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BDBM50097629 5-(3-Carbamimidoyl-phenyl)-2-methyl-1H-imidazole-4-carboxylic acid (2'-sulfamoyl-biphenyl-4-yl)-amide; TFA::CHEMBL159204

SMILES: Cc1nc(c([nH]1)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)-c1cccc(c1)C(N)=N

InChI Key: InChIKey=VLCAFAQOJLDAAP-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50097629   
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))
BDBM50097629
PNG
(5-(3-Carbamimidoyl-phenyl)-2-methyl-1H-imidazole-4...)
Show SMILES Cc1nc(c([nH]1)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)-c1cccc(c1)C(N)=N
Show InChI InChI=1S/C24H22N6O3S/c1-14-28-21(16-5-4-6-17(13-16)23(25)26)22(29-14)24(31)30-18-11-9-15(10-12-18)19-7-2-3-8-20(19)34(27,32)33/h2-13H,1H3,(H3,25,26)(H,28,29)(H,30,31)(H2,27,32,33)
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PC sid
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PubMed
6n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity towards human Serine protease FXa


Bioorg Med Chem Lett 11: 641-5 (2001)


BindingDB Entry DOI: 10.7270/Q2RV0MZ2
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))
BDBM50097629
PNG
(5-(3-Carbamimidoyl-phenyl)-2-methyl-1H-imidazole-4...)
Show SMILES Cc1nc(c([nH]1)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)-c1cccc(c1)C(N)=N
Show InChI InChI=1S/C24H22N6O3S/c1-14-28-21(16-5-4-6-17(13-16)23(25)26)22(29-14)24(31)30-18-11-9-15(10-12-18)19-7-2-3-8-20(19)34(27,32)33/h2-13H,1H3,(H3,25,26)(H,28,29)(H,30,31)(H2,27,32,33)
PDB

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antibodypedia
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PC sid
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PubMed
1.10E+3n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity towards human trypsin


Bioorg Med Chem Lett 11: 641-5 (2001)


BindingDB Entry DOI: 10.7270/Q2RV0MZ2
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50097629
PNG
(5-(3-Carbamimidoyl-phenyl)-2-methyl-1H-imidazole-4...)
Show SMILES Cc1nc(c([nH]1)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)-c1cccc(c1)C(N)=N
Show InChI InChI=1S/C24H22N6O3S/c1-14-28-21(16-5-4-6-17(13-16)23(25)26)22(29-14)24(31)30-18-11-9-15(10-12-18)19-7-2-3-8-20(19)34(27,32)33/h2-13H,1H3,(H3,25,26)(H,28,29)(H,30,31)(H2,27,32,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
>2.10E+4n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity towards human thrombin


Bioorg Med Chem Lett 11: 641-5 (2001)


BindingDB Entry DOI: 10.7270/Q2RV0MZ2
More data for this
Ligand-Target Pair