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BDBM50111724 CHEMBL19731::N-(4-Carbamimidoyl-benzyl)-2-(6-methyl-2-oxo-3-phenylmethanesulfonylamino-2H-pyridin-1-yl)-acetamide

SMILES: Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccc(cc1)C(N)=N

InChI Key: InChIKey=UDNGFKCTOSJRRK-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50111724   
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))
BDBM50111724
PNG
(CHEMBL19731 | N-(4-Carbamimidoyl-benzyl)-2-(6-meth...)
Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C23H25N5O4S/c1-16-7-12-20(27-33(31,32)15-18-5-3-2-4-6-18)23(30)28(16)14-21(29)26-13-17-8-10-19(11-9-17)22(24)25/h2-12,27H,13-15H2,1H3,(H3,24,25)(H,26,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
0.370n/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))
BDBM50111724
PNG
(CHEMBL19731 | N-(4-Carbamimidoyl-benzyl)-2-(6-meth...)
Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C23H25N5O4S/c1-16-7-12-20(27-33(31,32)15-18-5-3-2-4-6-18)23(30)28(16)14-21(29)26-13-17-8-10-19(11-9-17)22(24)25/h2-12,27H,13-15H2,1H3,(H3,24,25)(H,26,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
49n/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