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BDBM50088654 CHEMBL273861::N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-(6-methyl-2,8-dioxo-2,3,4,8-tetrahydro-1H-[1,7]naphthyridin-7-yl)-acetamide

SMILES: Cc1cc2CCC(=O)Nc2c(=O)n1CC(=O)NCc1ccc(N)nc1C

InChI Key: InChIKey=GZLSRIOJUOYOBV-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50088654   
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
Prothrombin


(Homo sapiens (Human))
BDBM50088654
PNG
(CHEMBL273861 | N-(6-Amino-2-methyl-pyridin-3-ylmet...)
Show SMILES Cc1cc2CCC(=O)Nc2c(=O)n1CC(=O)NCc1ccc(N)nc1C
Show InChI InChI=1S/C18H21N5O3/c1-10-7-12-4-6-15(24)22-17(12)18(26)23(10)9-16(25)20-8-13-3-5-14(19)21-11(13)2/h3,5,7H,4,6,8-9H2,1-2H3,(H2,19,21)(H,20,25)(H,22,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
350n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
The compound was tested for its ability to inhibit thrombin.


Bioorg Med Chem Lett 10: 1069-72 (2000)


BindingDB Entry DOI: 10.7270/Q2DZ07J2
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50088654
PNG
(CHEMBL273861 | N-(6-Amino-2-methyl-pyridin-3-ylmet...)
Show SMILES Cc1cc2CCC(=O)Nc2c(=O)n1CC(=O)NCc1ccc(N)nc1C
Show InChI InChI=1S/C18H21N5O3/c1-10-7-12-4-6-15(24)22-17(12)18(26)23(10)9-16(25)20-8-13-3-5-14(19)21-11(13)2/h3,5,7H,4,6,8-9H2,1-2H3,(H2,19,21)(H,20,25)(H,22,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

PubMed
1.01E+5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
The compound was tested for its ability to inhibit trypsin.


Bioorg Med Chem Lett 10: 1069-72 (2000)


BindingDB Entry DOI: 10.7270/Q2DZ07J2
More data for this
Ligand-Target Pair