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BDBM12696 1-(3-amino-1,2-benzoxazol-5-yl)-6-{4-[2-(morpholin-4-ylmethyl)phenyl]phenyl}-3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-7-one::BMS-740808 Analogue 6i

SMILES: Nc1noc2ccc(cc12)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CCOCC1)C(F)(F)F

InChI Key: InChIKey=WLRAVKVAWRRKIZ-UHFFFAOYSA-N

Data: 1 KI

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 12696   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Coagulation factor X


(Homo sapiens (Human))
BDBM12696
PNG
(1-(3-amino-1,2-benzoxazol-5-yl)-6-{4-[2-(morpholin...)
Show SMILES Nc1noc2ccc(cc12)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C31H27F3N6O3/c32-31(33,34)28-24-11-12-39(30(41)27(24)40(36-28)22-9-10-26-25(17-22)29(35)37-43-26)21-7-5-19(6-8-21)23-4-2-1-3-20(23)18-38-13-15-42-16-14-38/h1-10,17H,11-16,18H2,(H2,35,37)
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Similars

Article
PubMed
0.350 -12.8n/an/an/an/an/a7.022



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: 4141-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.069
BindingDB Entry DOI: 10.7270/Q26T0JW1
More data for this
Ligand-Target Pair