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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))
BDBM260646
PNG
(US9533969, TDRL-505)
Show SMILES CCOc1ccc2cc(C3CC(=NN3C(=O)CCC(O)=O)c3ccc(Br)cc3)c(Cl)nc2c1
Show InChI InChI=1/C24H21BrClN3O4/c1-2-33-17-8-5-15-11-18(24(26)27-19(15)12-17)21-13-20(14-3-6-16(25)7-4-14)28-29(21)22(30)9-10-23(31)32/h3-8,11-12,21H,2,9-10,13H2,1H3,(H,31,32)
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n/an/a 1.29E+4n/an/an/an/an/an/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
Small molecule inhibitors were obtained from ChemDiv and resuspended in DMSO. Compound TDLR-505 was independently synthesized and structure confirmed...


Citation and Details
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM61188
PNG
(4-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phen...)
Show SMILES Cc1ccc(cc1)C1=NN(C(C1)c1cn(nc1-c1ccc(C)cc1)-c1ccccc1)C(=O)CCC(O)=O
Show InChI InChI=1S/C30H28N4O3/c1-20-8-12-22(13-9-20)26-18-27(34(31-26)28(35)16-17-29(36)37)25-19-33(24-6-4-3-5-7-24)32-30(25)23-14-10-21(2)11-15-23/h3-15,19,27H,16-18H2,1-2H3,(H,36,37)
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n/an/a 2.03E+4n/an/an/an/an/an/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
Small molecule inhibitors were obtained from ChemDiv and resuspended in DMSO. Compound TDLR-505 was independently synthesized and structure confirmed...


Citation and Details
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM260649
PNG
(US9533969, TDRL-522)
Show SMILES Cc1ccc(cc1)-c1nn(cc1C1CC(=NN1C(=O)CCC(O)=O)c1ccc(Br)cc1)-c1ccccc1
Show InChI InChI=1/C29H25BrN4O3/c1-19-7-9-21(10-8-19)29-24(18-33(32-29)23-5-3-2-4-6-23)26-17-25(20-11-13-22(30)14-12-20)31-34(26)27(35)15-16-28(36)37/h2-14,18,26H,15-17H2,1H3,(H,36,37)
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n/an/a 5.61E+4n/an/an/an/an/an/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
Small molecule inhibitors were obtained from ChemDiv and resuspended in DMSO. Compound TDLR-505 was independently synthesized and structure confirmed...


Citation and Details
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM260648
PNG
(US9533969, TDRL-521)
Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1cn(nc1-c1ccc(C)cc1)-c1ccccc1)C(=O)CCC(O)=O
Show InChI InChI=1/C30H28N4O4/c1-20-8-10-22(11-9-20)30-25(19-33(32-30)23-6-4-3-5-7-23)27-18-26(21-12-14-24(38-2)15-13-21)31-34(27)28(35)16-17-29(36)37/h3-15,19,27H,16-18H2,1-2H3,(H,36,37)
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n/an/a 7.17E+4n/an/an/an/an/an/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
Small molecule inhibitors were obtained from ChemDiv and resuspended in DMSO. Compound TDLR-505 was independently synthesized and structure confirmed...


Citation and Details
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM260650
PNG
(US9533969, TDRL-523)
Show SMILES COc1ccc(cc1)-c1nn(cc1C1CC(=NN1C(=O)CCC(O)=O)c1ccc(Br)cc1)-c1ccccc1
Show InChI InChI=1/C29H25BrN4O4/c1-38-23-13-9-20(10-14-23)29-24(18-33(32-29)22-5-3-2-4-6-22)26-17-25(19-7-11-21(30)12-8-19)31-34(26)27(35)15-16-28(36)37/h2-14,18,26H,15-17H2,1H3,(H,36,37)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
Small molecule inhibitors were obtained from ChemDiv and resuspended in DMSO. Compound TDLR-505 was independently synthesized and structure confirmed...


Citation and Details
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM260647
PNG
(US9533969, TDRL-518)
Show SMILES CCN(CC)c1ccc(cc1)C1CC(=NN1C(=O)CCC(O)=O)c1ccc(Br)cc1
Show InChI InChI=1/C23H26BrN3O3/c1-3-26(4-2)19-11-7-17(8-12-19)21-15-20(16-5-9-18(24)10-6-16)25-27(21)22(28)13-14-23(29)30/h5-12,21H,3-4,13-15H2,1-2H3,(H,29,30)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
Small molecule inhibitors were obtained from ChemDiv and resuspended in DMSO. Compound TDLR-505 was independently synthesized and structure confirmed...


Citation and Details
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50006654
PNG
(CHEMBL3236278)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)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(C)=O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C69H104N16O31/c1-28(2)20-39(61(108)72-31(6)58(105)83-46(27-86)55(70)102)82-69(116)54(34(9)88)85-67(114)45(26-52(100)101)78-56(103)30(5)71-59(106)37(16-18-47(90)91)75-60(107)38(17-19-48(92)93)76-62(109)40(21-29(3)4)79-65(112)44(25-51(98)99)81-64(111)43(24-50(96)97)77-57(104)32(7)73-68(115)53(33(8)87)84-66(113)41(22-36-14-12-11-13-15-36)80-63(110)42(23-49(94)95)74-35(10)89/h11-15,28-34,37-46,53-54,86-88H,16-27H2,1-10H3,(H2,70,102)(H,71,106)(H,72,108)(H,73,115)(H,74,89)(H,75,107)(H,76,109)(H,77,104)(H,78,103)(H,79,112)(H,80,110)(H,81,111)(H,82,116)(H,83,105)(H,84,113)(H,85,114)(H,90,91)(H,92,93)(H,94,95)(H,96,97)(H,98,99)(H,100,101)/t30-,31-,32-,33+,34+,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,53-,54-/m0/s1
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n/an/an/a 1.97E+5n/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)

More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50006655
PNG
(CHEMBL3236277)
Show SMILES CC(C)C[C@H](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(C)=O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C71H110N16O29/c1-30(2)22-42(63(108)74-35(9)60(105)86-56(37(11)90)71(116)84-43(23-31(3)4)64(109)73-33(7)59(104)85-49(29-88)57(72)102)80-62(107)41(19-21-51(94)95)77-61(106)40(18-20-50(92)93)78-65(110)44(24-32(5)6)81-68(113)48(28-54(100)101)83-67(112)47(27-53(98)99)79-58(103)34(8)75-70(115)55(36(10)89)87-69(114)45(25-39-16-14-13-15-17-39)82-66(111)46(26-52(96)97)76-38(12)91/h13-17,30-37,40-49,55-56,88-90H,18-29H2,1-12H3,(H2,72,102)(H,73,109)(H,74,108)(H,75,115)(H,76,91)(H,77,106)(H,78,110)(H,79,103)(H,80,107)(H,81,113)(H,82,111)(H,83,112)(H,84,116)(H,85,104)(H,86,105)(H,87,114)(H,92,93)(H,94,95)(H,96,97)(H,98,99)(H,100,101)/t33-,34-,35-,36+,37+,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,55-,56-/m0/s1
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n/an/an/a 8.50E+4n/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)

