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Compile Data Set for Download or QSAR

Found 147 hits Enz. Inhib. hit(s) with all data for entry = 11439   
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) glycohydrolase


(Homo sapiens (Human))
BDBM616687
PNG
(US20230278998, Compound 5)
Show SMILES CC(C)C(=O)N1CCN(CC1)c1cc(cc2c(nn(C)c12)-c1nnc(s1)C(F)F)S(=O)(=O)NC1(C)CC1
PDB

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n/an/a 0.5n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70KZ8
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM616699
PNG
(US20230278998, Compound 17)
Show SMILES CC(C)C(=O)N1CCN(CC1)c1cc(cc2c(nn(C)c12)-c1nnc(s1)C(F)F)S(=O)(=O)NC1(CC1)C#N
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70KZ8
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM616700
PNG
(US20230278998, Compound 18)
Show SMILES CC(C)C(=O)N1CCN(CC1)c1cc(cc2c(nn(C3CCCCO3)c12)-c1nnc(s1)C(F)F)S(=O)(=O)NC1(CC1)C#N
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70KZ8
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM616727
PNG
(US20230278998, Compound 46)
Show SMILES Cn1nc(-c2nnc(s2)C(F)F)c2cc(cc(N3CCC4(COC4)CC3)c12)S(=O)(=O)NC1(CC1)C#N
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70KZ8
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM616685
PNG
(US20230278998, Compound 3)
Show SMILES CC(C)C(=O)N1CCN(CC1)c1cc(cc2c(n[nH]c12)-c1nnc(s1)C(F)F)S(=O)(=O)NC1(C)CC1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70KZ8
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM616694
PNG
(US20230278998, Comparative Compound 1' | US2023030...)
Show SMILES CC(C)C(=O)N1CCN(CC1)c1cc(cc2n(ncc12)-c1nnc(s1)C(F)F)S(=O)(=O)NC1(CC1)C#N
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70KZ8
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM616747
PNG
(US20230278998, Comparative Compound 2')
Show SMILES FC(F)c1nnc(s1)-n1ncc2c(cc(cc12)S(=O)(=O)NC1(CC1)C#N)N1CCC2(COC2)CC1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70KZ8
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM616683
PNG
(US20230278998, Compound 1)
Show SMILES Cc1nc(C)c(Cn2nc(-c3nnc(s3)C(F)F)c3cc(ccc23)S(=O)(=O)NC2(C)CC2)s1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70KZ8
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM616684
PNG
(US20230278998, Compound 2)
Show SMILES Cc1nnc(s1)-c1nn(Cc2sc(C)nc2C)c2ccc(cc12)S(=O)(=O)NC1(C)CC1
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70KZ8
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM616686
PNG
(US20230278998, Compound 4)
Show SMILES Cc1nc(C)c(Cn2nc(-c3nnc(s3)C(F)F)c3cc(ccc23)S(=O)(=O)NC2(CF)CC2)s1
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70KZ8
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM616688
PNG
(US20230278998, Compound 7)
Show SMILES Cc1nc(C)c(Cn2c(Cl)c(-c3nnc(s3)C(F)F)c3cc(ccc23)S(=O)(=O)NC2(C)CC2)s1
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70KZ8
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM616689
PNG
(US20230278998, Compound 8)
Show SMILES Cc1nc(C)c(Cn2cc(-c3nnc(s3)C(F)F)c3cc(ccc23)S(=O)(=O)NC2(C)CC2)s1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70KZ8
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM616690
PNG
(US20230278998, Compound 9)
Show SMILES Cc1nc(C)c(Cn2nc(-c3nnc(s3)C(F)F)c3cc(cnc23)S(=O)(=O)NC2(C)CC2)s1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70KZ8
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM616693
PNG
(US20230278998, Compound 12)
Show SMILES FCC1(CC1)NS(=O)(=O)c1ccc2n(CC3CC3)nc(-c3nnc(s3)C(F)F)c2c1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70KZ8
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM616695
PNG
(US20230278998, Compound 13)
Show SMILES Cc1nc(C)c(Cn2nc(-c3nnc(s3)C(F)F)c3cc(c(F)cc23)S(=O)(=O)NC2(C)CC2)s1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70KZ8
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM616696
PNG
(US20230278998, Compound 14)
Show SMILES Cc1nc(C)c(Cn2nc(-c3nnc(s3)C(F)F)c3cc(cc(F)c23)S(=O)(=O)NC2(C)CC2)s1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70KZ8
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM616697
PNG
(US20230278998, Compound 15)
Show SMILES CC(C)C(=O)N1CCN(CC1)c1cc(cc2c(nn(CC3CC3)c12)-c1nnc(s1)C(F)F)S(=O)(=O)NC1(C)CC1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70KZ8
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM616698
PNG
(US20230278998, Compound 16)
