Found 2 hits Enz. Inhib. hit(s) with Target = 'Replication protein A 70 kDa DNA-binding subunit' and Ligand = 'BDBM50006724' 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)) | BDBM50006724
(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 |r,wU:58.61,4.3,73.77,38.41,121.129,48.51,13.13,107.116,wD:113.121,24.25,53.56,8.8,129.137,62.65,c:46,(67.85,-15.26,;66.52,-14.5,;66.52,-12.97,;65.19,-15.26,;65.19,-16.8,;63.86,-17.57,;62.53,-16.8,;62.53,-15.27,;61.21,-17.56,;61.21,-19.11,;59.87,-16.79,;58.55,-17.56,;58.55,-19.1,;57.21,-16.79,;57.21,-15.26,;58.55,-14.49,;59.88,-15.27,;61.21,-14.5,;61.21,-12.97,;59.88,-12.19,;58.55,-12.96,;55.89,-17.56,;54.55,-16.79,;54.55,-15.26,;53.22,-17.55,;53.22,-19.1,;54.55,-19.85,;55.95,-19.24,;56.98,-20.37,;56.21,-21.71,;56.69,-23.17,;55.65,-24.31,;54.15,-24,;53.68,-22.53,;54.7,-21.39,;51.89,-16.78,;50.57,-17.55,;50.57,-19.09,;49.23,-16.78,;50.32,-15.68,;48.46,-15.44,;49.23,-14.11,;48.46,-12.78,;49.22,-11.45,;48.46,-10.12,;35.53,-13.38,;35.15,-14.86,;33.66,-15.26,;33.28,-16.76,;32.5,-15.42,;31.96,-17.53,;30.62,-16.75,;30.62,-15.23,;29.29,-17.53,;29.29,-19.06,;27.96,-16.75,;26.63,-17.53,;26.63,-19.06,;25.3,-16.75,;23.97,-17.52,;22.64,-16.74,;22.64,-15.22,;21.32,-17.52,;21.32,-19.05,;22.64,-19.82,;22.64,-21.36,;23.96,-22.13,;25.29,-21.36,;25.3,-19.83,;23.97,-19.06,;19.99,-16.74,;18.66,-17.52,;18.66,-19.05,;17.32,-16.74,;17.32,-15.21,;18.66,-14.45,;19.99,-15.21,;18.66,-12.91,;15.99,-17.52,;14.6,-16.69,;14.62,-15.08,;13.2,-17.48,;11.81,-16.66,;10.42,-17.44,;9.03,-16.61,;9.05,-14.99,;10.46,-14.21,;11.85,-15.04,;10.89,-12.66,;12.45,-12.25,;9.75,-11.51,;7.65,-14.16,;6.25,-14.95,;6.23,-16.55,;4.81,-17.34,;3.43,-16.52,;2,-17.3,;3.46,-14.9,;4.87,-14.11,;4.88,-12.5,;6.31,-11.73,;6.32,-10.11,;7.74,-9.31,;7.75,-7.68,;9.12,-10.15,;9.09,-11.76,;7.68,-12.55,;25.3,-15.22,;23.97,-14.46,;26.63,-14.46,;34.61,-17.54,;34.61,-19.07,;35.94,-16.76,;37.27,-17.54,;37.27,-19.07,;38.6,-19.83,;39.92,-19.07,;38.6,-21.38,;38.6,-16.76,;38.6,-15.24,;39.93,-17.54,;41.26,-16.77,;41.26,-15.24,;42.59,-14.47,;43.92,-15.24,;42.59,-12.94,;42.59,-17.55,;42.59,-19.08,;43.92,-16.77,;45.25,-17.55,;45.25,-19.08,;46.58,-19.84,;46.58,-21.39,;45.24,-22.16,;47.9,-22.15,;46.58,-16.77,;46.58,-15.25,;47.91,-17.55,;66.52,-17.57,;67.85,-16.8,;66.52,-19.11,)| 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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.20E+4 | 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)) | BDBM50006724
