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BDBM50098874 4-{2-[5-Amino-2-(3-chloro-phenyl)-6-oxo-6H-pyrimidin-1-yl]-acetylamino}-2,2-difluoro-3-oxo-5-phenyl-pentanoic acid benzylamide::CHEMBL24734

SMILES: Nc1cnc(-c2cccc(Cl)c2)n(CC(=O)NC(Cc2ccccc2)C(=O)C(F)(F)C(=O)NCc2ccccc2)c1=O

InChI Key: InChIKey=NUNGDKUJSAHDEV-UHFFFAOYSA-N

Data: 6 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50098874   
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))
BDBM50098874
PNG
(4-{2-[5-Amino-2-(3-chloro-phenyl)-6-oxo-6H-pyrimid...)
Show SMILES Nc1cnc(-c2cccc(Cl)c2)n(CC(=O)NC(Cc2ccccc2)C(=O)C(F)(F)C(=O)NCc2ccccc2)c1=O
Show InChI InChI=1S/C30H26ClF2N5O4/c31-22-13-7-12-21(15-22)27-35-17-23(34)28(41)38(27)18-25(39)37-24(14-19-8-3-1-4-9-19)26(40)30(32,33)29(42)36-16-20-10-5-2-6-11-20/h1-13,15,17,24H,14,16,18,34H2,(H,36,42)(H,37,39)
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2.62n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was determined against human heart chymase


J Med Chem 44: 1297-304 (2001)


Article DOI: 10.1021/jm000497n
BindingDB Entry DOI: 10.7270/Q22R3SCD
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50098874
PNG
(4-{2-[5-Amino-2-(3-chloro-phenyl)-6-oxo-6H-pyrimid...)
Show SMILES Nc1cnc(-c2cccc(Cl)c2)n(CC(=O)NC(Cc2ccccc2)C(=O)C(F)(F)C(=O)NCc2ccccc2)c1=O
Show InChI InChI=1S/C30H26ClF2N5O4/c31-22-13-7-12-21(15-22)27-35-17-23(34)28(41)38(27)18-25(39)37-24(14-19-8-3-1-4-9-19)26(40)30(32,33)29(42)36-16-20-10-5-2-6-11-20/h1-13,15,17,24H,14,16,18,34H2,(H,36,42)(H,37,39)
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28n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against canine skin chymase


J Med Chem 44: 1297-304 (2001)


Article DOI: 10.1021/jm000497n
BindingDB Entry DOI: 10.7270/Q22R3SCD
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (Human))
BDBM50098874
PNG
(4-{2-[5-Amino-2-(3-chloro-phenyl)-6-oxo-6H-pyrimid...)
Show SMILES Nc1cnc(-c2cccc(Cl)c2)n(CC(=O)NC(Cc2ccccc2)C(=O)C(F)(F)C(=O)NCc2ccccc2)c1=O
Show InChI InChI=1S/C30H26ClF2N5O4/c31-22-13-7-12-21(15-22)27-35-17-23(34)28(41)38(27)18-25(39)37-24(14-19-8-3-1-4-9-19)26(40)30(32,33)29(42)36-16-20-10-5-2-6-11-20/h1-13,15,17,24H,14,16,18,34H2,(H,36,42)(H,37,39)
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458n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was determined against bovine pancreas chymotrypsin


J Med Chem 44: 1297-304 (2001)


Article DOI: 10.1021/jm000497n
BindingDB Entry DOI: 10.7270/Q22R3SCD
More data for this
Ligand-Target Pair
Mast cell protease 9


(Mus musculus)
BDBM50098874
PNG
(4-{2-[5-Amino-2-(3-chloro-phenyl)-6-oxo-6H-pyrimid...)
Show SMILES Nc1cnc(-c2cccc(Cl)c2)n(CC(=O)NC(Cc2ccccc2)C(=O)C(F)(F)C(=O)NCc2ccccc2)c1=O
Show InChI InChI=1S/C30H26ClF2N5O4/c31-22-13-7-12-21(15-22)27-35-17-23(34)28(41)38(27)18-25(39)37-24(14-19-8-3-1-4-9-19)26(40)30(32,33)29(42)36-16-20-10-5-2-6-11-20/h1-13,15,17,24H,14,16,18,34H2,(H,36,42)(H,37,39)
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1.26E+3n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse peritoneal chymase


J Med Chem 44: 1297-304 (2001)


Article DOI: 10.1021/jm000497n
BindingDB Entry DOI: 10.7270/Q22R3SCD
More data for this
Ligand-Target Pair
Cathepsin G


(Homo sapiens (Human))
BDBM50098874
PNG
(4-{2-[5-Amino-2-(3-chloro-phenyl)-6-oxo-6H-pyrimid...)
Show SMILES Nc1cnc(-c2cccc(Cl)c2)n(CC(=O)NC(Cc2ccccc2)C(=O)C(F)(F)C(=O)NCc2ccccc2)c1=O
Show InChI InChI=1S/C30H26ClF2N5O4/c31-22-13-7-12-21(15-22)27-35-17-23(34)28(41)38(27)18-25(39)37-24(14-19-8-3-1-4-9-19)26(40)30(32,33)29(42)36-16-20-10-5-2-6-11-20/h1-13,15,17,24H,14,16,18,34H2,(H,36,42)(H,37,39)
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1.39E+3n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against human cathepsin G


J Med Chem 44: 1297-304 (2001)


Article DOI: 10.1021/jm000497n
BindingDB Entry DOI: 10.7270/Q22R3SCD
More data for this
Ligand-Target Pair
Mast cell protease 3


(Rattus norvegicus)
BDBM50098874
PNG
(4-{2-[5-Amino-2-(3-chloro-phenyl)-6-oxo-6H-pyrimid...)
Show SMILES Nc1cnc(-c2cccc(Cl)c2)n(CC(=O)NC(Cc2ccccc2)C(=O)C(F)(F)C(=O)NCc2ccccc2)c1=O
Show InChI InChI=1S/C30H26ClF2N5O4/c31-22-13-7-12-21(15-22)27-35-17-23(34)28(41)38(27)18-25(39)37-24(14-19-8-3-1-4-9-19)26(40)30(32,33)29(42)36-16-20-10-5-2-6-11-20/h1-13,15,17,24H,14,16,18,34H2,(H,36,42)(H,37,39)
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4.24E+3n/an/an/an/an/an/an/an/a



Welfide Corporation

Curated by ChEMBL


Assay Description
Inhibitory activity against rat peritoneal chymase


J Med Chem 44: 1297-304 (2001)


Article DOI: 10.1021/jm000497n
BindingDB Entry DOI: 10.7270/Q22R3SCD
More data for this
Ligand-Target Pair