More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50006656
PNG
(CHEMBL3236276)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)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(C)=O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C71H108N16O30/c1-30(2)21-41(63(109)73-34(8)60(106)86-49(29-88)57(72)103)79-58(104)33(7)74-64(110)46(26-53(97)98)84-66(112)43(23-32(5)6)81-62(108)40(18-20-51(93)94)77-61(107)39(17-19-50(91)92)78-65(111)42(22-31(3)4)82-69(115)48(28-55(101)102)85-68(114)47(27-54(99)100)80-59(105)35(9)75-71(117)56(36(10)89)87-70(116)44(24-38-15-13-12-14-16-38)83-67(113)45(25-52(95)96)76-37(11)90/h12-16,30-36,39-49,56,88-89H,17-29H2,1-11H3,(H2,72,103)(H,73,109)(H,74,110)(H,75,117)(H,76,90)(H,77,107)(H,78,111)(H,79,104)(H,80,105)(H,81,108)(H,82,115)(H,83,113)(H,84,112)(H,85,114)(H,86,106)(H,87,116)(H,91,92)(H,93,94)(H,95,96)(H,97,98)(H,99,100)(H,101,102)/t33-,34-,35-,36+,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,56-/m0/s1
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n/an/an/a 1.70E+4n/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)

More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50006657
PNG
(CHEMBL3236275)
Show SMILES CC(C)C[C@H](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(C)=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C69H104N16O31/c1-28(2)20-39(79-65(112)44(25-51(98)99)81-64(111)43(24-50(96)97)77-57(104)32(7)73-69(116)53(33(8)87)84-66(113)41(22-36-14-12-11-13-15-36)80-63(110)42(23-49(94)95)74-35(10)89)61(108)76-37(16-18-47(90)91)59(106)75-38(17-19-48(92)93)60(107)78-40(21-29(3)4)62(109)82-45(26-52(100)101)67(114)85-54(34(9)88)68(115)72-30(5)56(103)71-31(6)58(105)83-46(27-86)55(70)102/h11-15,28-34,37-46,53-54,86-88H,16-27H2,1-10H3,(H2,70,102)(H,71,103)(H,72,115)(H,73,116)(H,74,89)(H,75,106)(H,76,108)(H,77,104)(H,78,107)(H,79,112)(H,80,110)(H,81,111)(H,82,109)(H,83,105)(H,84,113)(H,85,114)(H,90,91)(H,92,93)(H,94,95)(H,96,97)(H,98,99)(H,100,101)/t30-,31-,32-,33+,34+,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,53-,54-/m0/s1
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n/an/an/a 6.30E+4n/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)

More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50006658
PNG
(CHEMBL3235924)
Show SMILES CC(C)C[C@H](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(C)=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(N)=O
Show InChI InChI=1S/C72H110N16O30/c1-30(2)22-42(63(109)75-34(8)59(105)74-33(7)58(73)104)86-72(118)57(37(11)90)88-70(116)49(29-55(102)103)85-65(111)44(24-32(5)6)81-62(108)41(19-21-51(94)95)78-61(107)40(18-20-50(92)93)79-64(110)43(23-31(3)4)82-68(114)48(28-54(100)101)84-67(113)47(27-53(98)99)80-60(106)35(9)76-71(117)56(36(10)89)87-69(115)45(25-39-16-14-13-15-17-39)83-66(112)46(26-52(96)97)77-38(12)91/h13-17,30-37,40-49,56-57,89-90H,18-29H2,1-12H3,(H2,73,104)(H,74,105)(H,75,109)(H,76,117)(H,77,91)(H,78,107)(H,79,110)(H,80,106)(H,81,108)(H,82,114)(H,83,112)(H,84,113)(H,85,111)(H,86,118)(H,87,115)(H,88,116)(H,92,93)(H,94,95)(H,96,97)(H,98,99)(H,100,101)(H,102,103)/t33-,34-,35-,36+,37+,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,56-,57-/m0/s1
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n/an/an/a 2.60E+4n/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)

More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50006659
PNG
(CHEMBL3235923)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)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(C)=O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C69H106N16O28/c1-29(2)20-40(61(105)72-34(9)59(103)84-48(28-86)55(70)99)77-57(101)33(8)73-63(107)45(25-51(93)94)82-64(108)42(22-31(5)6)79-60(104)39(18-19-49(89)90)76-56(100)32(7)71-62(106)41(21-30(3)4)80-67(111)47(27-53(97)98)83-66(110)46(26-52(95)96)78-58(102)35(10)74-69(113)54(36(11)87)85-68(112)43(23-38-16-14-13-15-17-38)81-65(109)44(24-50(91)92)75-37(12)88/h13-17,29-36,39-48,54,86-87H,18-28H2,1-12H3,(H2,70,99)(H,71,106)(H,72,105)(H,73,107)(H,74,113)(H,75,88)(H,76,100)(H,77,101)(H,78,102)(H,79,104)(H,80,111)(H,81,109)(H,82,108)(H,83,110)(H,84,103)(H,85,112)(H,89,90)(H,91,92)(H,93,94)(H,95,96)(H,97,98)/t32-,33-,34-,35-,36+,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,54-/m0/s1
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n/an/an/a 2.00E+4n/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)

More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50006660
PNG
(CHEMBL3235922)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)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(C)=O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C77H114N16O29/c1-35(2)26-47(68(113)79-38(7)65(110)91-55(34-94)63(78)108)90-77(122)62(41(10)96)93-75(120)50(29-43-18-14-12-15-19-43)87-70(115)49(28-37(5)6)85-67(112)46(23-25-57(100)101)82-66(111)45(22-24-56(98)99)83-69(114)48(27-36(3)4)86-73(118)54(33-60(106)107)89-72(117)53(32-59(104)105)84-64(109)39(8)80-76(121)61(40(9)95)92-74(119)51(30-44-20-16-13-17-21-44)88-71(116)52(31-58(102)103)81-42(11)97/h12-21,35-41,45-55,61-62,94-96H,22-34H2,1-11H3,(H2,78,108)(H,79,113)(H,80,121)(H,81,97)(H,82,111)(H,83,114)(H,84,109)(H,85,112)(H,86,118)(H,87,115)(H,88,116)(H,89,117)(H,90,122)(H,91,110)(H,92,119)(H,93,120)(H,98,99)(H,100,101)(H,102,103)(H,104,105)(H,106,107)/t38-,39-,40+,41+,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,61-,62-/m0/s1
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n/an/an/a 2.20E+4n/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)

