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BDBM50097623 3'-Carbamimidoyl-biphenyl-2-carboxylic acid (2'-sulfamoyl-biphenyl-4-yl)-amide; TFA::CHEMBL160515

SMILES: NC(=N)c1cccc(c1)-c1ccccc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O

InChI Key: InChIKey=PBSYGEULOOMNDK-UHFFFAOYSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50097623   
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))
BDBM50097623
PNG
(3'-Carbamimidoyl-biphenyl-2-carboxylic acid (2'-su...)
Show SMILES NC(=N)c1cccc(c1)-c1ccccc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C26H22N4O3S/c27-25(28)19-7-5-6-18(16-19)21-8-1-2-10-23(21)26(31)30-20-14-12-17(13-15-20)22-9-3-4-11-24(22)34(29,32)33/h1-16H,(H3,27,28)(H,30,31)(H2,29,32,33)
PDB
MMDB

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DrugBank
antibodypedia
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PC cid
PC sid
UniChem
PubMed
8.20n/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))
BDBM50097623
PNG
(3'-Carbamimidoyl-biphenyl-2-carboxylic acid (2'-su...)
Show SMILES NC(=N)c1cccc(c1)-c1ccccc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C26H22N4O3S/c27-25(28)19-7-5-6-18(16-19)21-8-1-2-10-23(21)26(31)30-20-14-12-17(13-15-20)22-9-3-4-11-24(22)34(29,32)33/h1-16H,(H3,27,28)(H,30,31)(H2,29,32,33)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
780n/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))
BDBM50097623
PNG
(3'-Carbamimidoyl-biphenyl-2-carboxylic acid (2'-su...)
Show SMILES NC(=N)c1cccc(c1)-c1ccccc1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C26H22N4O3S/c27-25(28)19-7-5-6-18(16-19)21-8-1-2-10-23(21)26(31)30-20-14-12-17(13-15-20)22-9-3-4-11-24(22)34(29,32)33/h1-16H,(H3,27,28)(H,30,31)(H2,29,32,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>6.30E+3n/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