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BDBM50081506 3-[(S)-3-(7-Chloro-thieno[2,3-c]pyridine-2-sulfonylamino)-2-oxo-pyrrolidin-1-ylmethyl]-4-hydroxy-benzamidine::CHEMBL93151

SMILES: NC(=N)c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3cc4ccnc(Cl)c4s3)C2=O)c1

InChI Key: InChIKey=QWKBVYMYRJYVKE-ZDUSSCGKSA-N

Data: 6 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 6 hits for monomerid = 50081506   
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))
BDBM50081506
PNG
(3-[(S)-3-(7-Chloro-thieno[2,3-c]pyridine-2-sulfony...)
Show SMILES NC(=N)c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3cc4ccnc(Cl)c4s3)C2=O)c1
Show InChI InChI=1S/C19H18ClN5O4S2/c20-17-16-10(3-5-23-17)8-15(30-16)31(28,29)24-13-4-6-25(19(13)27)9-12-7-11(18(21)22)1-2-14(12)26/h1-3,5,7-8,13,24,26H,4,6,9H2,(H3,21,22)/t13-/m0/s1
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5n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Binding affinity against serine protease factor Xa (fXa)


Bioorg Med Chem Lett 9: 2753-8 (1999)


BindingDB Entry DOI: 10.7270/Q2W66K02
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50081506
PNG
(3-[(S)-3-(7-Chloro-thieno[2,3-c]pyridine-2-sulfony...)
Show SMILES NC(=N)c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3cc4ccnc(Cl)c4s3)C2=O)c1
Show InChI InChI=1S/C19H18ClN5O4S2/c20-17-16-10(3-5-23-17)8-15(30-16)31(28,29)24-13-4-6-25(19(13)27)9-12-7-11(18(21)22)1-2-14(12)26/h1-3,5,7-8,13,24,26H,4,6,9H2,(H3,21,22)/t13-/m0/s1
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2.60E+3n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Binding affinity against thrombin


Bioorg Med Chem Lett 9: 2753-8 (1999)


BindingDB Entry DOI: 10.7270/Q2W66K02
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50081506
PNG
(3-[(S)-3-(7-Chloro-thieno[2,3-c]pyridine-2-sulfony...)
Show SMILES NC(=N)c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3cc4ccnc(Cl)c4s3)C2=O)c1
Show InChI InChI=1S/C19H18ClN5O4S2/c20-17-16-10(3-5-23-17)8-15(30-16)31(28,29)24-13-4-6-25(19(13)27)9-12-7-11(18(21)22)1-2-14(12)26/h1-3,5,7-8,13,24,26H,4,6,9H2,(H3,21,22)/t13-/m0/s1
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>2.90E+3n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Binding affinity against trypsin


Bioorg Med Chem Lett 9: 2753-8 (1999)


BindingDB Entry DOI: 10.7270/Q2W66K02
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50081506
PNG
(3-[(S)-3-(7-Chloro-thieno[2,3-c]pyridine-2-sulfony...)
Show SMILES NC(=N)c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3cc4ccnc(Cl)c4s3)C2=O)c1
Show InChI InChI=1S/C19H18ClN5O4S2/c20-17-16-10(3-5-23-17)8-15(30-16)31(28,29)24-13-4-6-25(19(13)27)9-12-7-11(18(21)22)1-2-14(12)26/h1-3,5,7-8,13,24,26H,4,6,9H2,(H3,21,22)/t13-/m0/s1
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5.50E+3n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Binding affinity against activated protein C (APC)


Bioorg Med Chem Lett 9: 2753-8 (1999)


BindingDB Entry DOI: 10.7270/Q2W66K02
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50081506
PNG
(3-[(S)-3-(7-Chloro-thieno[2,3-c]pyridine-2-sulfony...)
Show SMILES NC(=N)c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3cc4ccnc(Cl)c4s3)C2=O)c1
Show InChI InChI=1S/C19H18ClN5O4S2/c20-17-16-10(3-5-23-17)8-15(30-16)31(28,29)24-13-4-6-25(19(13)27)9-12-7-11(18(21)22)1-2-14(12)26/h1-3,5,7-8,13,24,26H,4,6,9H2,(H3,21,22)/t13-/m0/s1
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7.30E+3n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Binding affinity against plasmin


Bioorg Med Chem Lett 9: 2753-8 (1999)


BindingDB Entry DOI: 10.7270/Q2W66K02
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50081506
PNG
(3-[(S)-3-(7-Chloro-thieno[2,3-c]pyridine-2-sulfony...)
Show SMILES NC(=N)c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3cc4ccnc(Cl)c4s3)C2=O)c1
Show InChI InChI=1S/C19H18ClN5O4S2/c20-17-16-10(3-5-23-17)8-15(30-16)31(28,29)24-13-4-6-25(19(13)27)9-12-7-11(18(21)22)1-2-14(12)26/h1-3,5,7-8,13,24,26H,4,6,9H2,(H3,21,22)/t13-/m0/s1
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7.50E+3n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Binding affinity against tissue plasminogen activator (t-Pa)


Bioorg Med Chem Lett 9: 2753-8 (1999)


BindingDB Entry DOI: 10.7270/Q2W66K02
More data for this
Ligand-Target Pair