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Compile Data Set for Download or QSAR

Found 172 hits Enz. Inhib. hit(s) with Target = 'Replication protein A 70 kDa DNA-binding subunit'   
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
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50080828
PNG
(CHEMBL3422471)
Show SMILES OC(=O)c1cc(-c2ccc(cc2)C(=S)NCc2ccc(cc2Cl)-c2ccc(o2)C(O)=O)n(n1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C29H18Cl3N3O5S/c30-20-8-7-19(12-22(20)32)35-24(13-23(34-35)28(36)37)15-1-3-16(4-2-15)27(41)33-14-18-6-5-17(11-21(18)31)25-9-10-26(40-25)29(38)39/h1-13H,14H2,(H,33,41)(H,36,37)(H,38,39)
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n/an/an/a 0.480n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to RPA70N protein (unknown origin) incubated for 1 hr using FITC-ATRIP/FITC-ATRIP2 peptide probe by fluorescence polarization anisot...


ACS Med Chem Lett 6: 140-5 (2015)


Article DOI: 10.1021/ml5003629
BindingDB Entry DOI: 10.7270/Q2HM5B5R
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50080825
PNG
(CHEMBL3422472)
Show SMILES OC(=O)c1cc(-c2ccc(CN3CCc4cc(ccc4C3=S)-c3ccc(o3)C(O)=O)cc2)n(n1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C31H21Cl2N3O5S/c32-23-8-6-21(14-24(23)33)36-26(15-25(34-36)30(37)38)18-3-1-17(2-4-18)16-35-12-11-19-13-20(5-7-22(19)29(35)42)27-9-10-28(41-27)31(39)40/h1-10,13-15H,11-12,16H2,(H,37,38)(H,39,40)
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n/an/an/a 0.540n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to RPA70N protein (unknown origin) incubated for 1 hr using FITC-ATRIP/FITC-ATRIP2 peptide probe by fluorescence polarization anisot...


ACS Med Chem Lett 6: 140-5 (2015)


Article DOI: 10.1021/ml5003629
BindingDB Entry DOI: 10.7270/Q2HM5B5R
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50080853
PNG
(CHEMBL3422469)
Show SMILES OC(=O)c1cc(-c2ccc(CNC(=S)c3ccc(cc3)-c3ccc(o3)C(O)=O)cc2)n(n1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C29H19Cl2N3O5S/c30-21-10-9-20(13-22(21)31)34-24(14-23(33-34)28(35)36)17-3-1-16(2-4-17)15-32-27(40)19-7-5-18(6-8-19)25-11-12-26(39-25)29(37)38/h1-14H,15H2,(H,32,40)(H,35,36)(H,37,38)
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n/an/an/a 0.550n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to RPA70N protein (unknown origin) incubated for 1 hr using FITC-ATRIP/FITC-ATRIP2 peptide probe by fluorescence polarization anisot...


ACS Med Chem Lett 6: 140-5 (2015)


Article DOI: 10.1021/ml5003629
BindingDB Entry DOI: 10.7270/Q2HM5B5R
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50080855
PNG
(CHEMBL3422468)
Show SMILES OC(=O)c1cc(-c2ccc(cc2)C(=S)NCc2ccc(cc2)-c2ccc(o2)C(O)=O)n(n1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C29H19Cl2N3O5S/c30-21-10-9-20(13-22(21)31)34-24(14-23(33-34)28(35)36)17-5-7-19(8-6-17)27(40)32-15-16-1-3-18(4-2-16)25-11-12-26(39-25)29(37)38/h1-14H,15H2,(H,32,40)(H,35,36)(H,37,38)
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n/an/an/a 1.5n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to RPA70N protein (unknown origin) incubated for 1 hr using FITC-ATRIP/FITC-ATRIP2 peptide probe by fluorescence polarization anisot...


ACS Med Chem Lett 6: 140-5 (2015)


Article DOI: 10.1021/ml5003629
BindingDB Entry DOI: 10.7270/Q2HM5B5R
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50080820
PNG
(CHEMBL3422476)
Show SMILES OC(=O)c1ccc(o1)-c1ccc(C(=S)NCc2ccc(cc2)-c2ccnn2-c2ccc(Cl)c(Cl)c2)c(Cl)c1
Show InChI InChI=1S/C28H18Cl3N3O3S/c29-21-8-6-19(14-23(21)31)34-24(11-12-33-34)17-3-1-16(2-4-17)15-32-27(38)20-7-5-18(13-22(20)30)25-9-10-26(37-25)28(35)36/h1-14H,15H2,(H,32,38)(H,35,36)
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n/an/an/a 1.70n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to RPA70N protein (unknown origin) incubated for 1 hr using FITC-ATRIP/FITC-ATRIP2 peptide probe by fluorescence polarization anisot...


ACS Med Chem Lett 6: 140-5 (2015)


Article DOI: 10.1021/ml5003629
BindingDB Entry DOI: 10.7270/Q2HM5B5R
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50080823
PNG
(CHEMBL3422474)
Show SMILES OC(=O)c1cc(-c2ccc(CNC(=S)c3ccc(cc3)-c3nnn[nH]3)cc2)n(n1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C25H17Cl2N7O2S/c26-19-10-9-18(11-20(19)27)34-22(12-21(31-34)25(35)36)15-3-1-14(2-4-15)13-28-24(37)17-7-5-16(6-8-17)23-29-32-33-30-23/h1-12H,13H2,(H,28,37)(H,35,36)(H,29,30,32,33)
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n/an/an/a 2.20n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to RPA70N protein (unknown origin) incubated for 1 hr using FITC-ATRIP/FITC-ATRIP2 peptide probe by fluorescence polarization anisot...


