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BDBM207571 US10501467, Example 16::US9260440, 16::US9617273, Example 16

SMILES: CC1(C)Cc2[nH]c3ccc(F)c4c3c2c(C1)n[nH]c4=O

InChI Key: InChIKey=XDQDKCGQZXCZGC-UHFFFAOYSA-N

Data: 6 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 207571   
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))
BDBM207571
PNG
(US10501467, Example 16 | US9260440, 16 | US9617273...)
Show SMILES CC1(C)Cc2[nH]c3ccc(F)c4c3c2c(C1)n[nH]c4=O
Show InChI InChI=1S/C15H14FN3O/c1-15(2)5-9-12-10(6-15)18-19-14(20)11-7(16)3-4-8(17-9)13(11)12/h3-4,17H,5-6H2,1-2H3,(H,19,20)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 9.10n/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))
BDBM207571
PNG
(US10501467, Example 16 | US9260440, 16 | US9617273...)
Show SMILES CC1(C)Cc2[nH]c3ccc(F)c4c3c2c(C1)n[nH]c4=O
Show InChI InChI=1S/C15H14FN3O/c1-15(2)5-9-12-10(6-15)18-19-14(20)11-7(16)3-4-8(17-9)13(11)12/h3-4,17H,5-6H2,1-2H3,(H,19,20)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.700n/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))
BDBM207571
PNG
(US10501467, Example 16 | US9260440, 16 | US9617273...)
Show SMILES CC1(C)Cc2[nH]c3ccc(F)c4c3c2c(C1)n[nH]c4=O
Show InChI InChI=1S/C15H14FN3O/c1-15(2)5-9-12-10(6-15)18-19-14(20)11-7(16)3-4-8(17-9)13(11)12/h3-4,17H,5-6H2,1-2H3,(H,19,20)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 700n/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))
BDBM207571
PNG
(US10501467, Example 16 | US9260440, 16 | US9617273...)
Show SMILES CC1(C)Cc2[nH]c3ccc(F)c4c3c2c(C1)n[nH]c4=O
Show InChI InChI=1S/C15H14FN3O/c1-15(2)5-9-12-10(6-15)18-19-14(20)11-7(16)3-4-8(17-9)13(11)12/h3-4,17H,5-6H2,1-2H3,(H,19,20)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 700n/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))
BDBM207571
PNG
(US10501467, Example 16 | US9260440, 16 | US9617273...)
Show SMILES CC1(C)Cc2[nH]c3ccc(F)c4c3c2c(C1)n[nH]c4=O
Show InChI InChI=1S/C15H14FN3O/c1-15(2)5-9-12-10(6-15)18-19-14(20)11-7(16)3-4-8(17-9)13(11)12/h3-4,17H,5-6H2,1-2H3,(H,19,20)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 9.10E+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))
BDBM207571
PNG
(US10501467, Example 16 | US9260440, 16 | US9617273...)
Show SMILES CC1(C)Cc2[nH]c3ccc(F)c4c3c2c(C1)n[nH]c4=O
Show InChI InChI=1S/C15H14FN3O/c1-15(2)5-9-12-10(6-15)18-19-14(20)11-7(16)3-4-8(17-9)13(11)12/h3-4,17H,5-6H2,1-2H3,(H,19,20)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 9.10E+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