Show SMILES CC(C)C(=O)N1CCN(CC1)c1cc(cc2c(nn(C(C)C)c12)-c1nnc(s1)C(F)F)S(=O)(=O)NC1(C)CC1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70KZ8
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM616701
PNG
(US20230278998, Compound 19)
Show SMILES CC(C)C(=O)N1CCN(CC1)c1cc(cc2c(nn(Cc3sc(C)nc3C)c12)-c1nnc(s1)C(F)F)S(=O)(=O)NC1(C)CC1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70KZ8
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM616702
PNG
(US20230278998, Compound 20)
Show SMILES Cn1nc(-c2nnc(s2)C(F)F)c2cc(cc(N3CCn4cncc4C3)c12)S(=O)(=O)NC1(C)CC1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70KZ8
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM616703
PNG
(US20230278998, Compound 21)
Show SMILES CC(C)C(=O)N1CCN(CC1)c1cc(cc2c(nn(C3CC3)c12)-c1nnc(s1)C(F)F)S(=O)(=O)NC1(C)CC1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70KZ8
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM616704
PNG
(US20230278998, Compound 22 | US20230278998, Compou...)
Show SMILES CCn1nc(-c2nnc(s2)C(F)F)c2cc(cc(N3CCN(CC3)C(=O)C(C)C)c12)S(=O)(=O)NC1(C)CC1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70KZ8
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM616705
PNG
(US20230278998, Compound 23)
Show SMILES CC(C)C(=O)N1CCN(CC1)c1cc(cc2c(nn(CC(F)(F)F)c12)-c1nnc(s1)C(F)F)S(=O)(=O)NC1(C)CC1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70KZ8
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM616706
PNG
(US20230278998, Compound 24)
Show SMILES Cn1nc(-c2nnc(s2)C(F)F)c2cc(cc(N3CCN(CC3)C(=O)C3CC3)c12)S(=O)(=O)NC1(CC1)C#N
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70KZ8
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM616707
PNG
(US20230278998, Compound 25)
Show SMILES Cn1nc(-c2nnc(s2)C(F)F)c2cc(cc(N3CCOCC3)c12)S(=O)(=O)NC1(C)CC1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70KZ8
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM616708
PNG
(US20230278998, Compound 26)
Show SMILES CCn1nc(-c2nnc(s2)C(F)F)c2cc(cc(N3CCN(CC3)C(=O)C(C)C)c12)S(=O)(=O)NC1(CC1)C#N
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70KZ8
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM616709
PNG
(US20230278998, Compound 27)
Show SMILES Cn1nc(-c2nnc(s2)C(F)F)c2cc(cc(N3CCN(CC3)C(=O)C3CC3)c12)S(=O)(=O)NC1(C)CC1
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70KZ8
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM616710
PNG
(US20230278998, Compound 28)
Show SMILES Cn1nc(-c2nnc(s2)C(F)F)c2cc(cc(-c3ccccc3)c12)S(=O)(=O)NC1(CC1)C#N
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70KZ8
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM616711
PNG
(US20230278998, Compound 29)
Show SMILES Cn1nc(-c2nnc(s2)C(F)F)c2cc(cc(N3CCOCC3)c12)S(=O)(=O)NC1(CC1)C#N
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70KZ8
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM616712
PNG
(US20230278998, Compound 30)
Show SMILES CC(C)C(=O)N1CCN(CC1)c1cc(cc2c(nn(CC(F)(F)F)c12)-c1nnc(s1)C(F)F)S(=O)(=O)NC1(CC1)C#N
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70KZ8
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM616713
PNG
(US20230278998, Compound 31)
Show SMILES Cn1nc(-c2nnc(s2)C(F)F)c2cc(cc(-c3ccncn3)c12)S(=O)(=O)NC1(CC1)C#N
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70KZ8
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM616714
PNG
(US20230278998, Compound 32)
Show SMILES CC(=O)N1CCN(CC1)c1cc(cc2c(nn(C)c12)-c1nnc(s1)C(F)F)S(=O)(=O)NC1(CC1)C#N
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70KZ8
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM616715
PNG
(US20230278998, Compound 33)
Show SMILES CN(C)C(=O)N1CCN(CC1)c1cc(cc2c(nn(C)c12)-c1nnc(s1)C(F)F)S(=O)(=O)NC1(CC1)C#N
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70KZ8
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM616716
PNG
(US20230278998, Compound 34)
Show SMILES Cn1nc(-c2nnc(s2)C(F)F)c2cc(cc(N3CCN(CC3)S(C)(=O)=O)c12)S(=O)(=O)NC1(CC1)C#N
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70KZ8
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM616717
PNG
(US20230278998, Compound 35)
Show SMILES C[C@H]1CN(CCO1)c1cc(cc2c(nn(C)c12)-c1nnc(s1)C(F)F)S(=O)(=O)NC1(CC1)C#N |r|
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70KZ8
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM616718
PNG
(US20230278998, Compound 36)
Show SMILES Cn1nc(-c2nnc(s2)C(F)F)c2cc(cc(N3CCN(CC3)C(=O)c3ccccc3)c12)S(=O)(=O)NC1(CC1)C#N
PDB

