BindingDB logo
myBDB logout

PubMed code 16359865

Compile data set for download or QSAR
Found 22 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))
BDBM50179064
PNG
(4-oxo-2,3,4,5,6,11-hexahydro-1H-5,11-diaza-benzo[a...)
Show SMILES O=C1NCc2c1c1CCCc1c1[nH]c3ccc(cc3c21)C#N
Show InChI InChI=1S/C18H13N3O/c19-7-9-4-5-14-12(6-9)15-13-8-20-18(22)16(13)10-2-1-3-11(10)17(15)21-14/h4-6,21H,1-3,8H2,(H,20,22)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PARP1


Bioorg Med Chem Lett 16: 1151-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.086
BindingDB Entry DOI: 10.7270/Q25H7FT4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50179070
PNG
(8-aminomethyl-1,2,3,5,6,11-hexahydro-5,11-diaza-be...)
Show SMILES NCc1ccc2[nH]c3c4CCCc4c4C(=O)NCc4c3c2c1
Show InChI InChI=1S/C18H17N3O/c19-7-9-4-5-14-12(6-9)15-13-8-20-18(22)16(13)10-2-1-3-11(10)17(15)21-14/h4-6,21H,1-3,7-8,19H2,(H,20,22)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 27n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PARP1


Bioorg Med Chem Lett 16: 1151-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.086
BindingDB Entry DOI: 10.7270/Q25H7FT4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50179068
PNG
(8-bromo-1,2,3,5,6,11-hexahydro-5,11-diaza-benzo[a]...)
Show SMILES Brc1ccc2[nH]c3c4CCCc4c4C(=O)NCc4c3c2c1
Show InChI InChI=1S/C17H13BrN2O/c18-8-4-5-13-11(6-8)14-12-7-19-17(21)15(12)9-2-1-3-10(9)16(14)20-13/h4-6,20H,1-3,7H2,(H,19,21)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PARP1


Bioorg Med Chem Lett 16: 1151-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.086
BindingDB Entry DOI: 10.7270/Q25H7FT4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50177482
PNG
(1,2,3,11-Tetrahydro-5,11-diaza-benzo[a]trindene-4,...)
Show SMILES O=C1NC(=O)c2c1c1CCCc1c1[nH]c3ccccc3c21
Show InChI InChI=1S/C17H12N2O2/c20-16-13-8-5-3-6-9(8)15-12(14(13)17(21)19-16)10-4-1-2-7-11(10)18-15/h1-2,4,7,18H,3,5-6H2,(H,19,20,21)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 36n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PARP1


Bioorg Med Chem Lett 16: 1151-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.086
BindingDB Entry DOI: 10.7270/Q25H7FT4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50177476
PNG
(1,2,3,5,6,11-hexahydro-5,11-diaza-benzo[a]trinden-...)
Show SMILES O=C1NCc2c1c1CCCc1c1[nH]c3ccccc3c21
Show InChI InChI=1S/C17H14N2O/c20-17-15-9-5-3-6-10(9)16-14(12(15)8-18-17)11-4-1-2-7-13(11)19-16/h1-2,4,7,19H,3,5-6,8H2,(H,18,20)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 56n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PARP1


Bioorg Med Chem Lett 16: 1151-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.086
BindingDB Entry DOI: 10.7270/Q25H7FT4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50179057
PNG
(4-oxo-2,3,4,5,6,11-hexahydro-1H-5,11-diaza-benzo[a...)
Show SMILES COC(=O)c1ccc2[nH]c3c4CCCc4c4C(=O)NCc4c3c2c1
Show InChI InChI=1S/C19H16N2O3/c1-24-19(23)9-5-6-14-12(7-9)15-13-8-20-18(22)16(13)10-3-2-4-11(10)17(15)21-14/h5-7,21H,2-4,8H2,1H3,(H,20,22)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 59n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PARP1


