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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Chymase' and Ligand = 'BDBM50068897'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Chymase


(Homo sapiens (Human))
BDBM50068897
PNG
(CHEMBL171119 | {(S)-1-[(S)-2-(1-Benzyl-3,3-difluor...)
Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C34H44F2N4O6/c1-22(2)27(39-32(45)46-33(3,4)5)30(43)40-20-12-17-26(40)29(42)38-25(21-24-15-10-7-11-16-24)28(41)34(35,36)31(44)37-19-18-23-13-8-6-9-14-23/h6-11,13-16,22,25-27H,12,17-21H2,1-5H3,(H,37,44)(H,38,42)(H,39,45)/t25?,26-,27-/m0/s1
PDB
MMDB

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Similars

Article
PubMed
18n/an/an/an/an/an/an/an/a



Green Cross Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human heart chymase (HHC)


Bioorg Med Chem Lett 8: 913-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00131-0
BindingDB Entry DOI: 10.7270/Q2GQ6WXB
More data for this
Ligand-Target Pair