ACS Med Chem Lett 6: 140-5 (2015)


Article DOI: 10.1021/ml5003629
BindingDB Entry DOI: 10.7270/Q2HM5B5R
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50080856
PNG
(CHEMBL3422467)
Show SMILES OC(=O)c1cc(-c2ccc(cc2)C(=S)NCc2cccc(c2)-c2ccc(o2)C(O)=O)n(n1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C29H19Cl2N3O5S/c30-21-9-8-20(13-22(21)31)34-24(14-23(33-34)28(35)36)17-4-6-18(7-5-17)27(40)32-15-16-2-1-3-19(12-16)25-10-11-26(39-25)29(37)38/h1-14H,15H2,(H,32,40)(H,35,36)(H,37,38)
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n/an/an/a 2.5n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to RPA70N protein (unknown origin) incubated for 1 hr using FITC-ATRIP/FITC-ATRIP2 peptide probe by fluorescence polarization anisot...


ACS Med Chem Lett 6: 140-5 (2015)


Article DOI: 10.1021/ml5003629
BindingDB Entry DOI: 10.7270/Q2HM5B5R
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50080858
PNG
(CHEMBL3422465)
Show SMILES CC(=O)N(Cc1ccc(cc1)-c1ccc(o1)C(O)=O)Cc1cccc(c1)-c1cc(nn1-c1ccc(Cl)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C31H23Cl2N3O6/c1-18(37)35(16-19-5-7-21(8-6-19)28-11-12-29(42-28)31(40)41)17-20-3-2-4-22(13-20)27-15-26(30(38)39)34-36(27)23-9-10-24(32)25(33)14-23/h2-15H,16-17H2,1H3,(H,38,39)(H,40,41)
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n/an/an/a 8.20n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to RPA70N protein (unknown origin) incubated for 1 hr using FITC-ATRIP/FITC-ATRIP2 peptide probe by fluorescence polarization anisot...


ACS Med Chem Lett 6: 140-5 (2015)


Article DOI: 10.1021/ml5003629
BindingDB Entry DOI: 10.7270/Q2HM5B5R
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50080822
PNG
(CHEMBL3422475)
Show SMILES OC(=O)c1cc(-c2ccc(CNC(=S)c3ccc(cc3)-c3nc(=O)o[nH]3)cc2)n(n1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C26H17Cl2N5O4S/c27-19-10-9-18(11-20(19)28)33-22(12-21(31-33)25(34)35)15-3-1-14(2-4-15)13-29-24(38)17-7-5-16(6-8-17)23-30-26(36)37-32-23/h1-12H,13H2,(H,29,38)(H,34,35)(H,30,32,36)
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n/an/an/a 9.30n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to RPA70N protein (unknown origin) incubated for 1 hr using FITC-ATRIP/FITC-ATRIP2 peptide probe by fluorescence polarization anisot...


ACS Med Chem Lett 6: 140-5 (2015)


Article DOI: 10.1021/ml5003629
BindingDB Entry DOI: 10.7270/Q2HM5B5R
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50080829
PNG
(CHEMBL3422470)
Show SMILES OC(=O)c1cc(-c2ccc(cc2)C(=O)NCc2ccc(cc2Cl)-c2ccc(o2)C(O)=O)n(n1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C29H18Cl3N3O6/c30-20-8-7-19(12-22(20)32)35-24(13-23(34-35)28(37)38)15-1-3-16(4-2-15)27(36)33-14-18-6-5-17(11-21(18)31)25-9-10-26(41-25)29(39)40/h1-13H,14H2,(H,33,36)(H,37,38)(H,39,40)
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n/an/an/a 9.40n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to RPA70N protein (unknown origin) incubated for 1 hr using FITC-ATRIP/FITC-ATRIP2 peptide probe by fluorescence polarization anisot...


ACS Med Chem Lett 6: 140-5 (2015)


Article DOI: 10.1021/ml5003629
BindingDB Entry DOI: 10.7270/Q2HM5B5R
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50080862
PNG
(CHEMBL3422461)
Show SMILES OC(=O)c1cc(-c2ccc(CNC(=S)c3ccc(Br)cc3)cc2)n(n1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H16BrCl2N3O2S/c25-17-7-5-16(6-8-17)23(33)28-13-14-1-3-15(4-2-14)22-12-21(24(31)32)29-30(22)18-9-10-19(26)20(27)11-18/h1-12H,13H2,(H,28,33)(H,31,32)
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n/an/an/a 15n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to RPA70N protein (unknown origin) incubated for 1 hr using FITC-ATRIP/FITC-ATRIP2 peptide probe by fluorescence polarization anisot...


ACS Med Chem Lett 6: 140-5 (2015)


Article DOI: 10.1021/ml5003629
BindingDB Entry DOI: 10.7270/Q2HM5B5R
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50080864
PNG
(CHEMBL3422459)
Show SMILES OC(=O)c1cc(-c2ccc(cc2)C(=S)NCc2ccccc2)n(n1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H17Cl2N3O2S/c25-19-11-10-18(12-20(19)26)29-22(13-21(28-29)24(30)31)16-6-8-17(9-7-16)23(32)27-14-15-4-2-1-3-5-15/h1-13H,14H2,(H,27,32)(H,30,31)
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n/an/an/a 18n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to RPA70N protein (unknown origin) incubated for 1 hr using FITC-ATRIP/FITC-ATRIP2 peptide probe by fluorescence polarization anisot...


