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Patent code US9533969

Compile Data Set for Download or QSAR
Found 6 hits of Enzyme Inhibition Constant Data   
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))
BDBM260646
PNG
(US9533969, TDRL-505)
Show SMILES CCOc1ccc2cc(C3CC(=NN3C(=O)CCC(O)=O)c3ccc(Br)cc3)c(Cl)nc2c1
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)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM61188
PNG
(4-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phen...)
Show SMILES Cc1ccc(cc1)C1=NN(C(C1)c1cn(nc1-c1ccc(C)cc1)-c1ccccc1)C(=O)CCC(O)=O
Show InChI InChI=1S/C30H28N4O3/c1-20-8-12-22(13-9-20)26-18-27(34(31-26)28(35)16-17-29(36)37)25-19-33(24-6-4-3-5-7-24)32-30(25)23-14-10-21(2)11-15-23/h3-15,19,27H,16-18H2,1-2H3,(H,36,37)
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Similars

US Patent
n/an/a 2.03E+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...


Citation and Details
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM260649
PNG
(US9533969, TDRL-522)
Show SMILES Cc1ccc(cc1)-c1nn(cc1C1CC(=NN1C(=O)CCC(O)=O)c1ccc(Br)cc1)-c1ccccc1
Show InChI InChI=1S/C29H25BrN4O3/c1-19-7-9-21(10-8-19)29-24(18-33(32-29)23-5-3-2-4-6-23)26-17-25(20-11-13-22(30)14-12-20)31-34(26)27(35)15-16-28(36)37/h2-14,18,26H,15-17H2,1H3,(H,36,37)
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UniChem
US Patent
n/an/a 5.61E+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...


Citation and Details
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM260648
PNG
(US9533969, TDRL-521)
Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1cn(nc1-c1ccc(C)cc1)-c1ccccc1)C(=O)CCC(O)=O
Show InChI InChI=1S/C30H28N4O4/c1-20-8-10-22(11-9-20)30-25(19-33(32-30)23-6-4-3-5-7-23)27-18-26(21-12-14-24(38-2)15-13-21)31-34(27)28(35)16-17-29(36)37/h3-15,19,27H,16-18H2,1-2H3,(H,36,37)
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UniChem
US Patent
n/an/a 7.17E+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...


Citation and Details
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM260647
PNG
(US9533969, TDRL-518)
Show SMILES CCN(CC)c1ccc(cc1)C1CC(=NN1C(=O)CCC(O)=O)c1ccc(Br)cc1
Show InChI InChI=1S/C23H26BrN3O3/c1-3-26(4-2)19-11-7-17(8-12-19)21-15-20(16-5-9-18(24)10-6-16)25-27(21)22(28)13-14-23(29)30/h5-12,21H,3-4,13-15H2,1-2H3,(H,29,30)
UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+5n/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...


Citation and Details
More data for this
Ligand-Target Pair
Replication protein A 70 kDa DNA-binding subunit


(Homo sapiens (Human))
BDBM260650
PNG
(US9533969, TDRL-523)
Show SMILES COc1ccc(cc1)-c1nn(cc1C1CC(=NN1C(=O)CCC(O)=O)c1ccc(Br)cc1)-c1ccccc1
Show InChI InChI=1S/C29H25BrN4O4/c1-38-23-13-9-20(10-14-23)29-24(18-33(32-29)22-5-3-2-4-6-22)26-17-25(19-7-11-21(30)12-8-19)31-34(26)27(35)15-16-28(36)37/h2-14,18,26H,15-17H2,1H3,(H,36,37)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+5n/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...


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%