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BDBM50411013 CHEMBL534493

SMILES: NCCCC[C@H](NC(=O)C1CC1)C(=O)c1noc(Cc2ccc(OCCc3ccc(Cl)c(Cl)c3)cc2)n1

InChI Key: InChIKey=ZYDNPDIXLNZESB-QHCPKHFHSA-N

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50411013   
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
Tryptase


(Homo sapiens (Human))
BDBM50411013
PNG
(CHEMBL534493)
Show SMILES NCCCC[C@H](NC(=O)C1CC1)C(=O)c1noc(Cc2ccc(OCCc3ccc(Cl)c(Cl)c3)cc2)n1 |r|
Show InChI InChI=1S/C27H30Cl2N4O4/c28-21-11-6-18(15-22(21)29)12-14-36-20-9-4-17(5-10-20)16-24-32-26(33-37-24)25(34)23(3-1-2-13-30)31-27(35)19-7-8-19/h4-6,9-11,15,19,23H,1-3,7-8,12-14,16,30H2,(H,31,35)/t23-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
4.60n/an/an/an/an/an/an/an/a



Celera Genomics

Curated by ChEMBL


Assay Description
Inhibition of human B tryptase


Bioorg Med Chem Lett 16: 3434-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.013
BindingDB Entry DOI: 10.7270/Q2G44RHP
More data for this
Ligand-Target Pair