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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 = 'BDBM50006732'   
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))		BDBM50006732
PNG
(CHEMBL3236285)
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](C)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](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(N)=O |r|
Show InChI InChI=1S/C66H106N16O31/c1-25(2)17-36(58(105)68-28(7)54(101)80-43(24-83)52(67)99)79-66(113)51(32(11)85)82-64(111)42(23-49(97)98)78-61(108)38(19-27(5)6)75-57(104)35(14-16-45(89)90)72-56(103)34(13-15-44(87)88)73-60(107)37(18-26(3)4)76-63(110)41(22-48(95)96)77-62(109)40(21-47(93)94)74-53(100)29(8)70-65(112)50(31(10)84)81-55(102)30(9)69-59(106)39(20-46(91)92)71-33(12)86/h25-32,34-43,50-51,83-85H,13-24H2,1-12H3,(H2,67,99)(H,68,105)(H,69,106)(H,70,112)(H,71,86)(H,72,103)(H,73,107)(H,74,100)(H,75,104)(H,76,110)(H,77,109)(H,78,108)(H,79,113)(H,80,101)(H,81,102)(H,82,111)(H,87,88)(H,89,90)(H,91,92)(H,93,94)(H,95,96)(H,97,98)/t28-,29-,30-,31+,32+,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,50-,51-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/a>1.00E+6n/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