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BDBM50411014 CHEMBL538085

SMILES: Cc1cc(C(=O)N[C@@H](CCCCN)C(=O)c2noc(Cc3ccc(OCCc4ccc(Cl)c(Cl)c4)cc3)n2)c(C)o1

InChI Key: InChIKey=ZXQNDYQVHCSZPG-SANMLTNESA-N

Data: 1 KI

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

Found 1 hit for monomerid = 50411014   
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))
BDBM50411014
PNG
(CHEMBL538085)
Show SMILES Cc1cc(C(=O)N[C@@H](CCCCN)C(=O)c2noc(Cc3ccc(OCCc4ccc(Cl)c(Cl)c4)cc3)n2)c(C)o1 |r|
Show InChI InChI=1S/C30H32Cl2N4O5/c1-18-15-23(19(2)40-18)30(38)34-26(5-3-4-13-33)28(37)29-35-27(41-36-29)17-20-6-9-22(10-7-20)39-14-12-21-8-11-24(31)25(32)16-21/h6-11,15-16,26H,3-5,12-14,17,33H2,1-2H3,(H,34,38)/t26-/m0/s1
PDB
MMDB

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Similars

Article
PubMed
46n/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