Bioorg Med Chem Lett 16: 1151-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.086
BindingDB Entry DOI: 10.7270/Q25H7FT4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50179056
PNG
(4-oxo-2,3,4,5,6,11-hexahydro-1H-5,11-diaza-benzo[a...)
Show SMILES CN(Cc1ccncc1)C(=O)c1ccc2[nH]c3c4CCCc4c4C(=O)NCc4c3c2c1
Show InChI InChI=1S/C25H22N4O2/c1-29(13-14-7-9-26-10-8-14)25(31)15-5-6-20-18(11-15)21-19-12-27-24(30)22(19)16-3-2-4-17(16)23(21)28-20/h5-11,28H,2-4,12-13H2,1H3,(H,27,30)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 65n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PARP1


Bioorg Med Chem Lett 16: 1151-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.086
BindingDB Entry DOI: 10.7270/Q25H7FT4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50179061
PNG
(2,6-diamino-hexanoic acid (4-oxo-2,3,4,5,6,11-hexa...)
Show SMILES NCCCCC(N)C(=O)NCc1ccc2[nH]c3c4CCCc4c4C(=O)NCc4c3c2c1
Show InChI InChI=1S/C24H29N5O2/c25-9-2-1-6-18(26)23(30)27-11-13-7-8-19-16(10-13)20-17-12-28-24(31)21(17)14-4-3-5-15(14)22(20)29-19/h7-8,10,18,29H,1-6,9,11-12,25-26H2,(H,27,30)(H,28,31)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 80n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PARP1


Bioorg Med Chem Lett 16: 1151-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.086
BindingDB Entry DOI: 10.7270/Q25H7FT4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50179062
PNG
(4-oxo-2,3,4,5,6,11-hexahydro-1H-5,11-diaza-benzo[a...)
Show SMILES OC(=O)c1ccc2[nH]c3c4CCCc4c4C(=O)NCc4c3c2c1
Show InChI InChI=1S/C18H14N2O3/c21-17-15-9-2-1-3-10(9)16-14(12(15)7-19-17)11-6-8(18(22)23)4-5-13(11)20-16/h4-6,20H,1-3,7H2,(H,19,21)(H,22,23)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 80n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PARP1


Bioorg Med Chem Lett 16: 1151-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.086
BindingDB Entry DOI: 10.7270/Q25H7FT4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50179069
PNG
(8-(morpholine-4-carbonyl)-1,2,3,5,6,11-hexahydro-5...)
Show SMILES O=C(N1CCOCC1)c1ccc2[nH]c3c4CCCc4c4C(=O)NCc4c3c2c1
Show InChI InChI=1S/C22H21N3O3/c26-21-19-13-2-1-3-14(13)20-18(16(19)11-23-21)15-10-12(4-5-17(15)24-20)22(27)25-6-8-28-9-7-25/h4-5,10,24H,1-3,6-9,11H2,(H,23,26)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 83n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PARP1


Bioorg Med Chem Lett 16: 1151-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.086
BindingDB Entry DOI: 10.7270/Q25H7FT4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50179060
PNG
(4-oxo-2,3,4,5,6,11-hexahydro-1H-5,11-diaza-benzo[a...)
Show SMILES O=C(NCCn1ccnn1)c1ccc2[nH]c3c4CCCc4c4C(=O)NCc4c3c2c1
Show InChI InChI=1S/C22H20N6O2/c29-21(23-6-8-28-9-7-25-27-28)12-4-5-17-15(10-12)18-16-11-24-22(30)19(16)13-2-1-3-14(13)20(18)26-17/h4-5,7,9-10,26H,1-3,6,8,11H2,(H,23,29)(H,24,30)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 105n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PARP1


