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PubMed code 25899312

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
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50082299
PNG
(CHEMBL3422683)
Show SMILES O=c1[nH]nc2[nH]c(nc3cccc1c23)-c1ccc2OCOc2c1
Show InChI InChI=1S/C16H10N4O3/c21-16-9-2-1-3-10-13(9)15(19-20-16)18-14(17-10)8-4-5-11-12(6-8)23-7-22-11/h1-6H,7H2,(H,20,21)(H,17,18,19)
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Article
PubMed
n/an/a 91n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 25: 2340-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.013
BindingDB Entry DOI: 10.7270/Q2N58P2F
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50082301
PNG
(CHEMBL3421820)
Show SMILES O=c1[nH]nc2[nH]c(nc3cccc1c23)-c1ccccc1
Show InChI InChI=1S/C15H10N4O/c20-15-10-7-4-8-11-12(10)14(18-19-15)17-13(16-11)9-5-2-1-3-6-9/h1-8H,(H,19,20)(H,16,17,18)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 148n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 25: 2340-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.013
BindingDB Entry DOI: 10.7270/Q2N58P2F
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50082300
PNG
(CHEMBL3421821)
Show SMILES Cc1ccc(cc1)-c1nc2cccc3c2c(n[nH]c3=O)[nH]1
Show InChI InChI=1S/C16H12N4O/c1-9-5-7-10(8-6-9)14-17-12-4-2-3-11-13(12)15(18-14)19-20-16(11)21/h2-8H,1H3,(H,20,21)(H,17,18,19)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 152n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 25: 2340-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.013
BindingDB Entry DOI: 10.7270/Q2N58P2F
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50082298
PNG
(CHEMBL3422684)
Show SMILES Nc1ccc(cc1)-c1nc2cccc3c2c(n[nH]c3=O)[nH]1
Show InChI InChI=1S/C15H11N5O/c16-9-6-4-8(5-7-9)13-17-11-3-1-2-10-12(11)14(18-13)19-20-15(10)21/h1-7H,16H2,(H,20,21)(H,17,18,19)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 244n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 25: 2340-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.013
BindingDB Entry DOI: 10.7270/Q2N58P2F
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM27506
PNG
(3-AB | 3-aminobenzamide | CHEMBL81977)
Show SMILES NC(=O)c1cccc(N)c1
Show InChI InChI=1S/C7H8N2O/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H2,9,10)
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CHEMBL
MCE
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PC cid
PC sid
PDB
UniChem

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Article
PubMed
n/an/a 3.00E+4n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 25: 2340-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.013
BindingDB Entry DOI: 10.7270/Q2N58P2F
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM27507
PNG
(3-Pyridinecarboxamide | CHEMBL1140 | NAM | niacina...)
Show SMILES NC(=O)c1cccnc1
Show InChI InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
PDB
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UniProtKB/SwissProt

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antibodypedia
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CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


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Article
PubMed
n/an/a 2.10E+5n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin)


Bioorg Med Chem Lett 25: 2340-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.013
BindingDB Entry DOI: 10.7270/Q2N58P2F
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%