BDBM50151035 4-{1-[3-(4-Oxo-3,4-dihydro-quinazolin-2-yl)-propyl]-1,2,3,6-tetrahydro-pyridin-4-yl}-benzonitrile::CHEMBL185742
SMILES: O=c1[nH]c(CCCN2CCC(=CC2)c2ccc(cc2)C#N)nc2ccccc12
InChI Key: InChIKey=MZHYWIJAWKIEEW-UHFFFAOYSA-N
Data: 1 IC50
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human)) | BDBM50151035 (4-{1-[3-(4-Oxo-3,4-dihydro-quinazolin-2-yl)-propyl...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL | Assay Description In vitro inhibitory concentration against human recombinant Poly (ADP-ribose) polymerase 1 | J Med Chem 47: 4151-4 (2004) Article DOI: 10.1021/jm0499256 BindingDB Entry DOI: 10.7270/Q21G0KQ6 | |||||||||||
More data for this Ligand-Target Pair |