null
SMILES: COc1ccc(cc1)-c1nc2c([nH]1)c(cc1ccccc21)C(C)C
InChI Key: InChIKey=ZFRQMIPKEPUCBX-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 3 hits for monomerid = 85512 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 |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM85512
(CAS_76145-76-1 | NSC_53454 | Tomoxiprol)Show SMILES COc1ccc(cc1)-c1nc2c([nH]1)c(cc1ccccc21)C(C)C Show InChI InChI=1S/C21H20N2O/c1-13(2)18-12-15-6-4-5-7-17(15)19-20(18)23-21(22-19)14-8-10-16(24-3)11-9-14/h4-13H,1-3H3,(H,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St. Bartholomew's and the Royal London School of Medicine and Dentistry
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 96: 7563-8 (1999)
Article DOI: 10.1073/pnas.96.13.7563 BindingDB Entry DOI: 10.7270/Q21G0JT4 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM85512
(CAS_76145-76-1 | NSC_53454 | Tomoxiprol)Show SMILES COc1ccc(cc1)-c1nc2c([nH]1)c(cc1ccccc21)C(C)C Show InChI InChI=1S/C21H20N2O/c1-13(2)18-12-15-6-4-5-7-17(15)19-20(18)23-21(22-19)14-8-10-16(24-3)11-9-14/h4-13H,1-3H3,(H,22,23) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 7.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St. Bartholomew's and the Royal London School of Medicine and Dentistry
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 96: 7563-8 (1999)
Article DOI: 10.1073/pnas.96.13.7563 BindingDB Entry DOI: 10.7270/Q21G0JT4 |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM85512
(CAS_76145-76-1 | NSC_53454 | Tomoxiprol)Show SMILES COc1ccc(cc1)-c1nc2c([nH]1)c(cc1ccccc21)C(C)C Show InChI InChI=1S/C21H20N2O/c1-13(2)18-12-15-6-4-5-7-17(15)19-20(18)23-21(22-19)14-8-10-16(24-3)11-9-14/h4-13H,1-3H3,(H,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St. Bartholomew's and the Royal London School of Medicine and Dentistry
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 96: 7563-8 (1999)
Article DOI: 10.1073/pnas.96.13.7563 BindingDB Entry DOI: 10.7270/Q21G0JT4 |
More data for this Ligand-Target Pair | |