26,32)(H,29,30)(H,33,34)(H4,23,25,27,28,31)/t14-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Binding affinity to human FR2 expressed in human HeLa R1-11 cells assessed as antiproliferative activity measured as reduction in cell growth after 9...

J Med Chem 61: 4228-4248 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00408
BindingDB Entry DOI: 10.7270/Q2M048QF
More data for this
Ligand-Target Pair
Folate receptor beta


(Homo sapiens (Human))		BDBM50354833
PNG
(AGF94 | CHEMBL1834488)
Show SMILES Nc1nc2[nH]c(CCCc3ccc(s3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 |r|
Show InChI InChI=1S/C19H21N5O6S/c20-19-23-15-11(16(27)24-19)8-9(21-15)2-1-3-10-4-6-13(31-10)17(28)22-12(18(29)30)5-7-14(25)26/h4,6,8,12H,1-3,5,7H2,(H,22,28)(H,25,26)(H,29,30)(H4,20,21,23,24,27)/t12-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Binding affinity to human FR2 expressed in human HeLa R1-11 cells assessed as antiproliferative activity measured as reduction in cell growth after 9...

J Med Chem 61: 4228-4248 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00408
BindingDB Entry DOI: 10.7270/Q2M048QF
More data for this
Ligand-Target Pair
Folate receptor beta


(Homo sapiens (Human))		BDBM50393640
PNG
(CHEMBL2158681)
Show SMILES Nc1nc2[nH]c(CCCCc3csc(c3)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)8-11(22-16)4-2-1-3-10-7-14(32-9-10)18(29)23-13(19(30)31)5-6-15(26)27/h7-9,13H,1-6H2,(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 35n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Binding affinity to human FR2 expressed in human HeLa R1-11 cells assessed as antiproliferative activity measured as reduction in cell growth after 9...

J Med Chem 61: 4228-4248 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00408
BindingDB Entry DOI: 10.7270/Q2M048QF
More data for this
Ligand-Target Pair
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