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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 = 'BDBM50006663'   
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))		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 |r|
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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Article
PubMed
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)


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