Found 2 hits Enz. Inhib. hit(s) with Target = 'Replication protein A 70 kDa DNA-binding subunit' and Ligand = 'BDBM50006726' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Replication protein A 70 kDa DNA-binding subunit
(Homo sapiens (Human)) | BDBM50006726
(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 |r,wU:123.131,109.118,60.63,4.3,75.79,13.13,50.53,40.43,wD:115.123,131.139,64.67,55.58,26.27,8.8,c:48,(68.86,-13.3,;68.86,-14.83,;70.19,-15.6,;67.52,-15.6,;67.52,-17.13,;66.19,-17.9,;64.87,-17.12,;64.87,-15.59,;63.54,-17.89,;63.54,-19.44,;62.2,-17.12,;60.88,-17.89,;60.88,-19.43,;59.54,-17.12,;59.54,-15.59,;60.88,-14.82,;62.21,-15.59,;63.54,-14.82,;63.54,-13.29,;64.88,-12.53,;62.21,-12.51,;62.22,-10.97,;60.88,-13.29,;58.21,-17.88,;56.87,-17.11,;56.87,-15.58,;55.54,-17.88,;55.54,-19.42,;56.87,-20.19,;58.28,-19.57,;59.31,-20.71,;58.53,-22.04,;59.02,-23.51,;57.98,-24.65,;56.47,-24.33,;56.01,-22.86,;57.03,-21.72,;54.22,-17.11,;52.89,-17.88,;52.89,-19.42,;51.55,-17.11,;52.64,-16,;50.78,-15.76,;51.54,-14.43,;50.78,-13.1,;51.54,-11.77,;50.78,-10.44,;37.84,-13.7,;37.45,-15.18,;35.97,-15.6,;35.58,-17.08,;34.8,-15.75,;34.26,-17.86,;32.92,-17.08,;32.92,-15.55,;31.59,-17.86,;31.59,-19.39,;30.25,-17.08,;28.93,-17.85,;28.93,-19.39,;27.59,-17.07,;26.26,-17.85,;24.94,-17.07,;24.94,-15.54,;23.61,-17.85,;23.61,-19.38,;24.94,-20.15,;26.26,-19.39,;27.59,-20.16,;27.59,-21.69,;26.26,-22.46,;24.93,-21.69,;22.28,-17.07,;20.94,-17.85,;20.94,-19.38,;19.6,-17.07,;19.6,-15.53,;20.94,-14.77,;22.28,-15.53,;20.94,-13.23,;18.27,-17.85,;16.89,-17.02,;16.91,-15.41,;15.48,-17.81,;14.09,-16.99,;12.7,-17.77,;11.31,-16.94,;11.32,-15.32,;12.74,-14.54,;14.13,-15.37,;13.17,-12.98,;14.73,-12.57,;12.03,-11.83,;9.93,-14.49,;8.53,-15.27,;8.51,-16.88,;7.08,-17.67,;5.7,-16.84,;4.27,-17.63,;5.73,-15.22,;7.14,-14.44,;7.15,-12.82,;8.58,-12.05,;8.6,-10.43,;10.02,-9.63,;10.03,-8,;11.4,-10.47,;11.37,-12.08,;9.96,-12.87,;27.59,-15.54,;26.26,-14.78,;28.93,-14.78,;36.91,-17.86,;36.91,-19.4,;38.24,-17.09,;39.58,-17.87,;39.58,-19.4,;40.9,-20.17,;42.23,-19.4,;40.9,-21.71,;40.9,-17.09,;40.9,-15.56,;42.24,-17.87,;43.57,-17.09,;43.57,-15.57,;44.9,-14.79,;44.9,-13.27,;46.23,-15.57,;44.9,-17.88,;44.9,-19.41,;46.23,-17.1,;47.56,-17.88,;47.56,-19.41,;48.89,-20.17,;48.89,-21.72,;47.56,-22.49,;50.22,-22.49,;48.89,-17.1,;48.89,-15.57,;50.23,-17.88,;68.86,-17.9,;70.18,-17.13,;68.86,-19.44,)| 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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/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)
