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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Chymotrypsinogen A' and Ligand = 'BDBM50068904'   
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
Chymotrypsinogen A


(Bos taurus (bovine))		BDBM50068904
PNG
(3-(4-{[(S)-1-((S)-2-tert-Butoxycarbonylamino-3-met...)
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)NCCC(O)=O
Show InChI InChI=1S/C29H40F2N4O8/c1-17(2)22(34-27(42)43-28(3,4)5)25(40)35-15-9-12-20(35)24(39)33-19(16-18-10-7-6-8-11-18)23(38)29(30,31)26(41)32-14-13-21(36)37/h6-8,10-11,17,19-20,22H,9,12-16H2,1-5H3,(H,32,41)(H,33,39)(H,34,42)(H,36,37)/t19?,20-,22-/m0/s1
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Similars
PubMed
 2.30E+3n/an/an/an/an/an/an/an/a



Green Cross Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against Chymotrypsinogen

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


BindingDB Entry DOI: 10.7270/Q2GQ6WXB
More data for this
Ligand-Target Pair