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BDBM50228915 1-[2-(3-amino-benzo[d]isoxazol-5-yl)-5-trifluoromethyl-2H-pyrazol-3-yl]-2-[4-(2-dimethylaminomethyl-imidazol-1-yl)-phenyl]-ethanone::CHEMBL442292

SMILES: CN(C)Cc1nccn1-c1ccc(CC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)cc1

InChI Key: InChIKey=VQBNZDYHKWNFIA-UHFFFAOYSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50228915   
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))
BDBM50228915
PNG
(1-[2-(3-amino-benzo[d]isoxazol-5-yl)-5-trifluorome...)
Show SMILES CN(C)Cc1nccn1-c1ccc(CC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)cc1
Show InChI InChI=1S/C25H22F3N7O2/c1-33(2)14-23-30-9-10-34(23)16-5-3-15(4-6-16)11-20(36)19-13-22(25(26,27)28)31-35(19)17-7-8-21-18(12-17)24(29)32-37-21/h3-10,12-13H,11,14H2,1-2H3,(H2,29,32)
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PC cid
PC sid
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Similars

Article
PubMed
0.970n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem Lett 18: 749-54 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.040
BindingDB Entry DOI: 10.7270/Q2DV1KQS
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50228915
PNG
(1-[2-(3-amino-benzo[d]isoxazol-5-yl)-5-trifluorome...)
Show SMILES CN(C)Cc1nccn1-c1ccc(CC(=O)c2cc(nn2-c2ccc3onc(N)c3c2)C(F)(F)F)cc1
Show InChI InChI=1S/C25H22F3N7O2/c1-33(2)14-23-30-9-10-34(23)16-5-3-15(4-6-16)11-20(36)19-13-22(25(26,27)28)31-35(19)17-7-8-21-18(12-17)24(29)32-37-21/h3-10,12-13H,11,14H2,1-2H3,(H2,29,32)
PDB

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antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
350n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human thrombin


Bioorg Med Chem Lett 18: 749-54 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.040
BindingDB Entry DOI: 10.7270/Q2DV1KQS
More data for this
Ligand-Target Pair