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BDBM50006659 CHEMBL3235923

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

InChI Key: InChIKey=NWHUQVGFBHSVQI-QZOQGKDQSA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50006659   
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))		BDBM50006659
PNG
(CHEMBL3235923)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)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](C)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(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1S/C69H106N16O28/c1-29(2)20-40(61(105)72-34(9)59(103)84-48(28-86)55(70)99)77-57(101)33(8)73-63(107)45(25-51(93)94)82-64(108)42(22-31(5)6)79-60(104)39(18-19-49(89)90)76-56(100)32(7)71-62(106)41(21-30(3)4)80-67(111)47(27-53(97)98)83-66(110)46(26-52(95)96)78-58(102)35(10)74-69(113)54(36(11)87)85-68(112)43(23-38-16-14-13-15-17-38)81-65(109)44(24-50(91)92)75-37(12)88/h13-17,29-36,39-48,54,86-87H,18-28H2,1-12H3,(H2,70,99)(H,71,106)(H,72,105)(H,73,107)(H,74,113)(H,75,88)(H,76,100)(H,77,101)(H,78,102)(H,79,104)(H,80,111)(H,81,109)(H,82,108)(H,83,110)(H,84,103)(H,85,112)(H,89,90)(H,91,92)(H,93,94)(H,95,96)(H,97,98)/t32-,33-,34-,35-,36+,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,54-/m0/s1
PDB

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Article
PubMed
n/an/an/a 2.00E+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