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)) | BDBM50006726
(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 |r,wU:123.131,109.118,60.63,4.3,75.79,13.13,50.53,40.43,wD:115.123,131.139,64.67,55.58,26.27,8.8,c:48,(68.86,-13.3,;68.86,-14.83,;70.19,-15.6,;67.52,-15.6,;67.52,-17.13,;66.19,-17.9,;64.87,-17.12,;64.87,-15.59,;63.54,-17.89,;63.54,-19.44,;62.2,-17.12,;60.88,-17.89,;60.88,-19.43,;59.54,-17.12,;59.54,-15.59,;60.88,-14.82,;62.21,-15.59,;63.54,-14.82,;63.54,-13.29,;64.88,-12.53,;62.21,-12.51,;62.22,-10.97,;60.88,-13.29,;58.21,-17.88,;56.87,-17.11,;56.87,-15.58,;55.54,-17.88,;55.54,-19.42,;56.87,-20.19,;58.28,-19.57,;59.31,-20.71,;58.53,-22.04,;59.02,-23.51,;57.98,-24.65,;56.47,-24.33,;56.01,-22.86,;57.03,-21.72,;54.22,-17.11,;52.89,-17.88,;52.89,-19.42,;51.55,-17.11,;52.64,-16,;50.78,-15.76,;51.54,-14.43,;50.78,-13.1,;51.54,-11.77,;50.78,-10.44,;37.84,-13.7,;37.45,-15.18,;35.97,-15.6,;35.58,-17.08,;34.8,-15.75,;34.26,-17.86,;32.92,-17.08,;32.92,-15.55,;31.59,-17.86,;31.59,-19.39,;30.25,-17.08,;28.93,-17.85,;28.93,-19.39,;27.59,-17.07,;26.26,-17.85,;24.94,-17.07,;24.94,-15.54,;23.61,-17.85,;23.61,-19.38,;24.94,-20.15,;26.26,-19.39,;27.59,-20.16,;27.59,-21.69,;26.26,-22.46,;24.93,-21.69,;22.28,-17.07,;20.94,-17.85,;20.94,-19.38,;19.6,-17.07,;19.6,-15.53,;20.94,-14.77,;22.28,-15.53,;20.94,-13.23,;18.27,-17.85,;16.89,-17.02,;16.91,-15.41,;15.48,-17.81,;14.09,-16.99,;12.7,-17.77,;11.31,-16.94,;11.32,-15.32,;12.74,-14.54,;14.13,-15.37,;13.17,-12.98,;14.73,-12.57,;12.03,-11.83,;9.93,-14.49,;8.53,-15.27,;8.51,-16.88,;7.08,-17.67,;5.7,-16.84,;4.27,-17.63,;5.73,-15.22,;7.14,-14.44,;7.15,-12.82,;8.58,-12.05,;8.6,-10.43,;10.02,-9.63,;10.03,-8,;11.4,-10.47,;11.37,-12.08,;9.96,-12.87,;27.59,-15.54,;26.26,-14.78,;28.93,-14.78,;36.91,-17.86,;36.91,-19.4,;38.24,-17.09,;39.58,-17.87,;39.58,-19.4,;40.9,-20.17,;42.23,-19.4,;40.9,-21.71,;40.9,-17.09,;40.9,-15.56,;42.24,-17.87,;43.57,-17.09,;43.57,-15.57,;44.9,-14.79,;44.9,-13.27,;46.23,-15.57,;44.9,-17.88,;44.9,-19.41,;46.23,-17.1,;47.56,-17.88,;47.56,-19.41,;48.89,-20.17,;48.89,-21.72,;47.56,-22.49,;50.22,-22.49,;48.89,-17.1,;48.89,-15.57,;50.23,-17.88,;68.86,-17.9,;70.18,-17.13,;68.86,-19.44,)| 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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/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 | |
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