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BDBM12753 N-[4-(1H-1,3-benzodiazol-1-yl)-2-fluorophenyl]-1-(3-carbamimidoylphenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide::pyrazole analog 3b

SMILES: NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-n1cnc2ccccc12)C(F)(F)F

InChI Key: InChIKey=TWBHVKYRNOGUJS-UHFFFAOYSA-N

Data: 2 KI

PDB links: 1 PDB ID matches 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 = 12753   
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))
BDBM12753
PNG
(N-[4-(1H-1,3-benzodiazol-1-yl)-2-fluorophenyl]-1-(...)
Show SMILES NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-n1cnc2ccccc12)C(F)(F)F
Show InChI InChI=1S/C25H17F4N7O/c26-17-11-15(35-13-32-19-6-1-2-7-20(19)35)8-9-18(17)33-24(37)21-12-22(25(27,28)29)34-36(21)16-5-3-4-14(10-16)23(30)31/h1-13H,(H3,30,31)(H,33,37)
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UniProtKB/SwissProt

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MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
0.100 -13.5n/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 14: 5263-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2TH8JX0
More data for this
Ligand-Target Pair
Coagulation factor IX


(Homo sapiens (Human))
BDBM12753
PNG
(N-[4-(1H-1,3-benzodiazol-1-yl)-2-fluorophenyl]-1-(...)
Show SMILES NC(=N)c1cccc(c1)-n1nc(cc1C(=O)Nc1ccc(cc1F)-n1cnc2ccccc12)C(F)(F)F
Show InChI InChI=1S/C25H17F4N7O/c26-17-11-15(35-13-32-19-6-1-2-7-20(19)35)8-9-18(17)33-24(37)21-12-22(25(27,28)29)34-36(21)16-5-3-4-14(10-16)23(30)31/h1-13H,(H3,30,31)(H,33,37)
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MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem
MMDB
PDB
Article
PubMed
13n/an/an/an/an/an/an/an/a



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 14: 5263-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2TH8JX0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)