More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50006661
PNG
(CHEMBL3235921)
Show SMILES CC(C)C[C@H](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(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C77H109N17O31/c1-33(2)23-46(68(116)80-35(5)65(113)92-54(32-95)63(78)111)91-77(125)62(38(8)97)94-75(123)53(30-60(109)110)90-70(118)49(26-41-31-79-43-18-14-13-17-42(41)43)88-67(115)45(20-22-56(101)102)83-66(114)44(19-21-55(99)100)84-69(117)47(24-34(3)4)86-73(121)52(29-59(107)108)89-72(120)51(28-58(105)106)85-64(112)36(6)81-76(124)61(37(7)96)93-74(122)48(25-40-15-11-10-12-16-40)87-71(119)50(27-57(103)104)82-39(9)98/h10-18,31,33-38,44-54,61-62,79,95-97H,19-30,32H2,1-9H3,(H2,78,111)(H,80,116)(H,81,124)(H,82,98)(H,83,114)(H,84,117)(H,85,112)(H,86,121)(H,87,119)(H,88,115)(H,89,120)(H,90,118)(H,91,125)(H,92,113)(H,93,122)(H,94,123)(H,99,100)(H,101,102)(H,103,104)(H,105,106)(H,107,108)(H,109,110)/t35-,36-,37+,38+,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,61-,62-/m0/s1
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n/an/an/a 1.38E+5n/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)

More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50006662
PNG
(CHEMBL3235920)
Show SMILES CC(C)C[C@H](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(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C82H113N17O29/c1-38(2)28-52(73(119)85-40(5)70(116)97-60(37-100)68(83)114)96-82(128)67(43(8)102)99-80(126)54(30-45-18-12-10-13-19-45)92-75(121)56(32-47-36-84-49-23-17-16-22-48(47)49)94-72(118)51(25-27-62(106)107)88-71(117)50(24-26-61(104)105)89-74(120)53(29-39(3)4)91-78(124)59(35-65(112)113)95-77(123)58(34-64(110)111)90-69(115)41(6)86-81(127)66(42(7)101)98-79(125)55(31-46-20-14-11-15-21-46)93-76(122)57(33-63(108)109)87-44(9)103/h10-23,36,38-43,50-60,66-67,84,100-102H,24-35,37H2,1-9H3,(H2,83,114)(H,85,119)(H,86,127)(H,87,103)(H,88,117)(H,89,120)(H,90,115)(H,91,124)(H,92,121)(H,93,122)(H,94,118)(H,95,123)(H,96,128)(H,97,116)(H,98,125)(H,99,126)(H,104,105)(H,106,107)(H,108,109)(H,110,111)(H,112,113)/t40-,41-,42+,43+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,66-,67-/m0/s1
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n/an/an/a 2.70E+3n/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)

More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50006663
PNG
(CHEMBL3235919)
Show SMILES CC(C)C[C@H](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(C)=O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C80H111N17O27/c1-37(2)27-51(89-76(120)58(34-63(108)109)93-75(119)57(33-62(106)107)88-68(112)41(7)85-79(123)64(42(8)99)96-77(121)54(30-46-21-15-12-16-22-46)91-74(118)56(32-61(104)105)86-44(10)101)71(115)83-39(5)67(111)87-50(25-26-60(102)103)70(114)92-55(31-47-35-82-49-24-18-17-23-48(47)49)73(117)90-53(29-45-19-13-11-14-20-45)78(122)97-65(43(9)100)80(124)94-52(28-38(3)4)72(116)84-40(6)69(113)95-59(36-98)66(81)110/h11-24,35,37-43,50-59,64-65,82,98-100H,25-34,36H2,1-10H3,(H2,81,110)(H,83,115)(H,84,116)(H,85,123)(H,86,101)(H,87,111)(H,88,112)(H,89,120)(H,90,117)(H,91,118)(H,92,114)(H,93,119)(H,94,124)(H,95,113)(H,96,121)(H,97,122)(H,102,103)(H,104,105)(H,106,107)(H,108,109)/t39-,40-,41-,42+,43+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,64-,65-/m0/s1
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n/an/an/a 4.30E+4n/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)

More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50006664
PNG
(CHEMBL3235918)
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(C)=O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C81H111N17O28/c1-38(2)28-52(73(118)84-41(6)70(115)97-60(37-99)67(82)112)90-68(113)40(5)85-74(119)54(30-45-18-12-10-13-19-45)93-76(121)56(32-47-36-83-49-23-17-16-22-48(47)49)95-72(117)51(25-27-62(104)105)88-71(116)50(24-26-61(102)103)89-75(120)53(29-39(3)4)92-79(124)59(35-65(110)111)96-78(123)58(34-64(108)109)91-69(114)42(7)86-81(126)66(43(8)100)98-80(125)55(31-46-20-14-11-15-21-46)94-77(122)57(33-63(106)107)87-44(9)101/h10-23,36,38-43,50-60,66,83,99-100H,24-35,37H2,1-9H3,(H2,82,112)(H,84,118)(H,85,119)(H,86,126)(H,87,101)(H,88,116)(H,89,120)(H,90,113)(H,91,114)(H,92,124)(H,93,121)(H,94,122)(H,95,117)(H,96,123)(H,97,115)(H,98,125)(H,102,103)(H,104,105)(H,106,107)(H,108,109)(H,110,111)/t40-,41-,42-,43+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,66-/m0/s1
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n/an/an/a 1.20E+3n/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)

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)

More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50006666
PNG
(CHEMBL3236289)
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(N)=O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C81H112N18O27/c1-38(2)28-52(73(118)85-41(6)70(115)98-60(37-100)67(83)112)91-68(113)40(5)86-74(119)54(30-45-18-12-10-13-19-45)94-76(121)56(32-47-36-84-49-23-17-16-22-48(47)49)96-72(117)51(25-27-63(106)107)89-71(116)50(24-26-62(104)105)90-75(120)53(29-39(3)4)93-79(124)59(35-65(110)111)97-78(123)58(34-64(108)109)92-69(114)42(7)87-81(126)66(43(8)101)99-80(125)55(31-46-20-14-11-15-21-46)95-77(122)57(33-61(82)103)88-44(9)102/h10-23,36,38-43,50-60,66,84,100-101H,24-35,37H2,1-9H3,(H2,82,103)(H2,83,112)(H,85,118)(H,86,119)(H,87,126)(H,88,102)(H,89,116)(H,90,120)(H,91,113)(H,92,114)(H,93,124)(H,94,121)(H,95,122)(H,96,117)(H,97,123)(H,98,115)(H,99,125)(H,104,105)(H,106,107)(H,108,109)(H,110,111)/t40-,41-,42-,43+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,66-/m0/s1
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n/an/an/a 5.80E+3n/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)

More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50006667
PNG
(CHEMBL3236290)
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](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C80H111N17O26/c1-38(2)29-53(73(116)84-43(8)70(113)96-60(37-98)66(81)109)90-69(112)42(7)85-74(117)55(31-46-19-13-11-14-20-46)93-76(119)57(33-48-36-82-50-24-18-17-23-49(48)50)95-72(115)52(26-28-62(103)104)88-71(114)51(25-27-61(101)102)89-75(118)54(30-39(3)4)92-78(121)59(35-64(107)108)91-68(111)41(6)83-67(110)40(5)86-80(123)65(44(9)99)97-79(122)56(32-47-21-15-12-16-22-47)94-77(120)58(34-63(105)106)87-45(10)100/h11-24,36,38-44,51-60,65,82,98-99H,25-35,37H2,1-10H3,(H2,81,109)(H,83,110)(H,84,116)(H,85,117)(H,86,123)(H,87,100)(H,88,114)(H,89,118)(H,90,112)(H,91,111)(H,92,121)(H,93,119)(H,94,120)(H,95,115)(H,96,113)(H,97,122)(H,101,102)(H,103,104)(H,105,106)(H,107,108)/t40-,41-,42-,43-,44+,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,65-/m0/s1
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n/an/an/a 2.30E+3n/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)

