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BDBM50098875 4-[2-(5-Amino-6-oxo-2-m-tolyl-6H-pyrimidin-1-yl)-acetylamino]-2,2-difluoro-3-oxo-5-phenyl-pentanoic acid carbamoylmethyl-amide::CHEMBL25169

SMILES: Cc1cccc(c1)-c1ncc(N)c(=O)n1CC(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)NCC(N)=O

InChI Key: InChIKey=DGAWUNPWOXJNAH-UHFFFAOYSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50098875   
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))
BDBM50098875
PNG
(4-[2-(5-Amino-6-oxo-2-m-tolyl-6H-pyrimidin-1-yl)-a...)
Show SMILES Cc1cccc(c1)-c1ncc(N)c(=O)n1CC(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)NCC(N)=O
Show InChI InChI=1S/C26H26F2N6O5/c1-15-6-5-9-17(10-15)23-31-12-18(29)24(38)34(23)14-21(36)33-19(11-16-7-3-2-4-8-16)22(37)26(27,28)25(39)32-13-20(30)35/h2-10,12,19H,11,13-14,29H2,1H3,(H2,30,35)(H,32,39)(H,33,36)
PDB
MMDB

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UniProtKB/SwissProt

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DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
12n/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
Chymotrypsin


(Homo sapiens (Human))
BDBM50098875
PNG
(4-[2-(5-Amino-6-oxo-2-m-tolyl-6H-pyrimidin-1-yl)-a...)
Show SMILES Cc1cccc(c1)-c1ncc(N)c(=O)n1CC(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)NCC(N)=O
Show InChI InChI=1S/C26H26F2N6O5/c1-15-6-5-9-17(10-15)23-31-12-18(29)24(38)34(23)14-21(36)33-19(11-16-7-3-2-4-8-16)22(37)26(27,28)25(39)32-13-20(30)35/h2-10,12,19H,11,13-14,29H2,1H3,(H2,30,35)(H,32,39)(H,33,36)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.44E+3n/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