ACS Med Chem Lett 6: 140-5 (2015)


Article DOI: 10.1021/ml5003629
BindingDB Entry DOI: 10.7270/Q2HM5B5R
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50006680
PNG
(CHEMBL3236301)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)[C@@H](C)O)C(N)=O
Show InChI InChI=1S/C94H108Cl2N16O29S/c1-42(2)29-63(80(97)126)104-81(127)44(5)99-85(131)66(33-48-17-24-58(95)59(96)31-48)108-87(133)67(34-49-41-98-60-16-12-11-15-53(49)60)109-84(130)62(26-28-74(118)119)102-83(129)61(25-27-73(116)117)103-86(132)64(30-43(3)4)106-89(135)69(39-76(122)123)110-88(134)68(38-75(120)121)105-82(128)45(6)100-92(138)79(46(7)113)112-91(137)65(32-47-13-9-8-10-14-47)107-90(136)70(40-77(124)125)111-94(142)101-50-18-21-54(57(35-50)93(139)140)78-55-22-19-51(114)36-71(55)141-72-37-52(115)20-23-56(72)78/h8-24,31,35-37,41-46,61-70,79,98,113-114H,25-30,32-34,38-40H2,1-7H3,(H2,97,126)(H,99,131)(H,100,138)(H,102,129)(H,103,132)(H,104,127)(H,105,128)(H,106,135)(H,107,136)(H,108,133)(H,109,130)(H,110,134)(H,112,137)(H,116,117)(H,118,119)(H,120,121)(H,122,123)(H,124,125)(H,139,140)(H2,101,111,142)/t44-,45-,46+,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,79-/m0/s1
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n/an/an/a 22n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human RPA70 N-terminal domain (1 to 120 amino acids) expressed in Escherichia coli BL21-DE3 by fluorescence polarizat...


J Med Chem 57: 2455-61 (2014)


Article DOI: 10.1021/jm401730y
BindingDB Entry DOI: 10.7270/Q29888H7
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50080857
PNG
(CHEMBL3422466)
Show SMILES OC(=O)c1cc(-c2cccc(c2)C(=O)NCc2ccc(cc2)-c2ccc(o2)C(O)=O)n(n1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C29H19Cl2N3O6/c30-21-9-8-20(13-22(21)31)34-24(14-23(33-34)28(36)37)18-2-1-3-19(12-18)27(35)32-15-16-4-6-17(7-5-16)25-10-11-26(40-25)29(38)39/h1-14H,15H2,(H,32,35)(H,36,37)(H,38,39)
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n/an/an/a 22n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to RPA70N protein (unknown origin) incubated for 1 hr using FITC-ATRIP/FITC-ATRIP2 peptide probe by fluorescence polarization anisot...


ACS Med Chem Lett 6: 140-5 (2015)


Article DOI: 10.1021/ml5003629
BindingDB Entry DOI: 10.7270/Q2HM5B5R
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50080863
PNG
(CHEMBL3422460)
Show SMILES COc1ccc(CNC(=S)c2ccc(cc2)-c2cc(nn2-c2ccc(Cl)c(Cl)c2)C(O)=O)cc1
Show InChI InChI=1S/C25H19Cl2N3O3S/c1-33-19-9-2-15(3-10-19)14-28-24(34)17-6-4-16(5-7-17)23-13-22(25(31)32)29-30(23)18-8-11-20(26)21(27)12-18/h2-13H,14H2,1H3,(H,28,34)(H,31,32)
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n/an/an/a 23n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to RPA70N protein (unknown origin) incubated for 1 hr using FITC-ATRIP/FITC-ATRIP2 peptide probe by fluorescence polarization anisot...


ACS Med Chem Lett 6: 140-5 (2015)


Article DOI: 10.1021/ml5003629
BindingDB Entry DOI: 10.7270/Q2HM5B5R
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50080824
PNG
(CHEMBL3422473)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=S)NCc1ccc(cc1)-c1cc(nn1-c1ccc(Cl)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C24H18Cl2N4O4S2/c25-19-10-7-17(11-20(19)26)30-22(12-21(29-30)24(31)32)15-3-1-14(2-4-15)13-28-23(35)16-5-8-18(9-6-16)36(27,33)34/h1-12H,13H2,(H,28,35)(H,31,32)(H2,27,33,34)
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n/an/an/a 34n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to RPA70N protein (unknown origin) incubated for 1 hr using FITC-ATRIP/FITC-ATRIP2 peptide probe by fluorescence polarization anisot...


ACS Med Chem Lett 6: 140-5 (2015)


Article DOI: 10.1021/ml5003629
BindingDB Entry DOI: 10.7270/Q2HM5B5R
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50080865
PNG
(CHEMBL3422458)
Show SMILES OC(=O)c1cc(-c2ccc(CNC(=O)c3ccc(Br)cc3)cc2)n(n1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H16BrCl2N3O3/c25-17-7-5-16(6-8-17)23(31)28-13-14-1-3-15(4-2-14)22-12-21(24(32)33)29-30(22)18-9-10-19(26)20(27)11-18/h1-12H,13H2,(H,28,31)(H,32,33)
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n/an/an/a 35n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to RPA70N protein (unknown origin) incubated for 1 hr using FITC-ATRIP/FITC-ATRIP2 peptide probe by fluorescence polarization anisot...


ACS Med Chem Lett 6: 140-5 (2015)


