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Patent code US10597399

Compile Data Set for Download or QSAR
Found 40 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
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM438016
PNG
(US10597399, Compound S7)
Show SMILES CC1CN(Cc2nnc(-c3cccs3)n12)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
PDB
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n/an/a<1n/an/an/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
The HTb-PARP-1 positive clones were obtained using the full-length PARP-1 plasmid, through PCR amplification, enzyme digestion, ligation, and transfo...


US Patent US10597399 (2020)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM438104
PNG
(US10597399, Compound S36)
Show SMILES COc1cccc(n1)-c1nnc2CN(CC(C)n12)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
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n/an/a<1n/an/an/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
The HTb-PARP-1 positive clones were obtained using the full-length PARP-1 plasmid, through PCR amplification, enzyme digestion, ligation, and transfo...


US Patent US10597399 (2020)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM438061
PNG
(US10597399, Compound S19)
Show SMILES CC1CN(Cc2nnc(I)n12)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
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n/an/a<5n/an/an/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
The HTb-PARP-1 positive clones were obtained using the full-length PARP-1 plasmid, through PCR amplification, enzyme digestion, ligation, and transfo...


US Patent US10597399 (2020)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM438019
PNG
(US10597399, Compound S9)
Show SMILES CC1CN(Cc2nnc(-c3ncc[nH]3)n12)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
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n/an/a<5n/an/an/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
The HTb-PARP-1 positive clones were obtained using the full-length PARP-1 plasmid, through PCR amplification, enzyme digestion, ligation, and transfo...


US Patent US10597399 (2020)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM438101
PNG
(US10597399, Compound S33)
Show SMILES CC1CN(Cc2nnc(-c3ncccc3F)n12)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
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n/an/a<5n/an/an/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
The HTb-PARP-1 positive clones were obtained using the full-length PARP-1 plasmid, through PCR amplification, enzyme digestion, ligation, and transfo...


US Patent US10597399 (2020)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM438102
PNG
(US10597399, Compound S34)
Show SMILES CC1CN(Cc2nnc(-c3cccc(Cl)n3)n12)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
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n/an/a<5n/an/an/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
The HTb-PARP-1 positive clones were obtained using the full-length PARP-1 plasmid, through PCR amplification, enzyme digestion, ligation, and transfo...


US Patent US10597399 (2020)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM438106
PNG
(US10597399, Compound S38)
Show SMILES CC1CN(Cc2nnc(-c3cccc(F)n3)n12)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
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n/an/a<5n/an/an/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
The HTb-PARP-1 positive clones were obtained using the full-length PARP-1 plasmid, through PCR amplification, enzyme digestion, ligation, and transfo...


US Patent US10597399 (2020)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM438051
PNG
(US10597399, Compound S16)
Show SMILES CC1CN(Cc2nnc(-c3ccco3)n12)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
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Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
The HTb-PARP-1 positive clones were obtained using the full-length PARP-1 plasmid, through PCR amplification, enzyme digestion, ligation, and transfo...


US Patent US10597399 (2020)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM438103
PNG
(US10597399, Compound S35)
Show SMILES CC1CN(Cc2nnc(-c3ccc(F)cn3)n12)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
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Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
The HTb-PARP-1 positive clones were obtained using the full-length PARP-1 plasmid, through PCR amplification, enzyme digestion, ligation, and transfo...


US Patent US10597399 (2020)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM438094
PNG
(US10597399, Compound S26)
Show SMILES CC1CN(Cc2nnc(C(O)=O)n12)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
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Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
The HTb-PARP-1 positive clones were obtained using the full-length PARP-1 plasmid, through PCR amplification, enzyme digestion, ligation, and transfo...


US Patent US10597399 (2020)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM438050
PNG
(US10597399, Compound S15)
Show SMILES CC1CN(Cc2nnc(-c3nccs3)n12)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
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Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
The HTb-PARP-1 positive clones were obtained using the full-length PARP-1 plasmid, through PCR amplification, enzyme digestion, ligation, and transfo...