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Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70KZ8
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM616719
PNG
(US20230278998, Compound 37)
Show SMILES C[C@@H]1CN(CCO1)c1cc(cc2c(nn(C)c12)-c1nnc(s1)C(F)F)S(=O)(=O)NC1(CC1)C#N |r|
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BindingDB Entry DOI: 10.7270/Q2H70KZ8
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM616720
PNG
(US20230278998, Compound 38)
Show SMILES Cn1nc(-c2nnc(s2)C(F)F)c2cc(cc(N3CCN(CC3)C(=O)C3(C)CC3)c12)S(=O)(=O)NC1(CC1)C#N
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70KZ8
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM616721
PNG
(US20230278998, Compound 40)
Show SMILES CC(C)C(=O)N1CCC(=CC1)c1cc(cc2c(nn(C)c12)-c1nnc(s1)C(F)F)S(=O)(=O)NC1(CC1)C#N |c:8|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70KZ8
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM616722
PNG
(US20230278998, Compound 41)
Show SMILES Cn1nc(-c2nnc(s2)C(F)F)c2cc(cc(N3CCN(CC3)c3cccnn3)c12)S(=O)(=O)NC1(CC1)C#N
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70KZ8
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM616723
PNG
(US20230278998, Compound 42)
Show SMILES Cn1nc(-c2nnc(s2)C(F)F)c2cc(cc(N3CCC(O)CC3)c12)S(=O)(=O)NC1(CC1)C#N
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70KZ8
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM616724
PNG
(US20230278998, Compound 43)
Show SMILES Cn1nc(-c2nnc(s2)C(F)F)c2cc(cc(N3CCN(CC3)C(=O)c3ccccn3)c12)S(=O)(=O)NC1(CC1)C#N
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70KZ8
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM616725
PNG
(US20230278998, Compound 44)
Show SMILES Cn1nc(-c2nnc(s2)C(F)F)c2cc(cc(N3CCC(CO)CC3)c12)S(=O)(=O)NC1(CC1)C#N
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70KZ8
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM616726
PNG
(US20230278998, Compound 45)
Show SMILES CCC(=O)N1CCN(CC1)c1cc(cc2c(nn(C)c12)-c1nnc(s1)C(F)F)S(=O)(=O)NC1(CC1)C#N
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70KZ8
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM616728
PNG
(US20230278998, Compound 47)
Show SMILES Cn1nc(-c2nnc(s2)C(F)F)c2cc(cc(N3CCN(CC3)C(=O)C(F)(F)F)c12)S(=O)(=O)NC1(CC1)C#N
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70KZ8
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM616729
PNG
(US20230278998, Compound 48)
Show SMILES CC(C)S(=O)(=O)N1CCN(CC1)c1cc(cc2c(nn(C)c12)-c1nnc(s1)C(F)F)S(=O)(=O)NC1(CC1)C#N
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70KZ8
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM616730
PNG
(US20230278998, Compound 49)
Show SMILES CC(C)CN1CCN(CC1)c1cc(cc2c(nn(C)c12)-c1nnc(s1)C(F)F)S(=O)(=O)NC1(CC1)C#N
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70KZ8
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM616731
PNG
(US20230278998, Compound 50)
Show SMILES CCC(C)C(=O)N1CCN(CC1)c1cc(cc2c(nn(C)c12)-c1nnc(s1)C(F)F)S(=O)(=O)NC1(CC1)C#N
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70KZ8
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM616732
PNG
(US20230278998, Compound 51)
Show SMILES Cn1nc(-c2nnc(s2)C(F)F)c2cc(cc(N3CCN(CC3)C(=O)N3CCCC3)c12)S(=O)(=O)NC1(CC1)C#N
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70KZ8
More data for this
Ligand-Target Pair
Poly(ADP-ribose) glycohydrolase


(Homo sapiens (Human))
BDBM616733
PNG
(US20230278998, Compound 52)
Show SMILES Cn1nc(-c2nnc(s2)C(F)F)c2cc(cc(N3CCN(CC3)C(=O)CC(F)(F)F)c12)S(=O)(=O)NC1(CC1)C#N
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Citation and Details

BindingDB Entry DOI: 10.7270/Q2H70KZ8
More data for this
Ligand-Target Pair
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