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SMILES: N[C@@H](Cc1ccccc1)C(=O)N1Cc2[nH]c3cccc4c3c2c(C1)n[nH]c4=O

InChI Key: InChIKey=FTDIDYHPPUJDGJ-AWEZNQCLSA-N

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 3 hits for monomerid = 207619   
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))
BDBM207619
PNG
(US10501467, Example 64 | US9260440, 64 | US9617273...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N1Cc2[nH]c3cccc4c3c2c(C1)n[nH]c4=O |r|
Show InChI InChI=1S/C21H17N5O2/c22-14(9-12-5-2-1-3-6-12)21(28)26-10-16-19-17(11-26)24-25-20(27)13-7-4-8-15(23-16)18(13)19/h1-8,14H,9-11,22H2/t14-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 33n/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))
BDBM207619
PNG
(US10501467, Example 64 | US9260440, 64 | US9617273...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N1Cc2[nH]c3cccc4c3c2c(C1)n[nH]c4=O |r|
Show InChI InChI=1S/C21H17N5O2/c22-14(9-12-5-2-1-3-6-12)21(28)26-10-16-19-17(11-26)24-25-20(27)13-7-4-8-15(23-16)18(13)19/h1-8,14H,9-11,22H2/t14-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.30E+4n/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))
BDBM207619
PNG
(US10501467, Example 64 | US9260440, 64 | US9617273...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N1Cc2[nH]c3cccc4c3c2c(C1)n[nH]c4=O |r|
Show InChI InChI=1S/C21H17N5O2/c22-14(9-12-5-2-1-3-6-12)21(28)26-10-16-19-17(11-26)24-25-20(27)13-7-4-8-15(23-16)18(13)19/h1-8,14H,9-11,22H2/t14-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.30E+4n/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