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BDBM19020 1-{4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-6-yl]phenyl}piperidin-2-one::trifluoromethylpyrazole analogue, 38a

SMILES: COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)N1CCCCC1=O)C(F)(F)F

InChI Key: InChIKey=ADVBFHLRMYDWJH-UHFFFAOYSA-N

Data: 2 KI

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 = 19020   
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))
BDBM19020
PNG
(1-{4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)N1CCCCC1=O)C(F)(F)F
Show InChI InChI=1S/C25H23F3N4O3/c1-35-19-11-9-18(10-12-19)32-22-20(23(29-32)25(26,27)28)13-15-31(24(22)34)17-7-5-16(6-8-17)30-14-3-2-4-21(30)33/h5-12H,2-4,13-15H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.230n/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...


J Med Chem 50: 5339-56 (2007)


Article DOI: 10.1021/jm070245n
BindingDB Entry DOI: 10.7270/Q2Q23XJ9
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM19020
PNG
(1-{4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)N1CCCCC1=O)C(F)(F)F
Show InChI InChI=1S/C25H23F3N4O3/c1-35-19-11-9-18(10-12-19)32-22-20(23(29-32)25(26,27)28)13-15-31(24(22)34)17-7-5-16(6-8-17)30-14-3-2-4-21(30)33/h5-12H,2-4,13-15H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.40E+3n/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...


J Med Chem 50: 5339-56 (2007)


Article DOI: 10.1021/jm070245n
BindingDB Entry DOI: 10.7270/Q2Q23XJ9
More data for this
Ligand-Target Pair