More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50006668
PNG
(CHEMBL3236291)
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(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C81H112N18O27/c1-38(2)28-52(73(118)85-41(6)70(115)98-60(37-100)67(83)112)91-68(113)40(5)86-74(119)54(30-45-18-12-10-13-19-45)94-76(121)56(32-47-36-84-49-23-17-16-22-48(47)49)96-72(117)51(25-27-63(106)107)89-71(116)50(24-26-62(104)105)90-75(120)53(29-39(3)4)93-79(124)59(35-65(110)111)97-77(122)57(33-61(82)103)92-69(114)42(7)87-81(126)66(43(8)101)99-80(125)55(31-46-20-14-11-15-21-46)95-78(123)58(34-64(108)109)88-44(9)102/h10-23,36,38-43,50-60,66,84,100-101H,24-35,37H2,1-9H3,(H2,82,103)(H2,83,112)(H,85,118)(H,86,119)(H,87,126)(H,88,102)(H,89,116)(H,90,120)(H,91,113)(H,92,114)(H,93,124)(H,94,121)(H,95,123)(H,96,117)(H,97,122)(H,98,115)(H,99,125)(H,104,105)(H,106,107)(H,108,109)(H,110,111)/t40-,41-,42-,43+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,66-/m0/s1
UniProtKB/SwissProt

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n/an/an/a 1.90E+4n/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)

More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50006669
PNG
(CHEMBL3236292)
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](C)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(C)=O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C80H111N17O26/c1-38(2)29-53(73(116)83-42(7)70(113)96-60(37-98)66(81)109)90-67(110)40(5)84-74(117)55(31-46-19-13-11-14-20-46)93-77(120)57(33-48-36-82-50-24-18-17-23-49(48)50)95-72(115)52(26-28-62(103)104)88-71(114)51(25-27-61(101)102)89-76(119)54(30-39(3)4)91-68(111)41(6)85-75(118)59(35-64(107)108)92-69(112)43(8)86-80(123)65(44(9)99)97-79(122)56(32-47-21-15-12-16-22-47)94-78(121)58(34-63(105)106)87-45(10)100/h11-24,36,38-44,51-60,65,82,98-99H,25-35,37H2,1-10H3,(H2,81,109)(H,83,116)(H,84,117)(H,85,118)(H,86,123)(H,87,100)(H,88,114)(H,89,119)(H,90,110)(H,91,111)(H,92,112)(H,93,120)(H,94,121)(H,95,115)(H,96,113)(H,97,122)(H,101,102)(H,103,104)(H,105,106)(H,107,108)/t40-,41-,42-,43-,44+,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,65-/m0/s1
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n/an/an/a 2.80E+4n/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)

More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50006670
PNG
(CHEMBL3236293)
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(N)=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(C)=O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C81H112N18O27/c1-38(2)28-52(73(118)85-41(6)70(115)98-60(37-100)67(83)112)91-68(113)40(5)86-74(119)54(30-45-18-12-10-13-19-45)94-76(121)56(32-47-36-84-49-23-17-16-22-48(47)49)96-72(117)51(25-27-63(106)107)89-71(116)50(24-26-62(104)105)90-75(120)53(29-39(3)4)93-77(122)57(33-61(82)103)97-79(124)59(35-65(110)111)92-69(114)42(7)87-81(126)66(43(8)101)99-80(125)55(31-46-20-14-11-15-21-46)95-78(123)58(34-64(108)109)88-44(9)102/h10-23,36,38-43,50-60,66,84,100-101H,24-35,37H2,1-9H3,(H2,82,103)(H2,83,112)(H,85,118)(H,86,119)(H,87,126)(H,88,102)(H,89,116)(H,90,120)(H,91,113)(H,92,114)(H,93,122)(H,94,121)(H,95,123)(H,96,117)(H,97,124)(H,98,115)(H,99,125)(H,104,105)(H,106,107)(H,108,109)(H,110,111)/t40-,41-,42-,43+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,66-/m0/s1
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n/an/an/a 6.90E+3n/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)

More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50006671
PNG
(CHEMBL3236294)
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](C)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(C)=O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C79H109N17O26/c1-37(2)27-51(71(114)83-41(7)69(112)95-59(36-97)65(80)108)88-67(110)40(6)84-73(116)53(29-45-19-13-11-14-20-45)91-74(117)55(31-47-35-81-49-24-18-17-23-48(47)49)93-70(113)50(25-26-60(100)101)87-66(109)39(5)82-72(115)52(28-38(3)4)90-77(120)58(34-63(106)107)94-76(119)57(33-62(104)105)89-68(111)42(8)85-79(122)64(43(9)98)96-78(121)54(30-46-21-15-12-16-22-46)92-75(118)56(32-61(102)103)86-44(10)99/h11-24,35,37-43,50-59,64,81,97-98H,25-34,36H2,1-10H3,(H2,80,108)(H,82,115)(H,83,114)(H,84,116)(H,85,122)(H,86,99)(H,87,109)(H,88,110)(H,89,111)(H,90,120)(H,91,117)(H,92,118)(H,93,113)(H,94,119)(H,95,112)(H,96,121)(H,100,101)(H,102,103)(H,104,105)(H,106,107)/t39-,40-,41-,42-,43+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,64-/m0/s1
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n/an/an/a 2.80E+4n/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)

More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50006673
PNG
(CHEMBL3236296)
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(N)=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(C)=O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C81H112N18O27/c1-38(2)28-52(73(118)85-41(6)70(115)98-60(37-100)67(83)112)91-68(113)40(5)86-74(119)54(30-45-18-12-10-13-19-45)94-76(121)56(32-47-36-84-49-23-17-16-22-48(47)49)96-72(117)50(24-26-61(82)103)89-71(116)51(25-27-62(104)105)90-75(120)53(29-39(3)4)93-79(124)59(35-65(110)111)97-78(123)58(34-64(108)109)92-69(114)42(7)87-81(126)66(43(8)101)99-80(125)55(31-46-20-14-11-15-21-46)95-77(122)57(33-63(106)107)88-44(9)102/h10-23,36,38-43,50-60,66,84,100-101H,24-35,37H2,1-9H3,(H2,82,103)(H2,83,112)(H,85,118)(H,86,119)(H,87,126)(H,88,102)(H,89,116)(H,90,120)(H,91,113)(H,92,114)(H,93,124)(H,94,121)(H,95,122)(H,96,117)(H,97,123)(H,98,115)(H,99,125)(H,104,105)(H,106,107)(H,108,109)(H,110,111)/t40-,41-,42-,43+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,66-/m0/s1
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n/an/an/a 2.60E+3n/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)

