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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Chymase' and Ligand = 'BDBM50520065'   
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))		BDBM50520065
PNG
(CHEMBL4593335)
Show SMILES CCCC[C@@H]1NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N2
Show InChI InChI=1S/C70H99N15O19S2/c1-6-9-18-42-59(93)79-48-35-105-106-36-49(64(98)77-46(30-39-16-11-10-12-17-39)68(102)83-26-13-19-50(83)65(99)76-45(32-55(90)91)58(92)72-33-54(89)73-42)80-67(101)56(37(4)7-2)81-66(100)51-20-14-27-84(51)69(103)52-21-15-28-85(52)70(104)57(38(5)8-3)82-62(96)47(34-86)78-60(94)43(29-40-22-24-41(87)25-23-40)74-61(95)44(31-53(71)88)75-63(48)97/h10-12,16-17,22-25,37-38,42-52,56-57,86-87H,6-9,13-15,18-21,26-36H2,1-5H3,(H2,71,88)(H,72,92)(H,73,89)(H,74,95)(H,75,97)(H,76,99)(H,77,98)(H,78,94)(H,79,93)(H,80,101)(H,81,100)(H,82,96)(H,90,91)/t37-,38-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,56-,57-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
 1.70E+3n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of recombinant human chymase expressed in Pichia pastoris X-33 cells using NleTDY-pNA as substrate assessed as cleavage of pNA at pH 7.2 a...

J Med Chem 63: 816-826 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01811
BindingDB Entry DOI: 10.7270/Q2RX9GG7
More data for this
Ligand-Target Pair