Article DOI: 10.1021/ml5003629
BindingDB Entry DOI: 10.7270/Q2HM5B5R
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50006726
PNG
(CHEMBL3236545)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@]1(C)CCC\C=C/CCC[C@@](C)(NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N1)C(O)=O
Show InChI InChI=1S/C99H119Cl2N17O24S/c1-49(2)37-69-86(129)108-68(33-34-80(124)125)91(134)118-99(9,96(141)113-72(42-56-48-104-67-24-18-17-23-60(56)67)87(130)111-71(41-55-25-32-65(100)66(101)39-55)85(128)105-51(5)83(126)112-75(94(138)139)38-50(3)4)36-20-13-11-10-12-19-35-98(8,95(140)114-73(46-78(102)122)88(131)109-69)117-84(127)52(6)106-92(135)82(53(7)119)116-90(133)70(40-54-21-15-14-16-22-54)110-89(132)74(47-79(103)123)115-97(143)107-57-26-29-61(64(43-57)93(136)137)81-62-30-27-58(120)44-76(62)142-77-45-59(121)28-31-63(77)81/h10-11,14-18,21-32,39,43-45,48-53,68-75,82,104,119-120H,12-13,19-20,33-38,40-42,46-47H2,1-9H3,(H2,102,122)(H2,103,123)(H,105,128)(H,106,135)(H,108,129)(H,109,131)(H,110,132)(H,111,130)(H,112,126)(H,113,141)(H,114,140)(H,116,133)(H,117,127)(H,118,134)(H,124,125)(H,136,137)(H,138,139)(H2,107,115,143)/b11-10-/t51-,52-,53+,68-,69-,70-,71-,72-,73-,74-,75-,82-,98+,99+/m0/s1
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n/an/an/a 42n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human RPA70 N-terminal domain (1 to 120 amino acids) expressed in Escherichia coli BL21-DE3 by fluorescence polarizat...


J Med Chem 57: 2455-61 (2014)


Article DOI: 10.1021/jm401730y
BindingDB Entry DOI: 10.7270/Q29888H7
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50080673
PNG
(CHEMBL3422456)
Show SMILES COc1ccc(CNC(=O)c2ccc(cc2)-c2cc(nn2-c2ccc(Cl)c(Cl)c2)C(O)=O)cc1
Show InChI InChI=1S/C25H19Cl2N3O4/c1-34-19-9-2-15(3-10-19)14-28-24(31)17-6-4-16(5-7-17)23-13-22(25(32)33)29-30(23)18-8-11-20(26)21(27)12-18/h2-13H,14H2,1H3,(H,28,31)(H,32,33)
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n/an/an/a 45n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to RPA70N protein (unknown origin) incubated for 1 hr using FITC-ATRIP/FITC-ATRIP2 peptide probe by fluorescence polarization anisot...


ACS Med Chem Lett 6: 140-5 (2015)


Article DOI: 10.1021/ml5003629
BindingDB Entry DOI: 10.7270/Q2HM5B5R
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50006725
PNG
(CHEMBL3236544)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@]1(C)CCC\C=C/CCC[C@@](C)(NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N1)C(O)=O
Show InChI InChI=1S/C99H118Cl2N16O25S/c1-49(2)37-69-86(129)107-68(33-34-79(122)123)91(134)117-99(9,96(141)112-72(42-56-48-103-67-24-18-17-23-60(56)67)87(130)110-71(41-55-25-32-65(100)66(101)39-55)85(128)104-51(5)83(126)111-75(94(138)139)38-50(3)4)36-20-13-11-10-12-19-35-98(8,95(140)113-74(47-80(124)125)89(132)108-69)116-84(127)52(6)105-92(135)82(53(7)118)115-90(133)70(40-54-21-15-14-16-22-54)109-88(131)73(46-78(102)121)114-97(143)106-57-26-29-61(64(43-57)93(136)137)81-62-30-27-58(119)44-76(62)142-77-45-59(120)28-31-63(77)81/h10-11,14-18,21-32,39,43-45,48-53,68-75,82,103,118-119H,12-13,19-20,33-38,40-42,46-47H2,1-9H3,(H2,102,121)(H,104,128)(H,105,135)(H,107,129)(H,108,132)(H,109,131)(H,110,130)(H,111,126)(H,112,141)(H,113,140)(H,115,133)(H,116,127)(H,117,134)(H,122,123)(H,124,125)(H,136,137)(H,138,139)(H2,106,114,143)/b11-10-/t51-,52-,53+,68-,69-,70-,71-,72-,73-,74-,75-,82-,98+,99+/m0/s1
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n/an/an/a 48n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human RPA70 N-terminal domain (1 to 120 amino acids) expressed in Escherichia coli BL21-DE3 by fluorescence polarizat...


J Med Chem 57: 2455-61 (2014)


Article DOI: 10.1021/jm401730y
BindingDB Entry DOI: 10.7270/Q29888H7
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50080785
PNG
(CHEMBL3422435)
Show SMILES OC(=O)c1cc(-c2ccc(Cl)cc2)n(n1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H9Cl3N2O2/c17-10-3-1-9(2-4-10)15-8-14(16(22)23)20-21(15)11-5-6-12(18)13(19)7-11/h1-8H,(H,22,23)
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n/an/an/a 54n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to RPA70N protein (unknown origin) by HSQC NMR-based titration method


ACS Med Chem Lett 6: 140-5 (2015)


Article DOI: 10.1021/ml5003629
BindingDB Entry DOI: 10.7270/Q2HM5B5R
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50080860
PNG
(CHEMBL3422463)
Show SMILES OC(=O)c1cc(-c2ccc(CNS(=O)(=O)c3ccc(OC(F)(F)F)cc3)cc2)n(n1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H16Cl2F3N3O5S/c25-19-10-5-16(11-20(19)26)32-22(12-21(31-32)23(33)34)15-3-1-14(2-4-15)13-30-38(35,36)18-8-6-17(7-9-18)37-24(27,28)29/h1-12,30H,13H2,(H,33,34)
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n/an/an/a 56n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to RPA70N protein (unknown origin) incubated for 1 hr using FITC-ATRIP/FITC-ATRIP2 peptide probe by fluorescence polarization anisot...


