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BDBM19040 6-[1-(2-{[(2S)-2-hydroxypyrrolidin-1-yl]methyl}phenyl)piperidin-4-yl]-1-(4-methoxyphenyl)-7-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-3-carboxamide::Pyrazole-based inhibitor containing N-arylpiperidiny, 16e

SMILES: COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C3CCN(CC3)c3ccccc3CN3CCC[C@@H]3O)C(=O)c12

InChI Key: InChIKey=LJAOENIQJNXLHY-SANMLTNESA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 19040   
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/antithrombin III


(Homo sapiens (human))
BDBM19040
PNG
(6-[1-(2-{[(2S)-2-hydroxypyrrolidin-1-yl]methyl}phe...)
Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCN(C3CCN(CC3)c3ccccc3CN3CCC[C@@H]3O)C(=O)c12
Show InChI InChI=1S/C30H36N6O4/c1-40-23-10-8-22(9-11-23)36-28-24(27(32-36)29(31)38)14-18-35(30(28)39)21-12-16-33(17-13-21)25-6-3-2-5-20(25)19-34-15-4-7-26(34)37/h2-3,5-6,8-11,21,26,37H,4,7,12-19H2,1H3,(H2,31,38)/t26-/m0/s1
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MMDB

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Similars

Article
PubMed
0.870 -12.2n/an/an/an/an/a7.022



Bristol-Myers Squibb Company



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 17: 1432-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.071
BindingDB Entry DOI: 10.7270/Q2KD1W5D
More data for this
Ligand-Target Pair