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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 = 'BDBM50006661'   
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))		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 |r|
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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Article
PubMed
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)


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