ACS Med Chem Lett 6: 140-5 (2015)


Article DOI: 10.1021/ml5003629
BindingDB Entry DOI: 10.7270/Q2HM5B5R
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50080859
PNG
(CHEMBL3422464)
Show SMILES OC(=O)c1cc(-c2cccc(CNCc3ccc(cc3)-c3ccc(o3)C(O)=O)c2)n(n1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C29H21Cl2N3O5/c30-22-9-8-21(13-23(22)31)34-25(14-24(33-34)28(35)36)20-3-1-2-18(12-20)16-32-15-17-4-6-19(7-5-17)26-10-11-27(39-26)29(37)38/h1-14,32H,15-16H2,(H,35,36)(H,37,38)
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n/an/an/a 57n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to RPA70N protein (unknown origin) incubated for 1 hr using FITC-ATRIP/FITC-ATRIP2 peptide probe by fluorescence polarization anisot...


ACS Med Chem Lett 6: 140-5 (2015)


Article DOI: 10.1021/ml5003629
BindingDB Entry DOI: 10.7270/Q2HM5B5R
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50080772
PNG
(CHEMBL3422448)
Show SMILES OC(=O)c1cc(-c2ccc(cc2)C(O)=O)n(n1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H10Cl2N2O4/c18-12-6-5-11(7-13(12)19)21-15(8-14(20-21)17(24)25)9-1-3-10(4-2-9)16(22)23/h1-8H,(H,22,23)(H,24,25)
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n/an/an/a 59n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to RPA70N protein (unknown origin) incubated for 1 hr using FITC-ATRIP/FITC-ATRIP2 peptide probe by fluorescence polarization anisot...


ACS Med Chem Lett 6: 140-5 (2015)


Article DOI: 10.1021/ml5003629
BindingDB Entry DOI: 10.7270/Q2HM5B5R
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50080785
PNG
(CHEMBL3422435)
Show SMILES OC(=O)c1cc(-c2ccc(Cl)cc2)n(n1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H9Cl3N2O2/c17-10-3-1-9(2-4-10)15-8-14(16(22)23)20-21(15)11-5-6-12(18)13(19)7-11/h1-8H,(H,22,23)
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n/an/an/a 67n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to RPA70N protein (unknown origin) incubated for 1 hr using FITC-ATRIP/FITC-ATRIP2 peptide probe by fluorescence polarization anisot...


ACS Med Chem Lett 6: 140-5 (2015)


Article DOI: 10.1021/ml5003629
BindingDB Entry DOI: 10.7270/Q2HM5B5R
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50080861
PNG
(CHEMBL3422462)
Show SMILES OC(=O)c1cc(-c2ccc(CNS(=O)(=O)c3ccccc3)cc2)n(n1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H17Cl2N3O4S/c24-19-11-10-17(12-20(19)25)28-22(13-21(27-28)23(29)30)16-8-6-15(7-9-16)14-26-33(31,32)18-4-2-1-3-5-18/h1-13,26H,14H2,(H,29,30)
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n/an/an/a 70n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to RPA70N protein (unknown origin) incubated for 1 hr using FITC-ATRIP/FITC-ATRIP2 peptide probe by fluorescence polarization anisot...


ACS Med Chem Lett 6: 140-5 (2015)


Article DOI: 10.1021/ml5003629
BindingDB Entry DOI: 10.7270/Q2HM5B5R
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50080774
PNG
(CHEMBL3422446)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(Cl)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C17H12Cl2N2O2/c1-10-2-4-11(5-3-10)16-9-15(17(22)23)20-21(16)12-6-7-13(18)14(19)8-12/h2-9H,1H3,(H,22,23)
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n/an/an/a 72n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to RPA70N protein (unknown origin) incubated for 1 hr using FITC-ATRIP/FITC-ATRIP2 peptide probe by fluorescence polarization anisot...


ACS Med Chem Lett 6: 140-5 (2015)


Article DOI: 10.1021/ml5003629
BindingDB Entry DOI: 10.7270/Q2HM5B5R
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50080866
PNG
(CHEMBL3422457)
Show SMILES COc1ccc(cc1)C(=O)NCc1ccc(cc1)-c1cc(nn1-c1ccc(Cl)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C25H19Cl2N3O4/c1-34-19-9-6-17(7-10-19)24(31)28-14-15-2-4-16(5-3-15)23-13-22(25(32)33)29-30(23)18-8-11-20(26)21(27)12-18/h2-13H,14H2,1H3,(H,28,31)(H,32,33)
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n/an/an/a 72n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to RPA70N protein (unknown origin) incubated for 1 hr using FITC-ATRIP/FITC-ATRIP2 peptide probe by fluorescence polarization anisot...


ACS Med Chem Lett 6: 140-5 (2015)


Article DOI: 10.1021/ml5003629
BindingDB Entry DOI: 10.7270/Q2HM5B5R
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50080778
PNG
(CHEMBL3422442)
Show SMILES COc1ccc(cc1)-c1cc(nn1-c1ccc(Cl)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C17H12Cl2N2O3/c1-24-12-5-2-10(3-6-12)16-9-15(17(22)23)20-21(16)11-4-7-13(18)14(19)8-11/h2-9H,1H3,(H,22,23)
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n/an/an/a 79n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to RPA70N protein (unknown origin) incubated for 1 hr using FITC-ATRIP/FITC-ATRIP2 peptide probe by fluorescence polarization anisot...


ACS Med Chem Lett 6: 140-5 (2015)


Article DOI: 10.1021/ml5003629
BindingDB Entry DOI: 10.7270/Q2HM5B5R
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50080674
PNG
(CHEMBL3422455)
Show SMILES OC(=O)c1cc(-c2ccc(cc2)C(=O)NCc2ccccc2)n(n1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H17Cl2N3O3/c25-19-11-10-18(12-20(19)26)29-22(13-21(28-29)24(31)32)16-6-8-17(9-7-16)23(30)27-14-15-4-2-1-3-5-15/h1-13H,14H2,(H,27,30)(H,31,32)
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n/an/an/a 83n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to RPA70N protein (unknown origin) incubated for 1 hr using FITC-ATRIP/FITC-ATRIP2 peptide probe by fluorescence polarization anisot...


