BDBM206061 US9255106, S3
SMILES: CC1CN(Cc2nnc(n12)C(F)(F)F)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
InChI Key:
Data: 12 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)) | BDBM206061 (US9255106, S3) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | <20 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Materia Medica, Chinese Academy of Sciences US Patent | Assay Description The HTb-PARP1 positive clones were obtained using the full-length PARP1 plasmid, through PCR amplification, enzyme digestion, ligation, and transform... | US Patent US9255106 (2016) BindingDB Entry DOI: 10.7270/Q2610Z5N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human)) | BDBM206061 (US9255106, S3) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Materia Medica, Chinese Academy of Sciences US Patent | Assay Description The HTb-PARP1 positive clones were obtained using the full-length PARP1 plasmid, through PCR amplification, enzyme digestion, ligation, and transform... | US Patent US9255106 (2016) BindingDB Entry DOI: 10.7270/Q2610Z5N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human)) | BDBM206061 (US9255106, S3) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 17.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Materia Medica, Chinese Academy of Sciences US Patent | Assay Description Based on the preliminary PARP1 inhibition evaluation of compounds at molecular level by ELISA, compounds were further evaluated for their cellular in... | US Patent US9255106 (2016) BindingDB Entry DOI: 10.7270/Q2610Z5N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human)) | BDBM206061 (US9255106, S3) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 0.740 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Materia Medica, Chinese Academy of Sciences US Patent | Assay Description In order to test the selectivity of substituents on piperazinotriazole ring within the PARP family, the selectivity of compound S3 and positive compo... | US Patent US9255106 (2016) BindingDB Entry DOI: 10.7270/Q2610Z5N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human)) | BDBM206061 (US9255106, S3) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 0.220 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Materia Medica, Chinese Academy of Sciences US Patent | Assay Description In order to test the selectivity of substituents on piperazinotriazole ring within the PARP family, the selectivity of compound S3 and positive compo... | US Patent US9255106 (2016) BindingDB Entry DOI: 10.7270/Q2610Z5N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human)) | BDBM206061 (US9255106, S3) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Nirma University Curated by ChEMBL | Assay Description Inhibition of recombinant human PARP1 using histone as substrate after 1 hr in presence of NAD+ by ELISA | Eur J Med Chem 165: 198-215 (2019) Article DOI: 10.1016/j.ejmech.2019.01.024 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human)) | BDBM206061 (US9255106, S3) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 650 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Materia Medica, Chinese Academy of Sciences US Patent | Assay Description In order to test the selectivity of substituents on piperazinotriazole ring within the PARP family, the selectivity of compound S3 and positive compo... | US Patent US9255106 (2016) BindingDB Entry DOI: 10.7270/Q2610Z5N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human)) | BDBM206061 (US9255106, S3) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 930 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Materia Medica, Chinese Academy of Sciences US Patent | Assay Description In order to test the selectivity of substituents on piperazinotriazole ring within the PARP family, the selectivity of compound S3 and positive compo... | US Patent US9255106 (2016) BindingDB Entry DOI: 10.7270/Q2610Z5N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human)) | BDBM206061 (US9255106, S3) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 372 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Materia Medica, Chinese Academy of Sciences US Patent | Assay Description In order to test the selectivity of substituents on piperazinotriazole ring within the PARP family, the selectivity of compound S3 and positive compo... | US Patent US9255106 (2016) BindingDB Entry DOI: 10.7270/Q2610Z5N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human)) | BDBM206061 (US9255106, S3) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 0.740 | n/a | n/a | n/a | n/a | n/a | n/a |
Nirma University Curated by ChEMBL | Assay Description Inhibition of PARP1 (unknown origin) by NAD+ based assay | Eur J Med Chem 165: 198-215 (2019) Article DOI: 10.1016/j.ejmech.2019.01.024 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human)) | BDBM206061 (US9255106, S3) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 0.220 | n/a | n/a | n/a | n/a | n/a | n/a |
Nirma University Curated by ChEMBL | Assay Description Inhibition of recombinant human PARP2 using histone as substrate after 1 hr in presence of NAD+ by ELISA | Eur J Med Chem 165: 198-215 (2019) Article DOI: 10.1016/j.ejmech.2019.01.024 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3) (Homo sapiens (Human)) | BDBM206061 (US9255106, S3) | PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 66.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Materia Medica, Chinese Academy of Sciences US Patent | Assay Description In order to test the selectivity of substituents on piperazinotriazole ring within the PARP family, the selectivity of compound S3 and positive compo... | US Patent US9255106 (2016) BindingDB Entry DOI: 10.7270/Q2610Z5N | |||||||||||
More data for this Ligand-Target Pair |