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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Chymase' and Ligand = 'BDBM50068912'   
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))		BDBM50068912
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)Nc1cc(C(O)=O)c2ccccc2c1
Show InChI InChI=1S/C37H40F2N4O10/c1-36(2,3)53-35(52)42-26(15-16-29(44)45)32(48)43-17-9-14-28(43)31(47)41-27(18-21-10-5-4-6-11-21)30(46)37(38,39)34(51)40-23-19-22-12-7-8-13-24(22)25(20-23)33(49)50/h4-8,10-13,19-20,26-28H,9,14-18H2,1-3H3,(H,40,51)(H,41,47)(H,42,52)(H,44,45)(H,49,50)/t26?,27?,28-/m0/s1
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PubMed
 14n/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