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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 = 'BDBM50593627'   
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))
BDBM50593627
PNG
(CHEMBL5199558)
Show SMILES Cc1ccc2n1cc([nH]c2=O)-c1ccc(cc1)C(C)(C)O
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
n/an/a 140n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) from rat liver


Citation and Details
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50593627
PNG
(CHEMBL5199558)
Show SMILES Cc1ccc2n1cc([nH]c2=O)-c1ccc(cc1)C(C)(C)O
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 928n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02139
BindingDB Entry DOI: 10.7270/Q27H1PK7
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50593627
PNG
(CHEMBL5199558)
Show SMILES Cc1ccc2n1cc([nH]c2=O)-c1ccc(cc1)C(C)(C)O
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
n/an/a 928n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against dihydrofolate reductase (DHFR) of Neisseria gonorrhoea


Citation and Details
More data for this
Ligand-Target Pair