(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 |r,wU:58.61,4.3,73.77,38.41,121.129,48.51,13.13,107.116,wD:113.121,24.25,53.56,8.8,129.137,62.65,c:46,(67.85,-15.26,;66.52,-14.5,;66.52,-12.97,;65.19,-15.26,;65.19,-16.8,;63.86,-17.57,;62.53,-16.8,;62.53,-15.27,;61.21,-17.56,;61.21,-19.11,;59.87,-16.79,;58.55,-17.56,;58.55,-19.1,;57.21,-16.79,;57.21,-15.26,;58.55,-14.49,;59.88,-15.27,;61.21,-14.5,;61.21,-12.97,;59.88,-12.19,;58.55,-12.96,;55.89,-17.56,;54.55,-16.79,;54.55,-15.26,;53.22,-17.55,;53.22,-19.1,;54.55,-19.85,;55.95,-19.24,;56.98,-20.37,;56.21,-21.71,;56.69,-23.17,;55.65,-24.31,;54.15,-24,;53.68,-22.53,;54.7,-21.39,;51.89,-16.78,;50.57,-17.55,;50.57,-19.09,;49.23,-16.78,;50.32,-15.68,;48.46,-15.44,;49.23,-14.11,;48.46,-12.78,;49.22,-11.45,;48.46,-10.12,;35.53,-13.38,;35.15,-14.86,;33.66,-15.26,;33.28,-16.76,;32.5,-15.42,;31.96,-17.53,;30.62,-16.75,;30.62,-15.23,;29.29,-17.53,;29.29,-19.06,;27.96,-16.75,;26.63,-17.53,;26.63,-19.06,;25.3,-16.75,;23.97,-17.52,;22.64,-16.74,;22.64,-15.22,;21.32,-17.52,;21.32,-19.05,;22.64,-19.82,;22.64,-21.36,;23.96,-22.13,;25.29,-21.36,;25.3,-19.83,;23.97,-19.06,;19.99,-16.74,;18.66,-17.52,;18.66,-19.05,;17.32,-16.74,;17.32,-15.21,;18.66,-14.45,;19.99,-15.21,;18.66,-12.91,;15.99,-17.52,;14.6,-16.69,;14.62,-15.08,;13.2,-17.48,;11.81,-16.66,;10.42,-17.44,;9.03,-16.61,;9.05,-14.99,;10.46,-14.21,;11.85,-15.04,;10.89,-12.66,;12.45,-12.25,;9.75,-11.51,;7.65,-14.16,;6.25,-14.95,;6.23,-16.55,;4.81,-17.34,;3.43,-16.52,;2,-17.3,;3.46,-14.9,;4.87,-14.11,;4.88,-12.5,;6.31,-11.73,;6.32,-10.11,;7.74,-9.31,;7.75,-7.68,;9.12,-10.15,;9.09,-11.76,;7.68,-12.55,;25.3,-15.22,;23.97,-14.46,;26.63,-14.46,;34.61,-17.54,;34.61,-19.07,;35.94,-16.76,;37.27,-17.54,;37.27,-19.07,;38.6,-19.83,;39.92,-19.07,;38.6,-21.38,;38.6,-16.76,;38.6,-15.24,;39.93,-17.54,;41.26,-16.77,;41.26,-15.24,;42.59,-14.47,;43.92,-15.24,;42.59,-12.94,;42.59,-17.55,;42.59,-19.08,;43.92,-16.77,;45.25,-17.55,;45.25,-19.08,;46.58,-19.84,;46.58,-21.39,;45.24,-22.16,;47.9,-22.15,;46.58,-16.77,;46.58,-15.25,;47.91,-17.55,;66.52,-17.57,;67.85,-16.8,;66.52,-19.11,)| 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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 7.40E+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 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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