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BDBM50098859 2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-1-yl]-N-[1-benzyl-2-(5-hydroxy-benzooxazol-2-yl)-2-oxo-ethyl]-acetamide::CHEMBL432467

SMILES: Nc1cnc(-c2ccc(F)cc2)n(CC(=O)NC(Cc2ccccc2)C(=O)c2nc3cc(O)ccc3o2)c1=O

InChI Key: InChIKey=LVSNEVGOBCJYBF-UHFFFAOYNA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50098859   
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
Chymase


(Homo sapiens (Human))
BDBM50098859
PNG
(2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-...)
Show SMILES Nc1cnc(-c2ccc(F)cc2)n(CC(=O)NC(Cc2ccccc2)C(=O)c2nc3cc(O)ccc3o2)c1=O
Show InChI InChI=1/C28H22FN5O5/c29-18-8-6-17(7-9-18)26-31-14-20(30)28(38)34(26)15-24(36)32-22(12-16-4-2-1-3-5-16)25(37)27-33-21-13-19(35)10-11-23(21)39-27/h1-11,13-14,22,35H,12,15,30H2,(H,32,36)
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PC cid
PC sid
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Article
PubMed
2.12E+3n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity evaluated against chymase from human heart.


J Med Chem 44: 1286-96 (2001)


Article DOI: 10.1021/jm000496v
BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50098859
PNG
(2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-...)
Show SMILES Nc1cnc(-c2ccc(F)cc2)n(CC(=O)NC(Cc2ccccc2)C(=O)c2nc3cc(O)ccc3o2)c1=O
Show InChI InChI=1/C28H22FN5O5/c29-18-8-6-17(7-9-18)26-31-14-20(30)28(38)34(26)15-24(36)32-22(12-16-4-2-1-3-5-16)25(37)27-33-21-13-19(35)10-11-23(21)39-27/h1-11,13-14,22,35H,12,15,30H2,(H,32,36)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.23E+3n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha chymotrypsin from bovine pancreas.


J Med Chem 44: 1286-96 (2001)


Article DOI: 10.1021/jm000496v
BindingDB Entry DOI: 10.7270/Q26H4J4K
More data for this
Ligand-Target Pair