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BDBM50210734 4-((S)-1-((R)-6-(5-chloro-2-methoxybenzyl)-2,5-dioxo-1,4-diazepane-4-carboxamido)propyl)-2-aminobenzoic acid::CHEMBL395206

SMILES: CC[C@H](NC(=O)N1CC(=O)NC[C@@H](Cc2cc(Cl)ccc2OC)C1=O)c1ccc(C(O)=O)c(N)c1

InChI Key: InChIKey=ZQCPJAZKZATEMD-BEFAXECRSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50210734   
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))
BDBM50210734
PNG
(4-((S)-1-((R)-6-(5-chloro-2-methoxybenzyl)-2,5-dio...)
Show SMILES CC[C@H](NC(=O)N1CC(=O)NC[C@@H](Cc2cc(Cl)ccc2OC)C1=O)c1ccc(C(O)=O)c(N)c1
Show InChI InChI=1S/C24H27ClN4O6/c1-3-19(13-4-6-17(23(32)33)18(26)10-13)28-24(34)29-12-21(30)27-11-15(22(29)31)8-14-9-16(25)5-7-20(14)35-2/h4-7,9-10,15,19H,3,8,11-12,26H2,1-2H3,(H,27,30)(H,28,34)(H,32,33)/t15-,19+/m1/s1
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Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Daiichi Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant chymase


Bioorg Med Chem Lett 17: 3435-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.085
BindingDB Entry DOI: 10.7270/Q2MK6CKH
More data for this
Ligand-Target Pair