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BDBM12673 1-(3-amino-1,2-benzoxazol-5-yl)-N-{2-fluoro-4-[2-(hydroxymethyl)-1H-imidazol-1-yl]phenyl}-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide; 2,2,2-trifluoroacetic acid::N-[4-(2-[Hydroxymethyl]-1H-imidazol-1-yl)-2-fluorophenyl]-1-(3-amino-1,2-benzisoxazol-5-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide::Razaxaban Analogue::aminobenzisoxazole 35

SMILES: Nc1noc2ccc(cc12)-n1nc(cc1C(=O)Nc1ccc(cc1F)-n1ccnc1CO)C(F)(F)F

InChI Key: InChIKey=PNIJAJQGAGODFB-UHFFFAOYSA-N

Data: 2 KI

PDB links: 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 12673   
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))
BDBM12673
PNG
(1-(3-amino-1,2-benzoxazol-5-yl)-N-{2-fluoro-4-[2-(...)
Show SMILES Nc1noc2ccc(cc12)-n1nc(cc1C(=O)Nc1ccc(cc1F)-n1ccnc1CO)C(F)(F)F
Show InChI InChI=1S/C22H15F4N7O3/c23-14-8-11(32-6-5-28-19(32)10-34)1-3-15(14)29-21(35)16-9-18(22(24,25)26)30-33(16)12-2-4-17-13(7-12)20(27)31-36-17/h1-9,34H,10H2,(H2,27,31)(H,29,35)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1 -12.1n/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...


J Med Chem 48: 1729-44 (2005)


Article DOI: 10.1021/jm0497949
BindingDB Entry DOI: 10.7270/Q2BK19K9
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM12673
PNG
(1-(3-amino-1,2-benzoxazol-5-yl)-N-{2-fluoro-4-[2-(...)
Show SMILES Nc1noc2ccc(cc12)-n1nc(cc1C(=O)Nc1ccc(cc1F)-n1ccnc1CO)C(F)(F)F
Show InChI InChI=1S/C22H15F4N7O3/c23-14-8-11(32-6-5-28-19(32)10-34)1-3-15(14)29-21(35)16-9-18(22(24,25)26)30-33(16)12-2-4-17-13(7-12)20(27)31-36-17/h1-9,34H,10H2,(H2,27,31)(H,29,35)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.70E+3n/an/an/an/an/an/an/an/a



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...


J Med Chem 48: 1729-44 (2005)


Article DOI: 10.1021/jm0497949
BindingDB Entry DOI: 10.7270/Q2BK19K9
More data for this
Ligand-Target Pair