More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50006674
PNG
(CHEMBL3236297)
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](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=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/C97H120N20O26S/c1-45(2)33-66(88(133)104-51(9)86(131)115-73(44-118)81(100)126)109-84(129)50(8)105-89(134)68(35-53-19-13-11-14-20-53)113-91(136)70(37-55-43-101-64-24-18-17-23-59(55)64)110-85(130)49(7)103-87(132)65(31-32-78(124)125)108-90(135)67(34-46(3)4)112-92(137)71(41-76(98)122)111-83(128)48(6)102-82(127)47(5)106-95(140)80(52(10)119)117-94(139)69(36-54-21-15-12-16-22-54)114-93(138)72(42-77(99)123)116-97(144)107-56-25-28-60(63(38-56)96(141)142)79-61-29-26-57(120)39-74(61)143-75-40-58(121)27-30-62(75)79/h11-30,38-40,43,45-52,65-73,80,101,118-120H,31-37,41-42,44H2,1-10H3,(H2,98,122)(H2,99,123)(H2,100,126)(H,102,127)(H,103,132)(H,104,133)(H,105,134)(H,106,140)(H,108,135)(H,109,129)(H,110,130)(H,111,128)(H,112,137)(H,113,136)(H,114,138)(H,115,131)(H,117,139)(H,124,125)(H,141,142)(H2,107,116,144)/t47-,48-,49-,50-,51-,52+,65-,66-,67-,68-,69-,70-,71-,72-,73-,80-/m0/s1
UniProtKB/SwissProt

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n/an/an/a 2.10E+4n/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)

More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50006676
PNG
(CHEMBL3236298)
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(N)=O
Show InChI InChI=1S/C97H115N17O30S/c1-45(2)33-65(87(133)100-47(5)82(98)128)106-83(129)48(6)101-88(134)67(35-51-17-11-9-12-18-51)109-90(136)69(37-53-44-99-62-22-16-15-21-57(53)62)111-86(132)64(30-32-76(120)121)104-85(131)63(29-31-75(118)119)105-89(135)66(34-46(3)4)108-92(138)71(42-78(124)125)112-91(137)70(41-77(122)123)107-84(130)49(7)102-95(141)81(50(8)115)114-94(140)68(36-52-19-13-10-14-20-52)110-93(139)72(43-79(126)127)113-97(145)103-54-23-26-58(61(38-54)96(142)143)80-59-27-24-55(116)39-73(59)144-74-40-56(117)25-28-60(74)80/h9-28,38-40,44-50,63-72,81,99,115-116H,29-37,41-43H2,1-8H3,(H2,98,128)(H,100,133)(H,101,134)(H,102,141)(H,104,131)(H,105,135)(H,106,129)(H,107,130)(H,108,138)(H,109,136)(H,110,139)(H,111,132)(H,112,137)(H,114,140)(H,118,119)(H,120,121)(H,122,123)(H,124,125)(H,126,127)(H,142,143)(H2,103,113,145)/t47-,48-,49-,50+,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,81-/m0/s1
UniProtKB/SwissProt

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n/an/an/a 580n/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)

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
UniProtKB/SwissProt

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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)

More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50006679
PNG
(CHEMBL3236300)
Show SMILES CC(C)C[C@H](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](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(N)=O
Show InChI InChI=1S/C88H99N15O28S/c1-41(2)30-59(80(122)95-57(26-28-68(107)108)77(119)94-58(27-29-69(109)110)78(120)100-62(33-47-40-90-56-19-13-12-18-51(47)56)81(123)98-60(31-45-14-8-6-9-15-45)79(121)91-42(3)75(89)117)97-83(125)64(38-71(113)114)101-82(124)63(37-70(111)112)96-76(118)43(4)92-86(128)74(44(5)104)103-85(127)61(32-46-16-10-7-11-17-46)99-84(126)65(39-72(115)116)102-88(132)93-48-20-23-52(55(34-48)87(129)130)73-53-24-21-49(105)35-66(53)131-67-36-50(106)22-25-54(67)73/h6-25,34-36,40-44,57-65,74,90,104-105H,26-33,37-39H2,1-5H3,(H2,89,117)(H,91,121)(H,92,128)(H,94,119)(H,95,122)(H,96,118)(H,97,125)(H,98,123)(H,99,126)(H,100,120)(H,101,124)(H,103,127)(H,107,108)(H,109,110)(H,111,112)(H,113,114)(H,115,116)(H,129,130)(H2,93,102,132)/t42-,43-,44+,57-,58-,59-,60-,61-,62-,63-,64-,65-,74-/m0/s1
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n/an/an/a 910n/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)

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)

More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50006681
PNG
(CHEMBL3236302)
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@@]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(O)=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/C99H119N15O26S/c1-51(2)40-69-86(127)104-68(36-37-78(118)119)91(132)114-99(9,96(139)109-72(44-58-50-100-67-29-21-20-28-62(58)67)87(128)106-70(42-56-24-16-14-17-25-56)85(126)101-53(5)83(124)108-75(94(136)137)41-52(3)4)39-23-13-11-10-12-22-38-98(8,95(138)110-73(48-79(120)121)88(129)105-69)113-84(125)54(6)102-92(133)82(55(7)115)112-90(131)71(43-57-26-18-15-19-27-57)107-89(130)74(49-80(122)123)111-97(141)103-59-30-33-63(66(45-59)93(134)135)81-64-34-31-60(116)46-76(64)140-77-47-61(117)32-35-65(77)81/h10-11,14-21,24-35,45-47,50-55,68-75,82,100,115-116H,12-13,22-23,36-44,48-49H2,1-9H3,(H,101,126)(H,102,133)(H,104,127)(H,105,129)(H,106,128)(H,107,130)(H,108,124)(H,109,139)(H,110,138)(H,112,131)(H,113,125)(H,114,132)(H,118,119)(H,120,121)(H,122,123)(H,134,135)(H,136,137)(H2,103,111,141)/b11-10-/t53-,54-,55+,68-,69-,70-,71-,72-,73-,74-,75-,82-,98+,99+/m0/s1
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n/an/an/a 570n/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)

More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50006682
PNG
(CHEMBL3236303)
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@@]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/C99H120N16O25S/c1-51(2)40-69-86(127)105-68(36-37-79(120)121)91(132)115-99(9,96(139)110-72(44-58-50-101-67-29-21-20-28-62(58)67)87(128)107-70(42-56-24-16-14-17-25-56)85(126)102-53(5)83(124)109-75(94(136)137)41-52(3)4)39-23-13-11-10-12-22-38-98(8,95(138)111-74(49-80(122)123)89(130)106-69)114-84(125)54(6)103-92(133)82(55(7)116)113-90(131)71(43-57-26-18-15-19-27-57)108-88(129)73(48-78(100)119)112-97(141)104-59-30-33-63(66(45-59)93(134)135)81-64-34-31-60(117)46-76(64)140-77-47-61(118)32-35-65(77)81/h10-11,14-21,24-35,45-47,50-55,68-75,82,101,116-117H,12-13,22-23,36-44,48-49H2,1-9H3,(H2,100,119)(H,102,126)(H,103,133)(H,105,127)(H,106,130)(H,107,128)(H,108,129)(H,109,124)(H,110,139)(H,111,138)(H,113,131)(H,114,125)(H,115,132)(H,120,121)(H,122,123)(H,134,135)(H,136,137)(H2,104,112,141)/b11-10-/t53-,54-,55+,68-,69-,70-,71-,72-,73-,74-,75-,82-,98+,99+/m0/s1
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n/an/an/a 1.50E+3n/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)