US Patent US10597399 (2020)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM438049
PNG
(US10597399, Compound S14)
Show SMILES CC1CN(Cc2nnc(-c3cnn(C)c3)n12)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
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Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
The HTb-PARP-1 positive clones were obtained using the full-length PARP-1 plasmid, through PCR amplification, enzyme digestion, ligation, and transfo...


US Patent US10597399 (2020)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM438037
PNG
(US10597399, Compound S12)
Show SMILES CC1CN(Cc2nnc(-c3ccsc3)n12)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
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Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
The HTb-PARP-1 positive clones were obtained using the full-length PARP-1 plasmid, through PCR amplification, enzyme digestion, ligation, and transfo...


US Patent US10597399 (2020)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM438107
PNG
(US10597399, Compound S39)
Show SMILES CC1CN(Cc2nnc(-c3nc(cs3)C(F)(F)F)n12)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
PDB
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Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
The HTb-PARP-1 positive clones were obtained using the full-length PARP-1 plasmid, through PCR amplification, enzyme digestion, ligation, and transfo...


US Patent US10597399 (2020)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM438064
PNG
(US10597399, Compound S20)
Show SMILES CC1CN(Cc2nnc(-c3cnccn3)n12)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
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Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
The HTb-PARP-1 positive clones were obtained using the full-length PARP-1 plasmid, through PCR amplification, enzyme digestion, ligation, and transfo...


US Patent US10597399 (2020)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM438055
PNG
(US10597399, Compound S18)
Show SMILES CC1CN(Cc2nnc(-c3ccc(CO)o3)n12)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
PDB
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Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
The HTb-PARP-1 positive clones were obtained using the full-length PARP-1 plasmid, through PCR amplification, enzyme digestion, ligation, and transfo...


US Patent US10597399 (2020)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM438048
PNG
(US10597399, Compound S13)
Show SMILES CC1CN(Cc2nnc(-c3ccccn3)n12)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
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Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
The HTb-PARP-1 positive clones were obtained using the full-length PARP-1 plasmid, through PCR amplification, enzyme digestion, ligation, and transfo...


US Patent US10597399 (2020)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM438105
PNG
(US10597399, Compound S37)
Show SMILES CC1CN(Cc2nnc(-c3cccc(C)n3)n12)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
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Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
The HTb-PARP-1 positive clones were obtained using the full-length PARP-1 plasmid, through PCR amplification, enzyme digestion, ligation, and transfo...


US Patent US10597399 (2020)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM437979
PNG
(US10597399, Compound S1)
Show SMILES CC1CN(Cc2nnc(C3CCN(CC3)C(=O)OC(C)(C)C)n12)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
PDB
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Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
The HTb-PARP-1 positive clones were obtained using the full-length PARP-1 plasmid, through PCR amplification, enzyme digestion, ligation, and transfo...


US Patent US10597399 (2020)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM438093
PNG
(US10597399, Compound S25)
Show SMILES CCOC(=O)c1nnc2CN(CC(C)n12)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
PDB
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Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
The HTb-PARP-1 positive clones were obtained using the full-length PARP-1 plasmid, through PCR amplification, enzyme digestion, ligation, and transfo...


US Patent US10597399 (2020)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM438054
PNG
(US10597399, Compound S17)
Show SMILES CC1CN(Cc2nnc(C3COC(C)(C)O3)n12)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
PDB
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Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
The HTb-PARP-1 positive clones were obtained using the full-length PARP-1 plasmid, through PCR amplification, enzyme digestion, ligation, and transfo...


US Patent US10597399 (2020)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM437990
PNG
(US10597399, Compound S5 | US10597399, Compound S6)
Show SMILES CC1CN(Cc2nnc(C3CCCN3C(=O)OC(C)(C)C)n12)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
PDB
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Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
The HTb-PARP-1 positive clones were obtained using the full-length PARP-1 plasmid, through PCR amplification, enzyme digestion, ligation, and transfo...