ACS Med Chem Lett 6: 140-5 (2015)


Article DOI: 10.1021/ml5003629
BindingDB Entry DOI: 10.7270/Q2HM5B5R
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50080775
PNG
(CHEMBL3422445)
Show SMILES Cc1cccc(c1)-c1cc(nn1-c1ccc(Cl)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C17H12Cl2N2O2/c1-10-3-2-4-11(7-10)16-9-15(17(22)23)20-21(16)12-5-6-13(18)14(19)8-12/h2-9H,1H3,(H,22,23)
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n/an/an/a 90n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to RPA70N protein (unknown origin) incubated for 1 hr using FITC-ATRIP/FITC-ATRIP2 peptide probe by fluorescence polarization anisot...


ACS Med Chem Lett 6: 140-5 (2015)


Article DOI: 10.1021/ml5003629
BindingDB Entry DOI: 10.7270/Q2HM5B5R
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50080584
PNG
(CHEMBL3421641)
Show SMILES OC(=O)c1cc(-c2ccc(CNC(=O)c3ccccc3)cc2)n(n1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H17Cl2N3O3/c25-19-11-10-18(12-20(19)26)29-22(13-21(28-29)24(31)32)16-8-6-15(7-9-16)14-27-23(30)17-4-2-1-3-5-17/h1-13H,14H2,(H,27,30)(H,31,32)
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n/an/an/a 90n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to RPA70N protein (unknown origin) incubated for 1 hr using FITC-ATRIP/FITC-ATRIP2 peptide probe by fluorescence polarization anisot...


ACS Med Chem Lett 6: 140-5 (2015)


Article DOI: 10.1021/ml5003629
BindingDB Entry DOI: 10.7270/Q2HM5B5R
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50080768
PNG
(CHEMBL3422452)
Show SMILES OC(=O)c1cc(-c2ccc(O)cc2)n(n1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H10Cl2N2O3/c17-12-6-3-10(7-13(12)18)20-15(8-14(19-20)16(22)23)9-1-4-11(21)5-2-9/h1-8,21H,(H,22,23)
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n/an/an/a 104n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to RPA70N protein (unknown origin) incubated for 1 hr using FITC-ATRIP/FITC-ATRIP2 peptide probe by fluorescence polarization anisot...


ACS Med Chem Lett 6: 140-5 (2015)


Article DOI: 10.1021/ml5003629
BindingDB Entry DOI: 10.7270/Q2HM5B5R
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50080776
PNG
(CHEMBL3422444)
Show SMILES OC(=O)c1cc(-c2ccccc2)n(n1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H10Cl2N2O2/c17-12-7-6-11(8-13(12)18)20-15(9-14(19-20)16(21)22)10-4-2-1-3-5-10/h1-9H,(H,21,22)
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n/an/an/a 123n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to RPA70N protein (unknown origin) incubated for 1 hr using FITC-ATRIP/FITC-ATRIP2 peptide probe by fluorescence polarization anisot...


ACS Med Chem Lett 6: 140-5 (2015)


Article DOI: 10.1021/ml5003629
BindingDB Entry DOI: 10.7270/Q2HM5B5R
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50080773
PNG
(CHEMBL3422447)
Show SMILES OC(=O)c1cc(-c2cccc(c2)C(O)=O)n(n1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H10Cl2N2O4/c18-12-5-4-11(7-13(12)19)21-15(8-14(20-21)17(24)25)9-2-1-3-10(6-9)16(22)23/h1-8H,(H,22,23)(H,24,25)
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n/an/an/a 129n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to RPA70N protein (unknown origin) incubated for 1 hr using FITC-ATRIP/FITC-ATRIP2 peptide probe by fluorescence polarization anisot...


ACS Med Chem Lett 6: 140-5 (2015)


Article DOI: 10.1021/ml5003629
BindingDB Entry DOI: 10.7270/Q2HM5B5R
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50080782
PNG
(CHEMBL3422438)
Show SMILES COc1ccc(cc1)-c1cc(nn1-c1cccc(Br)c1)C(O)=O
Show InChI InChI=1S/C17H13BrN2O3/c1-23-14-7-5-11(6-8-14)16-10-15(17(21)22)19-20(16)13-4-2-3-12(18)9-13/h2-10H,1H3,(H,21,22)
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n/an/an/a 140n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to RPA70N protein (unknown origin) incubated for 1 hr using FITC-ATRIP/FITC-ATRIP2 peptide probe by fluorescence polarization anisot...


ACS Med Chem Lett 6: 140-5 (2015)


Article DOI: 10.1021/ml5003629
BindingDB Entry DOI: 10.7270/Q2HM5B5R
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50443300
PNG
(CHEMBL3088230)
Show SMILES OC(=O)c1cc(-c2ccc(CNC(=S)c3ccc(cc3Cl)-c3ccc(o3)C(O)=O)cc2)n(n1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C29H18Cl3N3O5S/c30-20-8-6-18(12-22(20)32)35-24(13-23(34-35)28(36)37)16-3-1-15(2-4-16)14-33-27(41)19-7-5-17(11-21(19)31)25-9-10-26(40-25)29(38)39/h1-13H,14H2,(H,33,41)(H,36,37)(H,38,39)
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n/an/an/a 190n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to RPA70N (1 to 120) (unknown origin) expressed in Escherichia coli BL21-DE3 cells by FPA assay


J Med Chem 56: 9242-50 (2013)


