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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine protease 1' and Ligand = 'BDBM50031245'   
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
Serine protease 1


(Homo sapiens (Human))		BDBM50031245
PNG
(CHEMBL341266 | {2-[2-(3-{6-Amino-2-[2-(2-decylamin...)
Show SMILES CCCCCCCCCCN[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)OC
Show InChI InChI=1S/C45H88N14O8/c1-8-9-10-11-12-13-14-17-24-51-33(22-19-26-53-45(49)50)40(63)59-38(30(4)5)43(66)57-34(20-15-16-23-46)41(64)56-32(21-18-25-52-44(47)48)35(60)27-54-31(6)39(62)58-37(29(2)3)42(65)55-28-36(61)67-7/h29-34,37-38,51,54H,8-28,46H2,1-7H3,(H,55,65)(H,56,64)(H,57,66)(H,58,62)(H,59,63)(H4,47,48,52)(H4,49,50,53)/t31-,32-,33-,34-,37-,38-/m0/s1
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Similars
PubMed
 1.90E+3n/an/an/an/an/an/an/an/a



Friedrich Miescher-Institut

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against trypsin

J Med Chem 38: 4014-8 (1995)


BindingDB Entry DOI: 10.7270/Q2JH3K6M
More data for this
Ligand-Target Pair