BDBM12864 1-(3-amino-1,2-benzoxazol-5-yl)-6-(4-{2-[(dimethylamino)methyl]phenyl}phenyl)-5-methyl-3-(trifluoromethyl)-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one::Pyrazolo[4,3-d]pyrimidinone 23b
SMILES: CN(C)Cc1ccccc1-c1ccc(cc1)-n1c(C)nc2c(nn(-c3ccc4onc(N)c4c3)c2c1=O)C(F)(F)F
InChI Key: InChIKey=LUFLMQPOYZXEPI-UHFFFAOYSA-N
Data: 4 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Coagulation factor X (Homo sapiens (Human)) | BDBM12864 (1-(3-amino-1,2-benzoxazol-5-yl)-6-(4-{2-[(dimethyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.170 | -13.2 | n/a | n/a | n/a | n/a | n/a | 7.0 | 22 |
Bristol-Myers Squibb Pharmaceutical Research Institute | Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter... | Bioorg Med Chem Lett 16: 5176-82 (2006) Article DOI: 10.1016/j.bmcl.2006.07.002 BindingDB Entry DOI: 10.7270/Q29K48GC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor X (Homo sapiens (Human)) | BDBM12864 (1-(3-amino-1,2-benzoxazol-5-yl)-6-(4-{2-[(dimethyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company Curated by ChEMBL | Assay Description Inhibition of factor 10a | J Med Chem 53: 6243-74 (2010) Article DOI: 10.1021/jm100146h BindingDB Entry DOI: 10.7270/Q2CR5VBB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM12864 (1-(3-amino-1,2-benzoxazol-5-yl)-6-(4-{2-[(dimethyl...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 130 | -9.29 | n/a | n/a | n/a | n/a | n/a | 7.0 | 22 |
Bristol-Myers Squibb Pharmaceutical Research Institute | Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter... | Bioorg Med Chem Lett 16: 5176-82 (2006) Article DOI: 10.1016/j.bmcl.2006.07.002 BindingDB Entry DOI: 10.7270/Q29K48GC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor IX (Homo sapiens (Human)) | BDBM12864 (1-(3-amino-1,2-benzoxazol-5-yl)-6-(4-{2-[(dimethyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 3.70E+4 | -6.04 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Bristol-Myers Squibb Pharmaceutical Research Institute | Assay Description Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter... | Bioorg Med Chem Lett 16: 5176-82 (2006) Article DOI: 10.1016/j.bmcl.2006.07.002 BindingDB Entry DOI: 10.7270/Q29K48GC | |||||||||||
More data for this Ligand-Target Pair |