Bioorg Med Chem Lett 16: 1151-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.086
BindingDB Entry DOI: 10.7270/Q25H7FT4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50179059
PNG
(8-chloro-1,2,3,5,6,11-hexahydro-5,11-diaza-benzo[a...)
Show SMILES Clc1ccc2[nH]c3c4CCCc4c4C(=O)NCc4c3c2c1
Show InChI InChI=1S/C17H13ClN2O/c18-8-4-5-13-11(6-8)14-12-7-19-17(21)15(12)9-2-1-3-10(9)16(14)20-13/h4-6,20H,1-3,7H2,(H,19,21)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PARP1


Bioorg Med Chem Lett 16: 1151-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.086
BindingDB Entry DOI: 10.7270/Q25H7FT4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50179063
PNG
(4-oxo-2,3,4,5,6,11-hexahydro-1H-5,11-diaza-benzo[a...)
Show SMILES CN(CCc1cnc[nH]1)C(=O)c1ccc2[nH]c3c4CCCc4c4C(=O)NCc4c3c2c1
Show InChI InChI=1S/C24H23N5O2/c1-29(8-7-14-10-25-12-27-14)24(31)13-5-6-19-17(9-13)20-18-11-26-23(30)21(18)15-3-2-4-16(15)22(20)28-19/h5-6,9-10,12,28H,2-4,7-8,11H2,1H3,(H,25,27)(H,26,30)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 161n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PARP1


Bioorg Med Chem Lett 16: 1151-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.086
BindingDB Entry DOI: 10.7270/Q25H7FT4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50179058
PNG
(4-oxo-2,3,4,5,6,11-hexahydro-1H-5,11-diaza-benzo[a...)
Show SMILES O=C(NCCN1CCOCC1)c1ccc2[nH]c3c4CCCc4c4C(=O)NCc4c3c2c1
Show InChI InChI=1S/C24H26N4O3/c29-23(25-6-7-28-8-10-31-11-9-28)14-4-5-19-17(12-14)20-18-13-26-24(30)21(18)15-2-1-3-16(15)22(20)27-19/h4-5,12,27H,1-3,6-11,13H2,(H,25,29)(H,26,30)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 162n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PARP1


Bioorg Med Chem Lett 16: 1151-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.086
BindingDB Entry DOI: 10.7270/Q25H7FT4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50179067
PNG
(4-oxo-2,3,4,5,6,11-hexahydro-1H-5,11-diaza-benzo[a...)
Show SMILES CN(C)CCNC(=O)c1ccc2[nH]c3c4CCCc4c4C(=O)NCc4c3c2c1
Show InChI InChI=1S/C22H24N4O2/c1-26(2)9-8-23-21(27)12-6-7-17-15(10-12)18-16-11-24-22(28)19(16)13-4-3-5-14(13)20(18)25-17/h6-7,10,25H,3-5,8-9,11H2,1-2H3,(H,23,27)(H,24,28)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 165n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PARP1


Bioorg Med Chem Lett 16: 1151-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.086
BindingDB Entry DOI: 10.7270/Q25H7FT4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50179054
PNG
(8-methyl-1,2,3,5,6,11-hexahydro-5,11-diaza-benzo[a...)
Show SMILES Cc1ccc2[nH]c3c4CCCc4c4C(=O)NCc4c3c2c1
Show InChI InChI=1S/C18H16N2O/c1-9-5-6-14-12(7-9)15-13-8-19-18(21)16(13)10-3-2-4-11(10)17(15)20-14/h5-7,20H,2-4,8H2,1H3,(H,19,21)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PARP1


Bioorg Med Chem Lett 16: 1151-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.086
BindingDB Entry DOI: 10.7270/Q25H7FT4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50179055
PNG
(4-oxo-2,3,4,5,6,11-hexahydro-1H-5,11-diaza-benzo[a...)
Show SMILES CN(Cc1ccccn1)C(=O)c1ccc2[nH]c3c4CCCc4c4C(=O)NCc4c3c2c1
Show InChI InChI=1S/C25H22N4O2/c1-29(13-15-5-2-3-10-26-15)25(31)14-8-9-20-18(11-14)21-19-12-27-24(30)22(19)16-6-4-7-17(16)23(21)28-20/h2-3,5,8-11,28H,4,6-7,12-13H2,1H3,(H,27,30)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 237n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PARP1


