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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Chymase' and Ligand = 'BDBM50068890'   
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
Chymase


(Homo sapiens (Human))		BDBM50068890
PNG
(2-(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)NC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C35H44F2N4O8/c1-21(2)27(40-33(48)49-34(3,4)5)30(44)41-18-12-17-26(41)29(43)38-24(19-22-13-8-6-9-14-22)28(42)35(36,37)32(47)39-25(31(45)46)20-23-15-10-7-11-16-23/h6-11,13-16,21,24-27H,12,17-20H2,1-5H3,(H,38,43)(H,39,47)(H,40,48)(H,45,46)/t24?,25?,26-,27-/m0/s1
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PubMed
 30n/an/an/an/an/an/an/an/a



Green Cross Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human heart chymase (HHC)

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


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