More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50006672
PNG
(CHEMBL3236295)
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](C)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(C)=O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C79H109N17O26/c1-37(2)27-51(71(114)83-41(7)69(112)95-59(36-97)65(80)108)88-66(109)40(6)84-72(115)53(29-45-19-13-11-14-20-45)92-74(117)55(31-47-35-81-49-24-18-17-23-48(47)49)89-67(110)39(5)82-70(113)50(25-26-60(100)101)87-73(116)52(28-38(3)4)91-77(120)58(34-63(106)107)94-76(119)57(33-62(104)105)90-68(111)42(8)85-79(122)64(43(9)98)96-78(121)54(30-46-21-15-12-16-22-46)93-75(118)56(32-61(102)103)86-44(10)99/h11-24,35,37-43,50-59,64,81,97-98H,25-34,36H2,1-10H3,(H2,80,108)(H,82,113)(H,83,114)(H,84,115)(H,85,122)(H,86,99)(H,87,116)(H,88,109)(H,89,110)(H,90,111)(H,91,120)(H,92,117)(H,93,118)(H,94,119)(H,95,112)(H,96,121)(H,100,101)(H,102,103)(H,104,105)(H,106,107)/t39-,40-,41-,42-,43+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,64-/m0/s1
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n/an/an/a 2.40E+3n/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)

More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50006723
PNG
(CHEMBL3236542)
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@@]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(O)=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/C99H120N16O25S/c1-51(2)40-69-86(127)105-68(36-37-79(120)121)91(132)115-99(9,96(139)110-72(44-58-50-101-67-29-21-20-28-62(58)67)87(128)107-70(42-56-24-16-14-17-25-56)85(126)102-53(5)83(124)109-75(94(136)137)41-52(3)4)39-23-13-11-10-12-22-38-98(8,95(138)111-73(48-78(100)119)88(129)106-69)114-84(125)54(6)103-92(133)82(55(7)116)113-90(131)71(43-57-26-18-15-19-27-57)108-89(130)74(49-80(122)123)112-97(141)104-59-30-33-63(66(45-59)93(134)135)81-64-34-31-60(117)46-76(64)140-77-47-61(118)32-35-65(77)81/h10-11,14-21,24-35,45-47,50-55,68-75,82,101,116-117H,12-13,22-23,36-44,48-49H2,1-9H3,(H2,100,119)(H,102,126)(H,103,133)(H,105,127)(H,106,129)(H,107,128)(H,108,130)(H,109,124)(H,110,139)(H,111,138)(H,113,131)(H,114,125)(H,115,132)(H,120,121)(H,122,123)(H,134,135)(H,136,137)(H2,104,112,141)/b11-10-/t53-,54-,55+,68-,69-,70-,71-,72-,73-,74-,75-,82-,98+,99+/m0/s1
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n/an/an/a 3.70E+3n/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)

More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50006724
PNG
(CHEMBL3236543)
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@@]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/C99H121N17O24S/c1-51(2)40-69-86(127)106-68(36-37-80(122)123)91(132)116-99(9,96(139)111-72(44-58-50-102-67-29-21-20-28-62(58)67)87(128)108-70(42-56-24-16-14-17-25-56)85(126)103-53(5)83(124)110-75(94(136)137)41-52(3)4)39-23-13-11-10-12-22-38-98(8,95(138)112-73(48-78(100)120)88(129)107-69)115-84(125)54(6)104-92(133)82(55(7)117)114-90(131)71(43-57-26-18-15-19-27-57)109-89(130)74(49-79(101)121)113-97(141)105-59-30-33-63(66(45-59)93(134)135)81-64-34-31-60(118)46-76(64)140-77-47-61(119)32-35-65(77)81/h10-11,14-21,24-35,45-47,50-55,68-75,82,102,117-118H,12-13,22-23,36-44,48-49H2,1-9H3,(H2,100,120)(H2,101,121)(H,103,126)(H,104,133)(H,106,127)(H,107,129)(H,108,128)(H,109,130)(H,110,124)(H,111,139)(H,112,138)(H,114,131)(H,115,125)(H,116,132)(H,122,123)(H,134,135)(H,136,137)(H2,105,113,141)/b11-10-/t53-,54-,55+,68-,69-,70-,71-,72-,73-,74-,75-,82-,98+,99+/m0/s1
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n/an/an/a 7.40E+3n/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)

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)

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
UniProtKB/SwissProt

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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)

More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50006727
PNG
(CHEMBL3236546)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(N)=O
Show InChI InChI=1S/C83H118N18O29S/c1-8-41(4)67(98-78(125)56(36-65(112)113)94-76(123)55(35-64(110)111)95-79(126)60-21-15-30-101(60)83(130)58(39-102)97-74(121)52(32-40(2)3)91-73(120)51(28-31-131-7)87-43(6)104)80(127)89-49(23-26-62(106)107)70(117)88-48(22-25-61(84)105)71(118)93-54(34-45-38-86-47-19-13-12-18-46(45)47)75(122)92-53(33-44-16-10-9-11-17-44)77(124)99-68(42(5)103)81(128)90-50(24-27-63(108)109)72(119)96-57(37-66(114)115)82(129)100-29-14-20-59(100)69(85)116/h9-13,16-19,38,40-42,48-60,67-68,86,102-103H,8,14-15,20-37,39H2,1-7H3,(H2,84,105)(H2,85,116)(H,87,104)(H,88,117)(H,89,127)(H,90,128)(H,91,120)(H,92,122)(H,93,118)(H,94,123)(H,95,126)(H,96,119)(H,97,121)(H,98,125)(H,99,124)(H,106,107)(H,108,109)(H,110,111)(H,112,113)(H,114,115)/t41-,42+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,67-,68-/m0/s1
UniProtKB/SwissProt

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n/an/an/a 1.00E+5n/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)

More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50006728
PNG
(CHEMBL3236547)
Show SMILES CC(C)C[C@H](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](CC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C91H119N17O35S/c1-38(2)26-55(80(131)93-41(7)77(128)105-63(37-109)75(92)126)104-89(140)74(44(10)111)108-87(138)61(35-70(122)123)103-82(133)57(28-40(5)6)99-79(130)54(23-25-67(116)117)96-78(129)53(22-24-66(114)115)97-81(132)56(27-39(3)4)100-84(135)60(34-69(120)121)102-83(134)59(33-68(118)119)98-76(127)42(8)94-88(139)73(43(9)110)107-86(137)58(29-45-14-12-11-13-15-45)101-85(136)62(36-71(124)125)106-91(144)95-46-16-19-49(52(30-46)90(141)142)72-50-20-17-47(112)31-64(50)143-65-32-48(113)18-21-51(65)72/h11-21,30-32,38-44,53-63,73-74,109-112H,22-29,33-37H2,1-10H3,(H2,92,126)(H,93,131)(H,94,139)(H,96,129)(H,97,132)(H,98,127)(H,99,130)(H,100,135)(H,101,136)(H,102,134)(H,103,133)(H,104,140)(H,105,128)(H,107,137)(H,108,138)(H,114,115)(H,116,117)(H,118,119)(H,120,121)(H,122,123)(H,124,125)(H,141,142)(H2,95,106,144)/t41-,42-,43+,44+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,73-,74-/m0/s1
UniProtKB/SwissProt

