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BDBM50006729 CHEMBL3236287

SMILES: CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)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@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O

InChI Key: InChIKey=AOAZZDAFZGEURX-MYEXJLNDSA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50006729   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/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))		BDBM50006729
PNG
(CHEMBL3236287)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)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@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1S/C72H110N16O31/c1-30(2)21-41(63(110)74-33(7)60(107)86-49(29-89)58(73)105)85-72(119)57(36(10)91)88-70(117)48(28-55(103)104)84-65(112)43(23-32(5)6)80-62(109)40(18-20-51(95)96)77-61(108)39(17-19-50(93)94)78-64(111)42(22-31(3)4)81-68(115)47(27-54(101)102)83-67(114)46(26-53(99)100)79-59(106)34(8)75-71(118)56(35(9)90)87-69(116)44(24-38-15-13-12-14-16-38)82-66(113)45(25-52(97)98)76-37(11)92/h12-16,30-36,39-49,56-57,89-91H,17-29H2,1-11H3,(H2,73,105)(H,74,110)(H,75,118)(H,76,92)(H,77,108)(H,78,111)(H,79,106)(H,80,109)(H,81,115)(H,82,113)(H,83,114)(H,84,112)(H,85,119)(H,86,107)(H,87,116)(H,88,117)(H,93,94)(H,95,96)(H,97,98)(H,99,100)(H,101,102)(H,103,104)/t33-,34-,35+,36+,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,56-,57-/m0/s1
PDB

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Similars
Article
PubMed
n/an/an/a 2.90E+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