Article DOI: 10.1021/jm401333u
BindingDB Entry DOI: 10.7270/Q2B56M5D
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50443300
PNG
(CHEMBL3088230)
Show SMILES OC(=O)c1cc(-c2ccc(CNC(=S)c3ccc(cc3Cl)-c3ccc(o3)C(O)=O)cc2)n(n1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C29H18Cl3N3O5S/c30-20-8-6-18(12-22(20)32)35-24(13-23(34-35)28(36)37)16-3-1-15(2-4-16)14-33-27(41)19-7-5-17(11-21(19)31)25-9-10-26(40-25)29(38)39/h1-13H,14H2,(H,33,41)(H,36,37)(H,38,39)
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n/an/an/a 190n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of FITC-ATRIP2 from RPA70N (1 to 120) (unknown origin) by FPA assay


J Med Chem 56: 9242-50 (2013)


Article DOI: 10.1021/jm401333u
BindingDB Entry DOI: 10.7270/Q2B56M5D
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50080769
PNG
(CHEMBL3422451)
Show SMILES Nc1ccc(cc1)-c1cc(nn1-c1ccc(Cl)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C16H11Cl2N3O2/c17-12-6-5-11(7-13(12)18)21-15(8-14(20-21)16(22)23)9-1-3-10(19)4-2-9/h1-8H,19H2,(H,22,23)
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n/an/an/a 227n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to RPA70N protein (unknown origin) incubated for 1 hr using FITC-ATRIP/FITC-ATRIP2 peptide probe by fluorescence polarization anisot...


ACS Med Chem Lett 6: 140-5 (2015)


Article DOI: 10.1021/ml5003629
BindingDB Entry DOI: 10.7270/Q2HM5B5R
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50080816
PNG
(CHEMBL1576514)
Show SMILES OC(=O)c1cc(-c2ccc(Cl)cc2)n(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H10Cl2N2O2/c17-11-3-1-10(2-4-11)15-9-14(16(21)22)19-20(15)13-7-5-12(18)6-8-13/h1-9H,(H,21,22)
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n/an/an/a 260n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to RPA70N protein (unknown origin) by HSQC NMR-based titration method


ACS Med Chem Lett 6: 140-5 (2015)


Article DOI: 10.1021/ml5003629
BindingDB Entry DOI: 10.7270/Q2HM5B5R
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50443300
PNG
(CHEMBL3088230)
Show SMILES OC(=O)c1cc(-c2ccc(CNC(=S)c3ccc(cc3Cl)-c3ccc(o3)C(O)=O)cc2)n(n1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C29H18Cl3N3O5S/c30-20-8-6-18(12-22(20)32)35-24(13-23(34-35)28(36)37)16-3-1-15(2-4-16)14-33-27(41)19-7-5-17(11-21(19)31)25-9-10-26(40-25)29(38)39/h1-13H,14H2,(H,33,41)(H,36,37)(H,38,39)
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n/an/an/a 290n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to RPA70NAB (unknown origin) by FPA assay


J Med Chem 56: 9242-50 (2013)


Article DOI: 10.1021/jm401333u
BindingDB Entry DOI: 10.7270/Q2B56M5D
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50080771
PNG
(CHEMBL3422449)
Show SMILES OC(=O)c1cc(-c2ccc(cc2)C#N)n(n1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H9Cl2N3O2/c18-13-6-5-12(7-14(13)19)22-16(8-15(21-22)17(23)24)11-3-1-10(9-20)2-4-11/h1-8H,(H,23,24)
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n/an/an/a 310n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to RPA70N protein (unknown origin) incubated for 1 hr using FITC-ATRIP/FITC-ATRIP2 peptide probe by fluorescence polarization anisot...


ACS Med Chem Lett 6: 140-5 (2015)


Article DOI: 10.1021/ml5003629
BindingDB Entry DOI: 10.7270/Q2HM5B5R
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50443300
PNG
(CHEMBL3088230)
Show SMILES OC(=O)c1cc(-c2ccc(CNC(=S)c3ccc(cc3Cl)-c3ccc(o3)C(O)=O)cc2)n(n1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C29H18Cl3N3O5S/c30-20-8-6-18(12-22(20)32)35-24(13-23(34-35)28(36)37)16-3-1-15(2-4-16)14-33-27(41)19-7-5-17(11-21(19)31)25-9-10-26(40-25)29(38)39/h1-13H,14H2,(H,33,41)(H,36,37)(H,38,39)
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n/an/an/a 323n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of FITC-ATRIP2 from RPA70NAB domain (unknown origin) by FPA assay


J Med Chem 56: 9242-50 (2013)


Article DOI: 10.1021/jm401333u
BindingDB Entry DOI: 10.7270/Q2B56M5D
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50006678
PNG
(CHEMBL3236299)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)[C@@H](C)O)C(N)=O
Show InChI InChI=1S/C94H110N16O29S/c1-44(2)32-63(80(95)124)102-81(125)46(5)97-85(129)65(34-49-16-10-8-11-17-49)105-87(131)67(36-51-43-96-60-21-15-14-20-55(51)60)107-84(128)62(29-31-74(116)117)100-83(127)61(28-30-73(114)115)101-86(130)64(33-45(3)4)104-89(133)69(41-76(120)121)108-88(132)68(40-75(118)119)103-82(126)47(6)98-92(136)79(48(7)111)110-91(135)66(35-50-18-12-9-13-19-50)106-90(134)70(42-77(122)123)109-94(140)99-52-22-25-56(59(37-52)93(137)138)78-57-26-23-53(112)38-71(57)139-72-39-54(113)24-27-58(72)78/h8-27,37-39,43-48,61-70,79,96,111-112H,28-36,40-42H2,1-7H3,(H2,95,124)(H,97,129)(H,98,136)(H,100,127)(H,101,130)(H,102,125)(H,103,126)(H,104,133)(H,105,131)(H,106,134)(H,107,128)(H,108,132)(H,110,135)(H,114,115)(H,116,117)(H,118,119)(H,120,121)(H,122,123)(H,137,138)(H2,99,109,140)/t46-,47-,48+,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,79-/m0/s1
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n/an/an/a 330n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human RPA70 N-terminal domain (1 to 120 amino acids) expressed in Escherichia coli BL21-DE3 by fluorescence polarizat...