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n/an/an/a 6.40E+3n/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)

More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50006724
PNG
(CHEMBL3236543)
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@@]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/C99H121N17O24S/c1-51(2)40-69-86(127)106-68(36-37-80(122)123)91(132)116-99(9,96(139)111-72(44-58-50-102-67-29-21-20-28-62(58)67)87(128)108-70(42-56-24-16-14-17-25-56)85(126)103-53(5)83(124)110-75(94(136)137)41-52(3)4)39-23-13-11-10-12-22-38-98(8,95(138)112-73(48-78(100)120)88(129)107-69)115-84(125)54(6)104-92(133)82(55(7)117)114-90(131)71(43-57-26-18-15-19-27-57)109-89(130)74(49-79(101)121)113-97(141)105-59-30-33-63(66(45-59)93(134)135)81-64-34-31-60(118)46-76(64)140-77-47-61(119)32-35-65(77)81/h10-11,14-21,24-35,45-47,50-55,68-75,82,102,117-118H,12-13,22-23,36-44,48-49H2,1-9H3,(H2,100,120)(H2,101,121)(H,103,126)(H,104,133)(H,106,127)(H,107,129)(H,108,128)(H,109,130)(H,110,124)(H,111,139)(H,112,138)(H,114,131)(H,115,125)(H,116,132)(H,122,123)(H,134,135)(H,136,137)(H2,105,113,141)/b11-10-/t53-,54-,55+,68-,69-,70-,71-,72-,73-,74-,75-,82-,98+,99+/m0/s1
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n/an/an/a 1.20E+4n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human RPA70 A/B region (181 to 422 amino acids) expressed in Escherichia coli Rosetta by fluorescence polarization an...


J Med Chem 57: 2455-61 (2014)

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
UniProtKB/SwissProt

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n/an/an/a 2.40E+3n/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human RPA70 A/B region (181 to 422 amino acids) expressed in Escherichia coli Rosetta by fluorescence polarization an...


J Med Chem 57: 2455-61 (2014)

More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50006729
PNG
(CHEMBL3236287)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)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(C)=O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C72H110N16O31/c1-30(2)21-41(63(110)74-33(7)60(107)86-49(29-89)58(73)105)85-72(119)57(36(10)91)88-70(117)48(28-55(103)104)84-65(112)43(23-32(5)6)80-62(109)40(18-20-51(95)96)77-61(108)39(17-19-50(93)94)78-64(111)42(22-31(3)4)81-68(115)47(27-54(101)102)83-67(114)46(26-53(99)100)79-59(106)34(8)75-71(118)56(35(9)90)87-69(116)44(24-38-15-13-12-14-16-38)82-66(113)45(25-52(97)98)76-37(11)92/h12-16,30-36,39-49,56-57,89-91H,17-29H2,1-11H3,(H2,73,105)(H,74,110)(H,75,118)(H,76,92)(H,77,108)(H,78,111)(H,79,106)(H,80,109)(H,81,115)(H,82,113)(H,83,114)(H,84,112)(H,85,119)(H,86,107)(H,87,116)(H,88,117)(H,93,94)(H,95,96)(H,97,98)(H,99,100)(H,101,102)(H,103,104)/t33-,34-,35+,36+,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,56-,57-/m0/s1
UniProtKB/SwissProt

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n/an/an/a 2.90E+4n/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)

More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50006731
PNG
(CHEMBL3236286)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)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](C)NC(C)=O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C71H110N16O29/c1-30(2)22-42(63(108)74-34(8)60(105)85-49(29-88)57(72)102)84-71(116)56(37(11)90)87-69(114)48(28-54(100)101)83-65(110)44(24-32(5)6)80-62(107)41(19-21-51(94)95)76-61(106)40(18-20-50(92)93)77-64(109)43(23-31(3)4)81-67(112)47(27-53(98)99)82-66(111)46(26-52(96)97)79-59(104)35(9)75-70(115)55(36(10)89)86-68(113)45(25-39-16-14-13-15-17-39)78-58(103)33(7)73-38(12)91/h13-17,30-37,40-49,55-56,88-90H,18-29H2,1-12H3,(H2,72,102)(H,73,91)(H,74,108)(H,75,115)(H,76,106)(H,77,109)(H,78,103)(H,79,104)(H,80,107)(H,81,112)(H,82,111)(H,83,110)(H,84,116)(H,85,105)(H,86,113)(H,87,114)(H,92,93)(H,94,95)(H,96,97)(H,98,99)(H,100,101)/t33-,34-,35-,36+,37+,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,55-,56-/m0/s1
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n/an/an/a 1.52E+5n/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)

More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50006732
PNG
(CHEMBL3236285)
Show SMILES CC(C)C[C@H](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](C)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C66H106N16O31/c1-25(2)17-36(58(105)68-28(7)54(101)80-43(24-83)52(67)99)79-66(113)51(32(11)85)82-64(111)42(23-49(97)98)78-61(108)38(19-27(5)6)75-57(104)35(14-16-45(89)90)72-56(103)34(13-15-44(87)88)73-60(107)37(18-26(3)4)76-63(110)41(22-48(95)96)77-62(109)40(21-47(93)94)74-53(100)29(8)70-65(112)50(31(10)84)81-55(102)30(9)69-59(106)39(20-46(91)92)71-33(12)86/h25-32,34-43,50-51,83-85H,13-24H2,1-12H3,(H2,67,99)(H,68,105)(H,69,106)(H,70,112)(H,71,86)(H,72,103)(H,73,107)(H,74,100)(H,75,104)(H,76,110)(H,77,109)(H,78,108)(H,79,113)(H,80,101)(H,81,102)(H,82,111)(H,87,88)(H,89,90)(H,91,92)(H,93,94)(H,95,96)(H,97,98)/t28-,29-,30-,31+,32+,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,50-,51-/m0/s1
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n/an/an/a>1.00E+6n/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)

More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50006733
PNG
(CHEMBL3236284)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)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](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C71H108N16O30/c1-30(2)21-41(63(109)75-35(9)60(106)86-49(29-88)57(72)103)85-71(117)56(36(10)89)87-70(116)48(28-55(101)102)84-66(112)43(23-32(5)6)80-62(108)40(18-20-51(93)94)77-61(107)39(17-19-50(91)92)78-65(111)42(22-31(3)4)81-69(115)47(27-54(99)100)83-68(114)46(26-53(97)98)79-59(105)34(8)73-58(104)33(7)74-64(110)44(24-38-15-13-12-14-16-38)82-67(113)45(25-52(95)96)76-37(11)90/h12-16,30-36,39-49,56,88-89H,17-29H2,1-11H3,(H2,72,103)(H,73,104)(H,74,110)(H,75,109)(H,76,90)(H,77,107)(H,78,111)(H,79,105)(H,80,108)(H,81,115)(H,82,113)(H,83,114)(H,84,112)(H,85,117)(H,86,106)(H,87,116)(H,91,92)(H,93,94)(H,95,96)(H,97,98)(H,99,100)(H,101,102)/t33-,34-,35-,36+,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,56-/m0/s1
UniProtKB/SwissProt

