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BDBM50069194 CHEMBL355441::N-(6-Amino-pyridin-3-ylmethyl)-2-(6-methyl-2-oxo-3-phenylmethanesulfonylamino-2H-pyridin-1-yl)-acetamide

SMILES: Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccc(N)nc1

InChI Key: InChIKey=ZIKXKQMAXTVOAG-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 = 50069194   
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))
BDBM50069194
PNG
(CHEMBL355441 | N-(6-Amino-pyridin-3-ylmethyl)-2-(6...)
Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccc(N)nc1
Show InChI InChI=1S/C21H23N5O4S/c1-15-7-9-18(25-31(29,30)14-16-5-3-2-4-6-16)21(28)26(15)13-20(27)24-12-17-8-10-19(22)23-11-17/h2-11,25H,12-14H2,1H3,(H2,22,23)(H,24,27)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
11n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards thrombin was evaluated


Bioorg Med Chem Lett 8: 817-22 (1999)


Article DOI: 10.1016/s0960-894x(98)00117-6
BindingDB Entry DOI: 10.7270/Q2JH3K9Z
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50069194
PNG
(CHEMBL355441 | N-(6-Amino-pyridin-3-ylmethyl)-2-(6...)
Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccc(N)nc1
Show InChI InChI=1S/C21H23N5O4S/c1-15-7-9-18(25-31(29,30)14-16-5-3-2-4-6-16)21(28)26(15)13-20(27)24-12-17-8-10-19(22)23-11-17/h2-11,25H,12-14H2,1H3,(H2,22,23)(H,24,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.00E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards trypsin was evaluated


Bioorg Med Chem Lett 8: 817-22 (1999)


Article DOI: 10.1016/s0960-894x(98)00117-6
BindingDB Entry DOI: 10.7270/Q2JH3K9Z
More data for this
Ligand-Target Pair