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BDBM207575 US10501467, Example 20::US9260440, 20::US9617273, Example 20

SMILES: O=C(OCc1ccccc1)N1Cc2[nH]c3cccc4c3c2c(C1)n[nH]c4=O

InChI Key: InChIKey=DWPOZLNCERCETA-UHFFFAOYSA-N

Data: 6 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 207575   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM207575
PNG
(US10501467, Example 20 | US9260440, 20 | US9617273...)
Show SMILES O=C(OCc1ccccc1)N1Cc2[nH]c3cccc4c3c2c(C1)n[nH]c4=O
Show InChI InChI=1S/C20H16N4O3/c25-19-13-7-4-8-14-17(13)18-15(21-14)9-24(10-16(18)22-23-19)20(26)27-11-12-5-2-1-3-6-12/h1-8,21H,9-11H2,(H,23,25)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 8.90n/an/an/an/a8.0n/a



BeiGene, Ltd.

US Patent


Assay Description
PARP-1 enzymatic assay was conducted using a method modified from HT F Homogeneous PARP Inhibition Assay Kit (Trevigen). 8.8 nM PARP-1 was pre-incuba...


US Patent US9260440 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KBD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
BDBM207575
PNG
(US10501467, Example 20 | US9260440, 20 | US9617273...)
Show SMILES O=C(OCc1ccccc1)N1Cc2[nH]c3cccc4c3c2c(C1)n[nH]c4=O
Show InChI InChI=1S/C20H16N4O3/c25-19-13-7-4-8-14-17(13)18-15(21-14)9-24(10-16(18)22-23-19)20(26)27-11-12-5-2-1-3-6-12/h1-8,21H,9-11H2,(H,23,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.5n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
PARP-2 and PARP-3 enzymatic assays were conducted using commercial PARP-2/PARP-3 Chemiluminescent Assay Kit (BPS Biosciences) and the protocols with ...


US Patent US9260440 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KBD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
BDBM207575
PNG
(US10501467, Example 20 | US9260440, 20 | US9617273...)
Show SMILES O=C(OCc1ccccc1)N1Cc2[nH]c3cccc4c3c2c(C1)n[nH]c4=O
Show InChI InChI=1S/C20H16N4O3/c25-19-13-7-4-8-14-17(13)18-15(21-14)9-24(10-16(18)22-23-19)20(26)27-11-12-5-2-1-3-6-12/h1-8,21H,9-11H2,(H,23,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 500n/an/an/an/an/an/a



BEIGENE, LTD.

US Patent


Assay Description
PARP-2 and PARP-3 enzymatic assays were conducted using commercial PARP-2/PARP-3 Chemiluminescent Assay Kit (BPS Biosciences) and the protocols with ...


US Patent US10501467 (2019)


BindingDB Entry DOI: 10.7270/Q2Z89FS5
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
BDBM207575
PNG
(US10501467, Example 20 | US9260440, 20 | US9617273...)
Show SMILES O=C(OCc1ccccc1)N1Cc2[nH]c3cccc4c3c2c(C1)n[nH]c4=O
Show InChI InChI=1S/C20H16N4O3/c25-19-13-7-4-8-14-17(13)18-15(21-14)9-24(10-16(18)22-23-19)20(26)27-11-12-5-2-1-3-6-12/h1-8,21H,9-11H2,(H,23,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 500n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
PARP-2 and PARP-3 enzymatic assays were conducted using commercial PARP-2/PARP-3 Chemiluminescent Assay Kit (BPS Biosciences) and the protocols with ...


US Patent US9617273 (2017)


BindingDB Entry DOI: 10.7270/Q2CN75ZV
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM207575
PNG
(US10501467, Example 20 | US9260440, 20 | US9617273...)
Show SMILES O=C(OCc1ccccc1)N1Cc2[nH]c3cccc4c3c2c(C1)n[nH]c4=O
Show InChI InChI=1S/C20H16N4O3/c25-19-13-7-4-8-14-17(13)18-15(21-14)9-24(10-16(18)22-23-19)20(26)27-11-12-5-2-1-3-6-12/h1-8,21H,9-11H2,(H,23,25)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 8.90E+3n/an/an/an/an/an/a



BEIGENE, LTD.

US Patent


Assay Description
PARP-1 enzymatic assay was conducted using a method modified from HT F Homogeneous PARP Inhibition Assay Kit (Trevigen). 8.8 nM PARP-1 was pre-incuba...


US Patent US10501467 (2019)


BindingDB Entry DOI: 10.7270/Q2Z89FS5
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM207575
PNG
(US10501467, Example 20 | US9260440, 20 | US9617273...)
Show SMILES O=C(OCc1ccccc1)N1Cc2[nH]c3cccc4c3c2c(C1)n[nH]c4=O
Show InChI InChI=1S/C20H16N4O3/c25-19-13-7-4-8-14-17(13)18-15(21-14)9-24(10-16(18)22-23-19)20(26)27-11-12-5-2-1-3-6-12/h1-8,21H,9-11H2,(H,23,25)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 8.90E+3n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
PARP-1 enzymatic assay was conducted using a method modified from HT F Homogeneous PARP Inhibition Assay Kit (Trevigen). 8.8 nM PARP-1 was pre-incuba...


US Patent US9617273 (2017)


BindingDB Entry DOI: 10.7270/Q2CN75ZV
More data for this
Ligand-Target Pair