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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 = 'BDBM50006662'   
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))		BDBM50006662
PNG
(CHEMBL3235920)
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](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/C82H113N17O29/c1-38(2)28-52(73(119)85-40(5)70(116)97-60(37-100)68(83)114)96-82(128)67(43(8)102)99-80(126)54(30-45-18-12-10-13-19-45)92-75(121)56(32-47-36-84-49-23-17-16-22-48(47)49)94-72(118)51(25-27-62(106)107)88-71(117)50(24-26-61(104)105)89-74(120)53(29-39(3)4)91-78(124)59(35-65(112)113)95-77(123)58(34-64(110)111)90-69(115)41(6)86-81(127)66(42(7)101)98-79(125)55(31-46-20-14-11-15-21-46)93-76(122)57(33-63(108)109)87-44(9)103/h10-23,36,38-43,50-60,66-67,84,100-102H,24-35,37H2,1-9H3,(H2,83,114)(H,85,119)(H,86,127)(H,87,103)(H,88,117)(H,89,120)(H,90,115)(H,91,124)(H,92,121)(H,93,122)(H,94,118)(H,95,123)(H,96,128)(H,97,116)(H,98,125)(H,99,126)(H,104,105)(H,106,107)(H,108,109)(H,110,111)(H,112,113)/t40-,41-,42+,43+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,66-,67-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/a 2.70E+3n/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