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BDBM50098861 2-(2-{2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-1-yl]-acetylamino}-3-phenyl-propionyl)-benzooxazole-5-carboxylic acid ethyl ester::CHEMBL290574

SMILES: CCOC(=O)c1ccc2oc(nc2c1)C(=O)C(Cc1ccccc1)NC(=O)Cn1c(ncc(N)c1=O)-c1ccc(F)cc1

InChI Key: InChIKey=GAWJSQPTHATQCK-UHFFFAOYNA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50098861   
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))
BDBM50098861
PNG
(2-(2-{2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyri...)
Show SMILES CCOC(=O)c1ccc2oc(nc2c1)C(=O)C(Cc1ccccc1)NC(=O)Cn1c(ncc(N)c1=O)-c1ccc(F)cc1
Show InChI InChI=1/C31H26FN5O6/c1-2-42-31(41)20-10-13-25-23(15-20)36-29(43-25)27(39)24(14-18-6-4-3-5-7-18)35-26(38)17-37-28(34-16-22(33)30(37)40)19-8-11-21(32)12-9-19/h3-13,15-16,24H,2,14,17,33H2,1H3,(H,35,38)
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PC cid
PC sid
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Similars

Article
PubMed
30n/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))
BDBM50098861
PNG
(2-(2-{2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyri...)
Show SMILES CCOC(=O)c1ccc2oc(nc2c1)C(=O)C(Cc1ccccc1)NC(=O)Cn1c(ncc(N)c1=O)-c1ccc(F)cc1
Show InChI InChI=1/C31H26FN5O6/c1-2-42-31(41)20-10-13-25-23(15-20)36-29(43-25)27(39)24(14-18-6-4-3-5-7-18)35-26(38)17-37-28(34-16-22(33)30(37)40)19-8-11-21(32)12-9-19/h3-13,15-16,24H,2,14,17,33H2,1H3,(H,35,38)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
477n/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