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SMILES: CCOc1ccc2cc(C3CC(=NN3C(=O)CCC(O)=O)c3ccc(Br)cc3)c(Cl)nc2c1

InChI Key: InChIKey=PJILSERLBUJJJZ-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 260646   
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))
BDBM260646
PNG
(US9533969, TDRL-505)
Show SMILES CCOc1ccc2cc(C3CC(=NN3C(=O)CCC(O)=O)c3ccc(Br)cc3)c(Cl)nc2c1 |c:11|
Show InChI InChI=1S/C24H21BrClN3O4/c1-2-33-17-8-5-15-11-18(24(26)27-19(15)12-17)21-13-20(14-3-6-16(25)7-4-14)28-29(21)22(30)9-10-23(31)32/h3-8,11-12,21H,2,9-10,13H2,1H3,(H,31,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
US Patent
n/an/a 1.29E+4n/an/an/an/an/an/a



Indiana University Research and Technology Corporation

US Patent


Assay Description
Small molecule inhibitors were obtained from ChemDiv and resuspended in DMSO. Compound TDLR-505 was independently synthesized and structure confirmed...


US Patent US9533969 (2017)


BindingDB Entry DOI: 10.7270/Q2445KDJ
More data for this
Ligand-Target Pair