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BDBM50098844 2-(2-{2-[5-Amino-2-(3-chloro-phenyl)-6-oxo-6H-pyrimidin-1-yl]-acetylamino}-3-phenyl-propionyl)-benzooxazole-5-carboxylic acid methyl ester::CHEMBL25830

SMILES: COC(=O)c1ccc2oc(nc2c1)C(=O)C(Cc1ccccc1)NC(=O)Cn1c(ncc(N)c1=O)-c1cccc(Cl)c1

InChI Key: InChIKey=CKBHZFRJHJCCDC-UHFFFAOYSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50098844   
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))
BDBM50098844
PNG
(2-(2-{2-[5-Amino-2-(3-chloro-phenyl)-6-oxo-6H-pyri...)
Show SMILES COC(=O)c1ccc2oc(nc2c1)C(=O)C(Cc1ccccc1)NC(=O)Cn1c(ncc(N)c1=O)-c1cccc(Cl)c1
Show InChI InChI=1S/C30H24ClN5O6/c1-41-30(40)19-10-11-24-22(14-19)35-28(42-24)26(38)23(12-17-6-3-2-4-7-17)34-25(37)16-36-27(33-15-21(32)29(36)39)18-8-5-9-20(31)13-18/h2-11,13-15,23H,12,16,32H2,1H3,(H,34,37)
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PC cid
PC sid
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Similars

Article
PubMed
26.1n/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))
BDBM50098844
PNG
(2-(2-{2-[5-Amino-2-(3-chloro-phenyl)-6-oxo-6H-pyri...)
Show SMILES COC(=O)c1ccc2oc(nc2c1)C(=O)C(Cc1ccccc1)NC(=O)Cn1c(ncc(N)c1=O)-c1cccc(Cl)c1
Show InChI InChI=1S/C30H24ClN5O6/c1-41-30(40)19-10-11-24-22(14-19)35-28(42-24)26(38)23(12-17-6-3-2-4-7-17)34-25(37)16-36-27(33-15-21(32)29(36)39)18-8-5-9-20(31)13-18/h2-11,13-15,23H,12,16,32H2,1H3,(H,34,37)
PDB
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Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
3.82E+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