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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Chymase' and Ligand = 'BDBM50068919'   
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))		BDBM50068919
PNG
(3-(4-{[(S)-1-(2-tert-Butoxycarbonylamino-4-carboxy...)
Show SMILES CC(C)(C)OC(=O)NC(CCC(O)=O)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(c1)C(O)=O
Show InChI InChI=1S/C33H38F2N4O10/c1-32(2,3)49-31(48)38-22(14-15-25(40)41)28(44)39-16-8-13-24(39)27(43)37-23(17-19-9-5-4-6-10-19)26(42)33(34,35)30(47)36-21-12-7-11-20(18-21)29(45)46/h4-7,9-12,18,22-24H,8,13-17H2,1-3H3,(H,36,47)(H,37,43)(H,38,48)(H,40,41)(H,45,46)/t22?,23?,24-/m0/s1
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Similars
PubMed
 3.90n/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: 919-24 (1999)


BindingDB Entry DOI: 10.7270/Q2BZ656D
More data for this
Ligand-Target Pair