new BindingDB logo
myBDB logout

BDBM50111716 CHEMBL19798::N-(4-Carbamimidoyl-thiazol-2-ylmethyl)-2-[3-(3-methoxy-benzenesulfonylamino)-2-oxo-2H-pyridin-1-yl]-acetamide

SMILES: COc1cccc(c1)S(=O)(=O)Nc1cccn(CC(=O)NCc2nc(cs2)C(N)=N)c1=O

InChI Key: InChIKey=KFRIMCWQVDNABD-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 = 50111716   
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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50111716
PNG
(CHEMBL19798 | N-(4-Carbamimidoyl-thiazol-2-ylmethy...)
Show SMILES COc1cccc(c1)S(=O)(=O)Nc1cccn(CC(=O)NCc2nc(cs2)C(N)=N)c1=O
Show InChI InChI=1S/C19H20N6O5S2/c1-30-12-4-2-5-13(8-12)32(28,29)24-14-6-3-7-25(19(14)27)10-16(26)22-9-17-23-15(11-31-17)18(20)21/h2-8,11,24H,9-10H2,1H3,(H3,20,21)(H,22,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
5.90n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against human thrombin (FIIa).


Bioorg Med Chem Lett 12: 1203-8 (2002)


BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50111716
PNG
(CHEMBL19798 | N-(4-Carbamimidoyl-thiazol-2-ylmethy...)
Show SMILES COc1cccc(c1)S(=O)(=O)Nc1cccn(CC(=O)NCc2nc(cs2)C(N)=N)c1=O
Show InChI InChI=1S/C19H20N6O5S2/c1-30-12-4-2-5-13(8-12)32(28,29)24-14-6-3-7-25(19(14)27)10-16(26)22-9-17-23-15(11-31-17)18(20)21/h2-8,11,24H,9-10H2,1H3,(H3,20,21)(H,22,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>168n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against trypsin


Bioorg Med Chem Lett 12: 1203-8 (2002)


BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50111716
PNG
(CHEMBL19798 | N-(4-Carbamimidoyl-thiazol-2-ylmethy...)
Show SMILES COc1cccc(c1)S(=O)(=O)Nc1cccn(CC(=O)NCc2nc(cs2)C(N)=N)c1=O
Show InChI InChI=1S/C19H20N6O5S2/c1-30-12-4-2-5-13(8-12)32(28,29)24-14-6-3-7-25(19(14)27)10-16(26)22-9-17-23-15(11-31-17)18(20)21/h2-8,11,24H,9-10H2,1H3,(H3,20,21)(H,22,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
179n/an/an/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory constant against factor Xa (FXa) was tested


Bioorg Med Chem Lett 12: 1203-8 (2002)


BindingDB Entry DOI: 10.7270/Q2PK0FGB
More data for this
Ligand-Target Pair