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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM207576'   
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))
BDBM207576
PNG
(US10501467, Example 21 | US9260440, 21 | US9617273...)
Show SMILES Fc1cc2[nH]c3CN(Cc4n[nH]c(=O)c(c1)c2c34)C(=O)OCc1ccccc1
Show InChI InChI=1S/C20H15FN4O3/c21-12-6-13-17-14(7-12)22-15-8-25(9-16(18(15)17)23-24-19(13)26)20(27)28-10-11-4-2-1-3-5-11/h1-7,22H,8-10H2,(H,24,26)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7n/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 1


(Homo sapiens (Human))
BDBM207576
PNG
(US10501467, Example 21 | US9260440, 21 | US9617273...)
Show SMILES Fc1cc2[nH]c3CN(Cc4n[nH]c(=O)c(c1)c2c34)C(=O)OCc1ccccc1
Show InChI InChI=1S/C20H15FN4O3/c21-12-6-13-17-14(7-12)22-15-8-25(9-16(18(15)17)23-24-19(13)26)20(27)28-10-11-4-2-1-3-5-11/h1-7,22H,8-10H2,(H,24,26)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7.00E+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))
BDBM207576
PNG
(US10501467, Example 21 | US9260440, 21 | US9617273...)
Show SMILES Fc1cc2[nH]c3CN(Cc4n[nH]c(=O)c(c1)c2c34)C(=O)OCc1ccccc1
Show InChI InChI=1S/C20H15FN4O3/c21-12-6-13-17-14(7-12)22-15-8-25(9-16(18(15)17)23-24-19(13)26)20(27)28-10-11-4-2-1-3-5-11/h1-7,22H,8-10H2,(H,24,26)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7.00E+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