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n/an/an/a 1.52E+5n/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)

More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50006734
PNG
(CHEMBL3236283)
Show SMILES CC(C)C[C@H](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](C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C71H110N16O29/c1-30(2)22-42(63(108)74-35(9)60(105)85-49(29-88)57(72)102)84-71(116)56(37(11)90)87-69(114)48(28-54(100)101)83-65(110)44(24-32(5)6)80-62(107)41(19-21-51(94)95)77-61(106)40(18-20-50(92)93)78-64(109)43(23-31(3)4)81-67(112)47(27-53(98)99)79-59(104)34(8)73-58(103)33(7)75-70(115)55(36(10)89)86-68(113)45(25-39-16-14-13-15-17-39)82-66(111)46(26-52(96)97)76-38(12)91/h13-17,30-37,40-49,55-56,88-90H,18-29H2,1-12H3,(H2,72,102)(H,73,103)(H,74,108)(H,75,115)(H,76,91)(H,77,106)(H,78,109)(H,79,104)(H,80,107)(H,81,112)(H,82,111)(H,83,110)(H,84,116)(H,85,105)(H,86,113)(H,87,114)(H,92,93)(H,94,95)(H,96,97)(H,98,99)(H,100,101)/t33-,34-,35-,36+,37+,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,55-,56-/m0/s1
UniProtKB/SwissProt

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n/an/an/a 3.10E+4n/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)

More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50006735
PNG
(CHEMBL3236282)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)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(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C71H110N16O29/c1-30(2)22-42(63(108)73-34(8)60(105)85-49(29-88)57(72)102)84-71(116)56(37(11)90)87-69(114)48(28-54(100)101)83-66(111)44(24-32(5)6)81-62(107)41(19-21-51(94)95)77-61(106)40(18-20-50(92)93)78-65(110)43(23-31(3)4)79-58(103)33(7)74-64(109)47(27-53(98)99)80-59(104)35(9)75-70(115)55(36(10)89)86-68(113)45(25-39-16-14-13-15-17-39)82-67(112)46(26-52(96)97)76-38(12)91/h13-17,30-37,40-49,55-56,88-90H,18-29H2,1-12H3,(H2,72,102)(H,73,108)(H,74,109)(H,75,115)(H,76,91)(H,77,106)(H,78,110)(H,79,103)(H,80,104)(H,81,107)(H,82,112)(H,83,111)(H,84,116)(H,85,105)(H,86,113)(H,87,114)(H,92,93)(H,94,95)(H,96,97)(H,98,99)(H,100,101)/t33-,34-,35-,36+,37+,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,55-,56-/m0/s1
UniProtKB/SwissProt

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n/an/an/a 2.25E+5n/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)

More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50006736
PNG
(CHEMBL3236281)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](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(C)=O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C69H104N16O31/c1-28(2)20-39(61(108)71-31(6)58(105)83-46(27-86)55(70)102)82-69(116)54(34(9)88)85-67(114)45(26-52(100)101)81-63(110)40(21-29(3)4)78-60(107)38(17-19-48(92)93)76-59(106)37(16-18-47(90)91)75-56(103)30(5)72-62(109)43(24-50(96)97)80-65(112)44(25-51(98)99)77-57(104)32(7)73-68(115)53(33(8)87)84-66(113)41(22-36-14-12-11-13-15-36)79-64(111)42(23-49(94)95)74-35(10)89/h11-15,28-34,37-46,53-54,86-88H,16-27H2,1-10H3,(H2,70,102)(H,71,108)(H,72,109)(H,73,115)(H,74,89)(H,75,103)(H,76,106)(H,77,104)(H,78,107)(H,79,111)(H,80,112)(H,81,110)(H,82,116)(H,83,105)(H,84,113)(H,85,114)(H,90,91)(H,92,93)(H,94,95)(H,96,97)(H,98,99)(H,100,101)/t30-,31-,32-,33+,34+,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,53-,54-/m0/s1
UniProtKB/SwissProt

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n/an/an/a 1.72E+5n/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)

More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50006737
PNG
(CHEMBL3236280)
Show SMILES CC(C)C[C@H](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(C)=O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C70H107N15O30/c1-29(2)20-40(78-65(109)46(26-52(96)97)80-64(108)45(25-51(94)95)76-57(101)34(9)73-68(112)54(35(10)87)84-66(110)43(23-38-16-14-13-15-17-38)79-63(107)44(24-50(92)93)74-37(12)89)60(104)71-32(7)56(100)75-39(18-19-49(90)91)59(103)77-42(22-31(5)6)62(106)81-47(27-53(98)99)67(111)85-55(36(11)88)69(113)82-41(21-30(3)4)61(105)72-33(8)58(102)83-48(28-86)70(114)115/h13-17,29-36,39-48,54-55,86-88H,18-28H2,1-12H3,(H,71,104)(H,72,105)(H,73,112)(H,74,89)(H,75,100)(H,76,101)(H,77,103)(H,78,109)(H,79,107)(H,80,108)(H,81,106)(H,82,113)(H,83,102)(H,84,110)(H,85,111)(H,90,91)(H,92,93)(H,94,95)(H,96,97)(H,98,99)(H,114,115)/t32-,33-,34-,35+,36+,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,54-,55-/m0/s1
UniProtKB/SwissProt

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n/an/an/a 2.20E+4n/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)

More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM50006738
PNG
(CHEMBL3236279)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)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(C)=O)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C70H108N16O29/c1-29(2)20-40(61(106)73-33(8)59(104)84-48(28-87)56(71)101)83-70(115)55(36(11)89)86-68(113)47(27-53(99)100)82-63(108)41(21-30(3)4)77-57(102)32(7)72-60(105)39(18-19-49(91)92)76-62(107)42(22-31(5)6)79-66(111)46(26-52(97)98)81-65(110)45(25-51(95)96)78-58(103)34(9)74-69(114)54(35(10)88)85-67(112)43(23-38-16-14-13-15-17-38)80-64(109)44(24-50(93)94)75-37(12)90/h13-17,29-36,39-48,54-55,87-89H,18-28H2,1-12H3,(H2,71,101)(H,72,105)(H,73,106)(H,74,114)(H,75,90)(H,76,107)(H,77,102)(H,78,103)(H,79,111)(H,80,109)(H,81,110)(H,82,108)(H,83,115)(H,84,104)(H,85,112)(H,86,113)(H,91,92)(H,93,94)(H,95,96)(H,97,98)(H,99,100)/t32-,33-,34-,35+,36+,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,54-,55-/m0/s1
UniProtKB/SwissProt

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n/an/an/a 1.67E+5n/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)

More data for this
Ligand-Target Pair
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