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BDBM50006657 CHEMBL3236275

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

InChI Key: InChIKey=YIMPSABTMZXATB-JUOPIZHJSA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50006657   
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))
BDBM50006657
PNG
(CHEMBL3236275)
Show SMILES CC(C)C[C@H](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(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C69H104N16O31/c1-28(2)20-39(79-65(112)44(25-51(98)99)81-64(111)43(24-50(96)97)77-57(104)32(7)73-69(116)53(33(8)87)84-66(113)41(22-36-14-12-11-13-15-36)80-63(110)42(23-49(94)95)74-35(10)89)61(108)76-37(16-18-47(90)91)59(106)75-38(17-19-48(92)93)60(107)78-40(21-29(3)4)62(109)82-45(26-52(100)101)67(114)85-54(34(9)88)68(115)72-30(5)56(103)71-31(6)58(105)83-46(27-86)55(70)102/h11-15,28-34,37-46,53-54,86-88H,16-27H2,1-10H3,(H2,70,102)(H,71,103)(H,72,115)(H,73,116)(H,74,89)(H,75,106)(H,76,108)(H,77,104)(H,78,107)(H,79,112)(H,80,110)(H,81,111)(H,82,109)(H,83,105)(H,84,113)(H,85,114)(H,90,91)(H,92,93)(H,94,95)(H,96,97)(H,98,99)(H,100,101)/t30-,31-,32-,33+,34+,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,53-,54-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 6.30E+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