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BDBM50098839 2-{2-[2-(5-Amino-6-oxo-2-pyridin-3-yl-6H-pyrimidin-1-yl)-acetylamino]-3-phenyl-propionyl}-benzooxazole-5-carboxylic acid methyl ester::CHEMBL24647

SMILES: COC(=O)c1ccc2oc(nc2c1)C(=O)C(Cc1ccccc1)NC(=O)Cn1c(ncc(N)c1=O)-c1cccnc1

InChI Key: InChIKey=LFOPCPCAHKTADE-UHFFFAOYSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50098839   
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
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50098839
PNG
(2-{2-[2-(5-Amino-6-oxo-2-pyridin-3-yl-6H-pyrimidin...)
Show SMILES COC(=O)c1ccc2oc(nc2c1)C(=O)C(Cc1ccccc1)NC(=O)Cn1c(ncc(N)c1=O)-c1cccnc1
Show InChI InChI=1S/C29H24N6O6/c1-40-29(39)18-9-10-23-21(13-18)34-27(41-23)25(37)22(12-17-6-3-2-4-7-17)33-24(36)16-35-26(19-8-5-11-31-14-19)32-15-20(30)28(35)38/h2-11,13-15,22H,12,16,30H2,1H3,(H,33,36)
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PC cid
PC sid
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Article
PubMed
45.1n/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
Chymase


(Homo sapiens (Human))
BDBM50098839
PNG
(2-{2-[2-(5-Amino-6-oxo-2-pyridin-3-yl-6H-pyrimidin...)
Show SMILES COC(=O)c1ccc2oc(nc2c1)C(=O)C(Cc1ccccc1)NC(=O)Cn1c(ncc(N)c1=O)-c1cccnc1
Show InChI InChI=1S/C29H24N6O6/c1-40-29(39)18-9-10-23-21(13-18)34-27(41-23)25(37)22(12-17-6-3-2-4-7-17)33-24(36)16-35-26(19-8-5-11-31-14-19)32-15-20(30)28(35)38/h2-11,13-15,22H,12,16,30H2,1H3,(H,33,36)
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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
77.4n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
inhibitory activity was 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