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BDBM50098870 CHEMBL26182::{4-[2-(5-Amino-6-oxo-2-m-tolyl-6H-pyrimidin-1-yl)-acetylamino]-2,2-difluoro-3-oxo-5-phenyl-pentanoylamino}-acetic acid methyl ester

SMILES: COC(=O)CNC(=O)C(F)(F)C(=O)C(Cc1ccccc1)NC(=O)Cn1c(ncc(N)c1=O)-c1cccc(C)c1

InChI Key: InChIKey=XAMQZXSJYFEDPF-UHFFFAOYSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50098870   
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))
BDBM50098870
PNG
(CHEMBL26182 | {4-[2-(5-Amino-6-oxo-2-m-tolyl-6H-py...)
Show SMILES COC(=O)CNC(=O)C(F)(F)C(=O)C(Cc1ccccc1)NC(=O)Cn1c(ncc(N)c1=O)-c1cccc(C)c1
Show InChI InChI=1S/C27H27F2N5O6/c1-16-7-6-10-18(11-16)24-31-13-19(30)25(38)34(24)15-21(35)33-20(12-17-8-4-3-5-9-17)23(37)27(28,29)26(39)32-14-22(36)40-2/h3-11,13,20H,12,14-15,30H2,1-2H3,(H,32,39)(H,33,35)
PDB
MMDB

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UniProtKB/SwissProt

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DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
10.2n/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))
BDBM50098870
PNG
(CHEMBL26182 | {4-[2-(5-Amino-6-oxo-2-m-tolyl-6H-py...)
Show SMILES COC(=O)CNC(=O)C(F)(F)C(=O)C(Cc1ccccc1)NC(=O)Cn1c(ncc(N)c1=O)-c1cccc(C)c1
Show InChI InChI=1S/C27H27F2N5O6/c1-16-7-6-10-18(11-16)24-31-13-19(30)25(38)34(24)15-21(35)33-20(12-17-8-4-3-5-9-17)23(37)27(28,29)26(39)32-14-22(36)40-2/h3-11,13,20H,12,14-15,30H2,1-2H3,(H,32,39)(H,33,35)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
147n/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