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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50154727   
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))
BDBM50154727
PNG
(1-Oxo-1,2,3,4-tetrahydro-[1,4]diazepino[6,7,1-hi]i...)
Show SMILES CO\N=C\c1cn2CCNC(=O)c3cccc1c23
Show InChI InChI=1S/C13H13N3O2/c1-18-15-7-9-8-16-6-5-14-13(17)11-4-2-3-10(9)12(11)16/h2-4,7-8H,5-6H2,1H3,(H,14,17)/b15-7+
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
809n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PARP-1


J Med Chem 54: 2529-91 (2011)


Article DOI: 10.1021/jm1013693
BindingDB Entry DOI: 10.7270/Q24M95PH
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50154727
PNG
(1-Oxo-1,2,3,4-tetrahydro-[1,4]diazepino[6,7,1-hi]i...)
Show SMILES CO\N=C\c1cn2CCNC(=O)c3cccc1c23
Show InChI InChI=1S/C13H13N3O2/c1-18-15-7-9-8-16-6-5-14-13(17)11-4-2-3-10(9)12(11)16/h2-4,7-8H,5-6H2,1H3,(H,14,17)/b15-7+
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
809n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of human Poly (ADP-ribose) polymerase 1 enzyme


J Med Chem 47: 5467-81 (2004)


Article DOI: 10.1021/jm030513r
BindingDB Entry DOI: 10.7270/Q2PK0FM4
More data for this
Ligand-Target Pair