Bioorg Med Chem Lett 16: 1151-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.086
BindingDB Entry DOI: 10.7270/Q25H7FT4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50179071
PNG
(CHEMBL205135 | {5-tert-butoxycarbonylamino-5-[(4-o...)
Show SMILES CC(C)(C)OC(=O)NCCCCC(NC(=O)OC(C)(C)C)C(=O)NCc1ccc2[nH]c3c4CCCc4c4C(=O)NCc4c3c2c1
Show InChI InChI=1S/C34H45N5O6/c1-33(2,3)44-31(42)35-15-8-7-12-25(39-32(43)45-34(4,5)6)29(40)36-17-19-13-14-24-22(16-19)26-23-18-37-30(41)27(23)20-10-9-11-21(20)28(26)38-24/h13-14,16,25,38H,7-12,15,17-18H2,1-6H3,(H,35,42)(H,36,40)(H,37,41)(H,39,43)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 670n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PARP1


Bioorg Med Chem Lett 16: 1151-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.086
BindingDB Entry DOI: 10.7270/Q25H7FT4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50179065
PNG
(11-methyl-1,2,3,5,6,11-hexahydro-5,11-diaza-benzo[...)
Show SMILES Cn1c2ccccc2c2c3CNC(=O)c3c3CCCc3c12
Show InChI InChI=1S/C18H16N2O/c1-20-14-8-3-2-5-12(14)15-13-9-19-18(21)16(13)10-6-4-7-11(10)17(15)20/h2-3,5,8H,4,6-7,9H2,1H3,(H,19,21)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 800n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PARP1


Bioorg Med Chem Lett 16: 1151-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.086
BindingDB Entry DOI: 10.7270/Q25H7FT4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50179072
PNG
(4-oxo-1,2,3,4,6,11-hexahydro-5,11-diaza-benzo[a]tr...)
Show SMILES O=CN1Cc2c(C1=O)c1CCCc1c1[nH]c3ccccc3c21
Show InChI InChI=1S/C18H14N2O2/c21-9-20-8-13-15-12-4-1-2-7-14(12)19-17(15)11-6-3-5-10(11)16(13)18(20)22/h1-2,4,7,9,19H,3,5-6,8H2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PARP1


Bioorg Med Chem Lett 16: 1151-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.086
BindingDB Entry DOI: 10.7270/Q25H7FT4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50179066
PNG
(5,11-dimethyl-1,2,3,5,6,11-hexahydro-5,11-diaza-be...)
Show SMILES CN1Cc2c(C1=O)c1CCCc1c1n(C)c3ccccc3c21
Show InChI InChI=1S/C19H18N2O/c1-20-10-14-16-13-6-3-4-9-15(13)21(2)18(16)12-8-5-7-11(12)17(14)19(20)22/h3-4,6,9H,5,7-8,10H2,1-2H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PARP1


Bioorg Med Chem Lett 16: 1151-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.086
BindingDB Entry DOI: 10.7270/Q25H7FT4
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50177479
PNG
(1,2,3,4,5,11-hexahydro-5,11-diaza-benzo[a]trinden-...)
Show SMILES O=C1NCc2c3CCCc3c3[nH]c4ccccc4c3c12
Show InChI InChI=1S/C17H14N2O/c20-17-15-12(8-18-17)9-5-3-6-10(9)16-14(15)11-4-1-2-7-13(11)19-16/h1-2,4,7,19H,3,5-6,8H2,(H,18,20)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PARP1


Bioorg Med Chem Lett 16: 1151-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.086
BindingDB Entry DOI: 10.7270/Q25H7FT4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%