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Found 2 hits Enz. Inhib. hit(s) with Target = 'poly-ADP-ribose polymerase 1 (PARP1)' and Ligand = 'BDBM50145152'   
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 (PARP1)


(Homo sapiens (human))
BDBM50145152
PNG
(CHEMBL3763446)
Show SMILES Cn1ncnc1[C@@H]1[C@H](Nc2cccc3c2c1n[nH]c3=O)c1ccc(F)cc1
Show InChI InChI=1/C19H15FN6O/c1-26-18(21-9-22-26)15-16(10-5-7-11(20)8-6-10)23-13-4-2-3-12-14(13)17(15)24-25-19(12)27/h2-9,15-16,23H,1H3,(H,25,27)/t15-,16-/s2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.5n/an/an/an/an/an/a



BioMarin Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PARP1 using [3H]NAD as substrate after 1 min by microplate scintillation counting analysis


Citation and Details
More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM50145152
PNG
(CHEMBL3763446)
Show SMILES Cn1ncnc1[C@@H]1[C@H](Nc2cccc3c2c1n[nH]c3=O)c1ccc(F)cc1
Show InChI InChI=1/C19H15FN6O/c1-26-18(21-9-22-26)15-16(10-5-7-11(20)8-6-10)23-13-4-2-3-12-14(13)17(15)24-25-19(12)27/h2-9,15-16,23H,1H3,(H,25,27)/t15-,16-/s2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 5.10n/an/an/an/a



BioMarin Pharmaceutical Inc.

Curated by ChEMBL


Assay Description
Inhibition of PARP in human LoVo cells assessed as inhibition of poly(ADP)-ribose polymerization for 30 mins by fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair