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BDBM50098868 4-[2-(5-Amino-6-oxo-2-m-tolyl-6H-pyrimidin-1-yl)-acetylamino]-2,2-difluoro-3-oxo-5-phenyl-pentanoic acid (2-azepan-1-yl-2-oxo-ethyl)-amide::CHEMBL26448

SMILES: Cc1cccc(c1)-c1ncc(N)c(=O)n1CC(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)NCC(=O)N1CCCCCC1

InChI Key: InChIKey=JSEYNYOXJTVKFS-UHFFFAOYSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50098868   
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))
BDBM50098868
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(=O)N1CCCCCC1
Show InChI InChI=1S/C32H36F2N6O5/c1-21-10-9-13-23(16-21)29-36-18-24(35)30(44)40(29)20-26(41)38-25(17-22-11-5-4-6-12-22)28(43)32(33,34)31(45)37-19-27(42)39-14-7-2-3-8-15-39/h4-6,9-13,16,18,25H,2-3,7-8,14-15,17,19-20,35H2,1H3,(H,37,45)(H,38,41)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.56n/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))
BDBM50098868
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(=O)N1CCCCCC1
Show InChI InChI=1S/C32H36F2N6O5/c1-21-10-9-13-23(16-21)29-36-18-24(35)30(44)40(29)20-26(41)38-25(17-22-11-5-4-6-12-22)28(43)32(33,34)31(45)37-19-27(42)39-14-7-2-3-8-15-39/h4-6,9-13,16,18,25H,2-3,7-8,14-15,17,19-20,35H2,1H3,(H,37,45)(H,38,41)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.22E+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