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BDBM224629 US9328111, 2

SMILES: O=c1[nH]nc2c3CCCCc3[nH]c3cccc1c23

InChI Key: InChIKey=YTZCTEISEKPJTQ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 224629   
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))
BDBM224629
PNG
(US9328111, 2)
Show SMILES O=c1[nH]nc2c3CCCCc3[nH]c3cccc1c23
Show InChI InChI=1S/C14H13N3O/c18-14-9-5-3-7-11-12(9)13(16-17-14)8-4-1-2-6-10(8)15-11/h3,5,7,15H,1-2,4,6H2,(H,17,18)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 6.10n/an/an/an/an/an/a



BeiGene Ltd.

US Patent


Assay Description
PARP1 enzymatic assay was conducted using a method modified from HT F Homogeneous PARP Inhibition Assay Kit (Trevigen). 8.8 nM PARP1 was pre-incubate...


US Patent US9328111 (2016)


BindingDB Entry DOI: 10.7270/Q23J3BT3
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM224629
PNG
(US9328111, 2)
Show SMILES O=c1[nH]nc2c3CCCCc3[nH]c3cccc1c23
Show InChI InChI=1S/C14H13N3O/c18-14-9-5-3-7-11-12(9)13(16-17-14)8-4-1-2-6-10(8)15-11/h3,5,7,15H,1-2,4,6H2,(H,17,18)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 3.20n/an/an/an/an/an/a



BeiGene Ltd.

US Patent


Assay Description
Tankyrase-2 enzymatic assay was conducted using commercial Tankyrase-2 Chemiluminescent Assay Kit (BPS Biosciences) and the protocol with the kit. GS...


US Patent US9328111 (2016)


BindingDB Entry DOI: 10.7270/Q23J3BT3
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM224629
PNG
(US9328111, 2)
Show SMILES O=c1[nH]nc2c3CCCCc3[nH]c3cccc1c23
Show InChI InChI=1S/C14H13N3O/c18-14-9-5-3-7-11-12(9)13(16-17-14)8-4-1-2-6-10(8)15-11/h3,5,7,15H,1-2,4,6H2,(H,17,18)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.770n/an/an/an/an/an/a



BeiGene Ltd.

US Patent


Assay Description
PARP2 and PARP3 enzymatic assays were conducted using commercial PARP-2/PARP-3 Chemiluminescent Assay Kit (BPS Biosciences) and the protocols with th...


US Patent US9328111 (2016)


BindingDB Entry DOI: 10.7270/Q23J3BT3
More data for this
Ligand-Target Pair