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BDBM50070825 CHEMBL49457::N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-[3-(4-chloro-phenylmethanesulfonylamino)-6-cyclopropyl-2-oxo-2H-pyridin-1-yl]-acetamide

SMILES: Cc1nc(N)ccc1CNC(=O)Cn1c(ccc(NS(=O)(=O)Cc2ccc(Cl)cc2)c1=O)C1CC1

InChI Key: InChIKey=CFLWQDYWSOLXMN-UHFFFAOYSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50070825   
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))
BDBM50070825
PNG
(CHEMBL49457 | N-(6-Amino-2-methyl-pyridin-3-ylmeth...)
Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1c(ccc(NS(=O)(=O)Cc2ccc(Cl)cc2)c1=O)C1CC1
Show InChI InChI=1S/C24H26ClN5O4S/c1-15-18(6-11-22(26)28-15)12-27-23(31)13-30-21(17-4-5-17)10-9-20(24(30)32)29-35(33,34)14-16-2-7-19(25)8-3-16/h2-3,6-11,17,29H,4-5,12-14H2,1H3,(H2,26,28)(H,27,31)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated to inhibit the thrombin enzyme


Bioorg Med Chem Lett 8: 1719-24 (1999)


Article DOI: 10.1016/s0960-894x(98)00297-2
BindingDB Entry DOI: 10.7270/Q2319V13
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50070825
PNG
(CHEMBL49457 | N-(6-Amino-2-methyl-pyridin-3-ylmeth...)
Show SMILES Cc1nc(N)ccc1CNC(=O)Cn1c(ccc(NS(=O)(=O)Cc2ccc(Cl)cc2)c1=O)C1CC1
Show InChI InChI=1S/C24H26ClN5O4S/c1-15-18(6-11-22(26)28-15)12-27-23(31)13-30-21(17-4-5-17)10-9-20(24(30)32)29-35(33,34)14-16-2-7-19(25)8-3-16/h2-3,6-11,17,29H,4-5,12-14H2,1H3,(H2,26,28)(H,27,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.90E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated to inhibit the trypsin enzyme


Bioorg Med Chem Lett 8: 1719-24 (1999)


Article DOI: 10.1016/s0960-894x(98)00297-2
BindingDB Entry DOI: 10.7270/Q2319V13
More data for this
Ligand-Target Pair