J Med Chem 57: 2455-61 (2014)


Article DOI: 10.1021/jm401730y
BindingDB Entry DOI: 10.7270/Q29888H7
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50080815
PNG
(CHEMBL3422434)
Show SMILES OC(=O)c1cc(-c2ccc(Cl)cc2)n(n1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C16H9Cl3N2O2/c17-10-3-1-9(2-4-10)15-8-13(16(22)23)20-21(15)14-6-5-11(18)7-12(14)19/h1-8H,(H,22,23)
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n/an/an/a 410n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to RPA70N protein (unknown origin) by HSQC NMR-based titration method


ACS Med Chem Lett 6: 140-5 (2015)


Article DOI: 10.1021/ml5003629
BindingDB Entry DOI: 10.7270/Q2HM5B5R
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50006665
PNG
(CHEMBL3236288)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C100H120N18O32S/c1-46(2)33-66(90(139)103-49(6)87(136)116-74(45-119)84(101)133)109-85(134)48(5)104-91(140)68(35-52-17-11-9-12-18-52)112-93(142)70(37-54-44-102-63-22-16-15-21-58(54)63)114-89(138)65(30-32-78(125)126)107-88(137)64(29-31-77(123)124)108-92(141)67(34-47(3)4)111-95(144)72(42-80(129)130)115-94(143)71(41-79(127)128)110-86(135)50(7)105-98(147)83(51(8)120)118-97(146)69(36-53-19-13-10-14-20-53)113-96(145)73(43-81(131)132)117-100(151)106-55-23-26-59(62(38-55)99(148)149)82-60-27-24-56(121)39-75(60)150-76-40-57(122)25-28-61(76)82/h9-28,38-40,44,46-51,64-74,83,102,119-121H,29-37,41-43,45H2,1-8H3,(H2,101,133)(H,103,139)(H,104,140)(H,105,147)(H,107,137)(H,108,141)(H,109,134)(H,110,135)(H,111,144)(H,112,142)(H,113,145)(H,114,138)(H,115,143)(H,116,136)(H,118,146)(H,123,124)(H,125,126)(H,127,128)(H,129,130)(H,131,132)(H,148,149)(H2,106,117,151)/t48-,49-,50-,51+,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,83-/m0/s1
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n/an/an/a 480n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human RPA70 N-terminal domain (1 to 120 amino acids) expressed in Escherichia coli BL21-DE3 by fluorescence polarizat...


J Med Chem 57: 2455-61 (2014)


Article DOI: 10.1021/jm401730y
BindingDB Entry DOI: 10.7270/Q29888H7
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50080767
PNG
(CHEMBL3422453)
Show SMILES OC(=O)c1cc(-c2ccco2)n(n1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H8Cl2N2O3/c15-9-4-3-8(6-10(9)16)18-12(13-2-1-5-21-13)7-11(17-18)14(19)20/h1-7H,(H,19,20)
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n/an/an/a>500n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to RPA70N protein (unknown origin) incubated for 1 hr using FITC-ATRIP/FITC-ATRIP2 peptide probe by fluorescence polarization anisot...


ACS Med Chem Lett 6: 140-5 (2015)


Article DOI: 10.1021/ml5003629
BindingDB Entry DOI: 10.7270/Q2HM5B5R
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50080693
PNG
(CHEMBL3422454)
Show SMILES OC(=O)c1cc(Cc2ccc(O)cc2)n(n1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H12Cl2N2O3/c18-14-6-3-11(8-15(14)19)21-12(9-16(20-21)17(23)24)7-10-1-4-13(22)5-2-10/h1-6,8-9,22H,7H2,(H,23,24)
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n/an/an/a>500n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to RPA70N protein (unknown origin) incubated for 1 hr using FITC-ATRIP/FITC-ATRIP2 peptide probe by fluorescence polarization anisot...


ACS Med Chem Lett 6: 140-5 (2015)


Article DOI: 10.1021/ml5003629
BindingDB Entry DOI: 10.7270/Q2HM5B5R
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50080815
PNG
(CHEMBL3422434)
Show SMILES OC(=O)c1cc(-c2ccc(Cl)cc2)n(n1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C16H9Cl3N2O2/c17-10-3-1-9(2-4-10)15-8-13(16(22)23)20-21(15)14-6-5-11(18)7-12(14)19/h1-8H,(H,22,23)
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n/an/an/a>500n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to RPA70N protein (unknown origin) incubated for 1 hr using FITC-ATRIP/FITC-ATRIP2 peptide probe by fluorescence polarization anisot...


ACS Med Chem Lett 6: 140-5 (2015)


Article DOI: 10.1021/ml5003629
BindingDB Entry DOI: 10.7270/Q2HM5B5R
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50443304
PNG
(CHEMBL3088227)
Show SMILES Cc1cccc(c1)-n1nc(cc1-c1ccccc1)C(O)=O
Show InChI InChI=1S/C17H14N2O2/c1-12-6-5-9-14(10-12)19-16(11-15(18-19)17(20)21)13-7-3-2-4-8-13/h2-11H,1H3,(H,20,21)
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n/an/an/a>500n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to RPA70N protein (unknown origin) incubated for 1 hr using FITC-ATRIP/FITC-ATRIP2 peptide probe by fluorescence polarization anisot...


ACS Med Chem Lett 6: 140-5 (2015)


Article DOI: 10.1021/ml5003629
BindingDB Entry DOI: 10.7270/Q2HM5B5R
More data for this
Ligand-Target Pair
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