US Patent US10597399 (2020)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM437985
PNG
(US10597399, Compound S4)
Show SMILES CC1CN(Cc2nnc(C3COC(C)(C)N3)n12)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
PDB
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Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
The HTb-PARP-1 positive clones were obtained using the full-length PARP-1 plasmid, through PCR amplification, enzyme digestion, ligation, and transfo...


US Patent US10597399 (2020)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM438034
PNG
(US10597399, Compound S11)
Show SMILES CC1CN(Cc2nnc(-c3cncs3)n12)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
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Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
The HTb-PARP-1 positive clones were obtained using the full-length PARP-1 plasmid, through PCR amplification, enzyme digestion, ligation, and transfo...


US Patent US10597399 (2020)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM438020
PNG
(US10597399, Compound S10)
Show SMILES CC1CN(Cc2nnc(-c3nccn3C)n12)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
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Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
The HTb-PARP-1 positive clones were obtained using the full-length PARP-1 plasmid, through PCR amplification, enzyme digestion, ligation, and transfo...


US Patent US10597399 (2020)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM437980
PNG
(US10597399, Compound S2)
Show SMILES CC1CN(Cc2nnc(C3COC(C)(C)N3C(=O)OC(C)(C)C)n12)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
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n/an/a<20n/an/an/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
The HTb-PARP-1 positive clones were obtained using the full-length PARP-1 plasmid, through PCR amplification, enzyme digestion, ligation, and transfo...


US Patent US10597399 (2020)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM437981
PNG
(US10597399, Compound S3)
Show SMILES CC1CN(Cc2nnc(C3CCNCC3)n12)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
PDB
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n/an/a<20n/an/an/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
The HTb-PARP-1 positive clones were obtained using the full-length PARP-1 plasmid, through PCR amplification, enzyme digestion, ligation, and transfo...


US Patent US10597399 (2020)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM438018
PNG
(US10597399, Compound S8)
Show SMILES CC1CN(Cc2nnc(-c3c[nH]cn3)n12)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
PDB
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n/an/a<20n/an/an/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
The HTb-PARP-1 positive clones were obtained using the full-length PARP-1 plasmid, through PCR amplification, enzyme digestion, ligation, and transfo...


US Patent US10597399 (2020)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM437990
PNG
(US10597399, Compound S5 | US10597399, Compound S6)
Show SMILES CC1CN(Cc2nnc(C3CCCN3C(=O)OC(C)(C)C)n12)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
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n/an/a<20n/an/an/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
The HTb-PARP-1 positive clones were obtained using the full-length PARP-1 plasmid, through PCR amplification, enzyme digestion, ligation, and transfo...


US Patent US10597399 (2020)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM438092
PNG
(US10597399, Compound S24)
Show SMILES CC1CN(Cc2nnc(-c3ncc(Cl)s3)n12)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
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n/an/a<20n/an/an/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
The HTb-PARP-1 positive clones were obtained using the full-length PARP-1 plasmid, through PCR amplification, enzyme digestion, ligation, and transfo...


US Patent US10597399 (2020)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM438070
PNG
(US10597399, Compound S21)
Show SMILES COc1cc(cc(OC)c1OC)-c1nnc2CN(CC(C)n12)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
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n/an/a<20n/an/an/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
The HTb-PARP-1 positive clones were obtained using the full-length PARP-1 plasmid, through PCR amplification, enzyme digestion, ligation, and transfo...


US Patent US10597399 (2020)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM27566
PNG
(4-({3-[(4-cyclopropanecarbonylpiperazin-1-yl)carbo...)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)C(=O)C1CC1
Show InChI InChI=1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30)
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US Patent
n/an/a<50n/an/an/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
The HTb-PARP-1 positive clones were obtained using the full-length PARP-1 plasmid, through PCR amplification, enzyme digestion, ligation, and transfo...


US Patent US10597399 (2020)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM438099
PNG
(US10597399, Compound S31)
Show SMILES CC1CN(Cc2nnc(-c3nccs3)n12)C(=O)c1cc(Cc2n[nH]c(=O)c(C)c2C)ccc1F
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n/an/a<100n/an/an/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
The HTb-PARP-1 positive clones were obtained using the full-length PARP-1 plasmid, through PCR amplification, enzyme digestion, ligation, and transfo...


