BDBM12657 1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsulfonyl)-[1,1-biphenyl]-4-yl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide::1-[3-(aminomethyl)phenyl]-N-[2-fluoro-4-(2-methanesulfonylphenyl)phenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide::CHEMBL559015::DPC 423::DPC423

SMILES CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2cccc(CN)c2)C(F)(F)F)c(F)c1

InChI Key InChIKey=ZLUOAFAJSUPHOG-UHFFFAOYSA-N

Data  36 KI  4 IC50

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 40 hits for monomerid = 12657   

TargetCoagulation factor X(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM12657(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Affinity DataKi:  0.150nMAssay Description:Inhibition of human factor 10aMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB
PDB3D3D Structure (crystal)

TargetCoagulation factor X(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM12657(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Affinity DataKi:  0.150nMAssay Description:Binding affinity to human FXa assessed as inhibition constantMore data for this Ligand-Target Pair
In DepthDetails PubMedMMDB
PDB3D3D Structure (crystal)

TargetCoagulation factor X(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM12657(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Affinity DataKi:  0.150nM ΔG°:  -13.3kcal/molepH: 7.0 T: 22°CAssay 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...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB
PDB3D3D Structure (crystal)

TargetCoagulation factor X(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM12657(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Affinity DataKi:  0.150nMAssay Description:Inhibition of factor 10aMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB
PDB3D3D Structure (crystal)

TargetCoagulation factor X(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM12657(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Affinity DataKi:  0.150nMAssay Description:Tested in vitro for inhibition of human Coagulation factor XMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB
PDB3D3D Structure (crystal)

TargetCoagulation factor X(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM12657(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Affinity DataKi:  0.300nMAssay Description:In vitro activity against rabbit factor XaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB
PDB3D3D Structure (crystal)

TargetCoagulation factor X(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM12657(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Affinity DataKi:  0.300nMAssay Description:Tested in vitro for inhibition of rabbit Coagulation factor XMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB
PDB3D3D Structure (crystal)

TargetCoagulation factor X(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM12657(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Affinity DataKi:  0.300nM ΔG°:  -12.9kcal/molepH: 7.0 T: 22°CAssay 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...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB
PDB3D3D Structure (crystal)

TargetSerine protease 1(Bovine)
Bristol-Myers Squibb Pharmaceutical Research Institute

LigandPNGBDBM12657(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Affinity DataKi:  60nMAssay 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...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetSerine protease 1/Trypsin-2(Human)
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM12657(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Affinity DataKi:  60nMAssay Description:In vitro activity against human trypsin.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetSerine protease 1(Human)
Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM12657(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Affinity DataKi:  60nMAssay Description:Tested in vitro for inhibition of human trypsinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetPlasma kallikrein(Human)
Bristol-Myers Squibb Pharmaceutical Research Institute

LigandPNGBDBM12657(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Affinity DataKi:  61nMAssay 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...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetPlasma kallikrein(Human)
Bristol-Myers Squibb Pharmaceutical Research Institute

LigandPNGBDBM12657(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Affinity DataKi:  61nMAssay Description:In vitro activity against human Plasma kallikrein.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetPlasma kallikrein(Human)
Bristol-Myers Squibb Pharmaceutical Research Institute

LigandPNGBDBM12657(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Affinity DataKi:  61nMAssay Description:Tested in vitro for inhibition of human plasma KallikrieneMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCoagulation factor X(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM12657(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Affinity DataKi:  150nMAssay Description:Binding affinity against human coagulation factor XMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB
PDB3D3D Structure (crystal)

TargetVitamin K-dependent protein C(Human)
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM12657(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Affinity DataKi:  1.80E+3nMAssay Description:In vitro activity against human Activated protein CMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetVitamin K-dependent protein C(Human)
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM12657(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Affinity DataKi:  1.80E+3nMAssay Description:Tested in vitro for inhibition of human activated protein CMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCoagulation factor IX(Human)
Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM12657(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Affinity DataKi:  2.20E+3nMAssay Description:Tested in vitro for inhibition of human Coagulation factor IXMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCoagulation factor IX(Human)
Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM12657(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Affinity DataKi:  2.20E+3nMAssay 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...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCoagulation factor IX(Human)
Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM12657(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Affinity DataKi:  2.20E+3nMAssay Description:In vitro activity against human factor IXaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetProthrombin(Human)
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM12657(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Affinity DataKi:  6.00E+3nMAssay Description:In vitro activity against human thrombin.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetProthrombin(Human)
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM12657(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Affinity DataKi:  6.00E+3nMAssay Description:Inhibition of human factor 2aMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetProthrombin(Human)
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM12657(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Affinity DataKi:  6.00E+3nMAssay 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...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetProthrombin(Human)
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM12657(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Affinity DataKi:  6.00E+3nMAssay Description:Inhibition of thrombinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetProthrombin(Human)
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM12657(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Affinity DataKi:  6.00E+3nMAssay Description:In vitro for inhibition of human thrombinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCoagulation factor VII(Human)
Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM12657(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Affinity DataKi: >1.50E+4nMAssay Description:Tested in vitro for inhibition of human Coagulation factor VIIMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCoagulation factor VII(Human)
Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM12657(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Affinity DataKi: >1.50E+4nMAssay 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...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCoagulation factor VII(Human)
Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM12657(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Affinity DataKi: >1.50E+4nMAssay Description:The compound was tested for inhibition of human coagulation factor VIIMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetChymotrypsinogen B(Human)
Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM12657(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Affinity DataKi: >1.70E+4nMAssay Description:Tested in vitro for inhibition of human ChymotrypsinogenMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetChymotrypsinogen B(Human)
Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM12657(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Affinity DataKi: >1.70E+4nMAssay Description:In vitro activity against human Chymotrypsinogen B1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetUrokinase-type plasminogen activator(Human)
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM12657(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Affinity DataKi: >1.90E+4nMAssay Description:In vitro activity against human urokinaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetUrokinase-type plasminogen activator(Human)
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM12657(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Affinity DataKi: >1.90E+4nMAssay Description:Tested in vitro for inhibition of human Urokinase-type plasminogen activatorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetPlasminogen(Human)
Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM12657(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Affinity DataKi: >3.50E+4nMAssay Description:Tested in vitro for inhibition of human plasminMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetPlasminogen(Human)
Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM12657(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Affinity DataKi: >3.50E+4nMAssay Description:In vitro activity against human plasminMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetTissue-type plasminogen activator(Human)
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM12657(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Affinity DataKi: >4.50E+4nMAssay Description:In vitro activity against human tissue plasminogen activatorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetTissue-type plasminogen activator(Human)
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM12657(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Affinity DataKi: >4.50E+4nMAssay Description:Tested in vitro for inhibition of human Tissue type plasminogen activatorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetProthrombin(Human)
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM12657(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of human Thrombin using S-2222 chromogenic substrate assessed as hydrolysis by microplate readerMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetTrypsin(Human)
Astellas Pharma

Curated by ChEMBL
LigandPNGBDBM12657(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of human Trypsin using S-2238 chromogenic substrate assessed as hydrolysis by microplate readerMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetComplement factor H(Human)
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM12657(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Affinity DataIC50:  4.40E+4nMAssay Description:In vitro activity against human Complement factor IMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetCoagulation factor X(Human)
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM12657(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Affinity DataIC50:  2.40nMAssay Description:Inhibition of human factor 10a using S-2222 chromogenic substrate assessed as hydrolysis by microplate readerMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB
PDB3D3D Structure (crystal)