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SMILES: NC(=[NH2+])c1cc2cccnc2s1

InChI Key: InChIKey=GZEJMYFXZMUAEC-UHFFFAOYSA-O

PDB links: 3 PDB IDs match 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 6 hits for monomerid = 14171   
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
Tryptase beta-2


(Homo sapiens (Human))
BDBM14171
PNG
(APC-7538 | Thieno[2,3-b]pyridine-2-carboxamidine |...)
Show SMILES NC(=[NH2+])c1cc2cccnc2s1
Show InChI InChI=1S/C8H7N3S/c9-7(10)6-4-5-2-1-3-11-8(5)12-6/h1-4H,(H3,9,10)/p+1
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3.40E+4 -6.03n/an/an/an/an/a7.422



Axys Pharmaceutical



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


Chem Biol 7: 299-312 (2000)


Article DOI: 10.1016/S1074-5521(00)00104-6
BindingDB Entry DOI: 10.7270/Q2NG4NWC
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM14171
PNG
(APC-7538 | Thieno[2,3-b]pyridine-2-carboxamidine |...)
Show SMILES NC(=[NH2+])c1cc2cccnc2s1
Show InChI InChI=1S/C8H7N3S/c9-7(10)6-4-5-2-1-3-11-8(5)12-6/h1-4H,(H3,9,10)/p+1
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6.30E+4 -5.67n/an/an/an/an/a7.422



Axys Pharmaceutical



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


Chem Biol 7: 299-312 (2000)


Article DOI: 10.1016/S1074-5521(00)00104-6
BindingDB Entry DOI: 10.7270/Q2NG4NWC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine protease 1


(Bos taurus (bovine))
BDBM14171
PNG
(APC-7538 | Thieno[2,3-b]pyridine-2-carboxamidine |...)
Show SMILES NC(=[NH2+])c1cc2cccnc2s1
Show InChI InChI=1S/C8H7N3S/c9-7(10)6-4-5-2-1-3-11-8(5)12-6/h1-4H,(H3,9,10)/p+1
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8.00E+4 -5.53n/an/an/an/an/a7.422



Axys Pharmaceutical



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


Chem Biol 7: 299-312 (2000)


Article DOI: 10.1016/S1074-5521(00)00104-6
BindingDB Entry DOI: 10.7270/Q2NG4NWC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM14171
PNG
(APC-7538 | Thieno[2,3-b]pyridine-2-carboxamidine |...)
Show SMILES NC(=[NH2+])c1cc2cccnc2s1
Show InChI InChI=1S/C8H7N3S/c9-7(10)6-4-5-2-1-3-11-8(5)12-6/h1-4H,(H3,9,10)/p+1
PDB
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3.60E+5 -4.65n/an/an/an/an/a7.422



Axys Pharmaceutical



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


Chem Biol 7: 299-312 (2000)


Article DOI: 10.1016/S1074-5521(00)00104-6
BindingDB Entry DOI: 10.7270/Q2NG4NWC
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM14171
PNG
(APC-7538 | Thieno[2,3-b]pyridine-2-carboxamidine |...)
Show SMILES NC(=[NH2+])c1cc2cccnc2s1
Show InChI InChI=1S/C8H7N3S/c9-7(10)6-4-5-2-1-3-11-8(5)12-6/h1-4H,(H3,9,10)/p+1
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
PDB
UniChem
Article
PubMed
1.60E+6 -3.77n/an/an/an/an/a7.422



Axys Pharmaceutical



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


Chem Biol 7: 299-312 (2000)


Article DOI: 10.1016/S1074-5521(00)00104-6
BindingDB Entry DOI: 10.7270/Q2NG4NWC
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM14171
PNG
(APC-7538 | Thieno[2,3-b]pyridine-2-carboxamidine |...)
Show SMILES NC(=[NH2+])c1cc2cccnc2s1
Show InChI InChI=1S/C8H7N3S/c9-7(10)6-4-5-2-1-3-11-8(5)12-6/h1-4H,(H3,9,10)/p+1
PDB
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Article
PubMed
1.80E+6 -3.70n/an/an/an/an/a7.422



Axys Pharmaceutical



Assay Description
Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...


Chem Biol 7: 299-312 (2000)


Article DOI: 10.1016/S1074-5521(00)00104-6
BindingDB Entry DOI: 10.7270/Q2NG4NWC
More data for this
Ligand-Target Pair