BDBM12868 1-(3-amino-1,2-benzoxazol-5-yl)-6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phenyl)phenyl]-3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one::dihydropyrazolo[4,3-d]pyrimidinone 24b

SMILES Nc1noc2ccc(cc12)-n1nc(c2NCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1)C(F)(F)F

InChI Key InChIKey=KWXHTGARBNTADQ-OAQYLSRUSA-N

Data  3 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 12868   

TargetCoagulation factor X(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

LigandPNGBDBM12868(1-(3-amino-1,2-benzoxazol-5-yl)-6-[4-(2-{[(3R)-3-h...)
Affinity DataKi:  0.210nM ΔG°:  -13.1kcal/molepH: 7.0 T: 2°CAssay 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...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

LigandPNGBDBM12868(1-(3-amino-1,2-benzoxazol-5-yl)-6-[4-(2-{[(3R)-3-h...)
Affinity DataKi:  130nM ΔG°:  -9.29kcal/molepH: 7.0 T: 2°CAssay 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...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCoagulation factor IX(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

LigandPNGBDBM12868(1-(3-amino-1,2-benzoxazol-5-yl)-6-[4-(2-{[(3R)-3-h...)
Affinity DataKi: >4.10E+4nM ΔG°: >-5.98kcal/molepH: 7.4 T: 2°CAssay 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...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed