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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Replication protein A 70 kDa DNA-binding subunit' and Ligand = 'BDBM50006737'   
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))		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 |r|
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
PDB

UniProtKB/SwissProt

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PC cid
PC sid
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Similars
Article
PubMed
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)


Article DOI: 10.1021/jm401730y
BindingDB Entry DOI: 10.7270/Q29888H7
More data for this
Ligand-Target Pair