US Patent US10597399 (2020)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM438096
PNG
(US10597399, Compound S28)
Show SMILES CC1CN(Cc2nnc(-c3ccccn3)n12)C(=O)c1cc(COc2ccccc2C(N)=O)ccc1F
Show InChI InChI=1S/C26H23FN6O3/c1-16-13-32(14-23-30-31-25(33(16)23)21-7-4-5-11-29-21)26(35)19-12-17(9-10-20(19)27)15-36-22-8-3-2-6-18(22)24(28)34/h2-12,16H,13-15H2,1H3,(H2,28,34)
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n/an/a<100n/an/an/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
The HTb-PARP-1 positive clones were obtained using the full-length PARP-1 plasmid, through PCR amplification, enzyme digestion, ligation, and transfo...


US Patent US10597399 (2020)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM438097
PNG
(US10597399, Compound S29)
Show SMILES CC1CN(Cc2nnc(-c3ccccn3)n12)C(=O)c1cc(Cc2cc(C)c(=O)[nH]n2)ccc1F
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n/an/a<100n/an/an/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
The HTb-PARP-1 positive clones were obtained using the full-length PARP-1 plasmid, through PCR amplification, enzyme digestion, ligation, and transfo...


US Patent US10597399 (2020)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM438088
PNG
(US10597399, Compound S23)
Show SMILES CC1CN(Cc2nnc(-c3ccccn3)n12)C(=O)c1cc(Cc2ccc(=O)[nH]n2)ccc1F
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n/an/a<100n/an/an/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
The HTb-PARP-1 positive clones were obtained using the full-length PARP-1 plasmid, through PCR amplification, enzyme digestion, ligation, and transfo...


US Patent US10597399 (2020)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM438098
PNG
(US10597399, Compound S30)
Show SMILES CC1CN(Cc2nnc(-c3nccs3)n12)C(=O)c1cc(Cc2cc(C)c(=O)[nH]n2)ccc1F
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n/an/a<100n/an/an/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
The HTb-PARP-1 positive clones were obtained using the full-length PARP-1 plasmid, through PCR amplification, enzyme digestion, ligation, and transfo...


US Patent US10597399 (2020)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM438095
PNG
(US10597399, Compound S27)
Show SMILES CC1CN(Cc2nnc(-c3nccs3)n12)C(=O)c1cc(COc2ccccc2C(N)=O)ccc1F
Show InChI InChI=1S/C24H21FN6O3S/c1-14-11-30(12-20-28-29-22(31(14)20)23-27-8-9-35-23)24(33)17-10-15(6-7-18(17)25)13-34-19-5-3-2-4-16(19)21(26)32/h2-10,14H,11-13H2,1H3,(H2,26,32)
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n/an/a<100n/an/an/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
The HTb-PARP-1 positive clones were obtained using the full-length PARP-1 plasmid, through PCR amplification, enzyme digestion, ligation, and transfo...


US Patent US10597399 (2020)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM438087
PNG
(US10597399, Compound S22)
Show SMILES CC1CN(Cc2nnc(-c3nccs3)n12)C(=O)c1cc(Cc2ccc(=O)[nH]n2)ccc1F
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n/an/a<100n/an/an/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
The HTb-PARP-1 positive clones were obtained using the full-length PARP-1 plasmid, through PCR amplification, enzyme digestion, ligation, and transfo...


US Patent US10597399 (2020)

More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM438100
PNG
(US10597399, Compound S32)
Show SMILES CC1CN(Cc2nnc(-c3ccccn3)n12)C(=O)c1cc(Cc2n[nH]c(=O)c(C)c2C)ccc1F
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n/an/a<100n/an/an/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
The HTb-PARP-1 positive clones were obtained using the full-length PARP-1 plasmid, through PCR amplification, enzyme digestion, ligation, and transfo...


US Patent US10597399 (2020)

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