BDBM50220858 (S)-8-chloro-2-(3-(4-phenylpiperidin-1-yl)cyclopent-1-enyl)quinazolin-4(3H)-one::8-chloro-2-((3S)-3-(4-phenylpiperidin-1-yl)cyclopent-1-enyl)quinazolin-4(3H)-one::CHEMBL248648
SMILES: Clc1cccc2c1nc([nH]c2=O)C1=C[C@H](CC1)N1CCC(CC1)c1ccccc1
InChI Key: InChIKey=WGBZFQJXRNSUNB-IBGZPJMESA-N
Data: 2 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)) | BDBM50220858 ((S)-8-chloro-2-(3-(4-phenylpiperidin-1-yl)cyclopen...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 8.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Johns Hopkins University Brain Science Institute Curated by ChEMBL | Assay Description Inhibition of PARP1 | J Med Chem 53: 4561-84 (2010) Article DOI: 10.1021/jm100012m BindingDB Entry DOI: 10.7270/Q2NV9JF0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human)) | BDBM50220858 ((S)-8-chloro-2-(3-(4-phenylpiperidin-1-yl)cyclopen...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 8.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Astellas Pharma Inc. Curated by ChEMBL | Assay Description Inhibition of human PARP1 | Bioorg Med Chem Lett 17: 5577-81 (2007) Article DOI: 10.1016/j.bmcl.2007.07.091 BindingDB Entry DOI: 10.7270/Q2Q23ZZ3 | |||||||||||
More data for this Ligand-Target Pair |