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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine protease HTRA1' and Ligand = 'BDBM475923'   
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
Serine protease HTRA1


(Homo sapiens (Human))		BDBM475923
PNG
((4S)-4-[[(2S)-2-[[(2R)-2- (3-chloro-5- cyanophenox...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](Cc1cccc(Cl)c1)Oc1cc(Cl)cc(c1)C#N)c1ccccc1)C(=O)C(F)(F)C(=O)NCC(F)(F)F |r|
Show InChI InChI=1S/C33H29Cl2F5N4O5/c1-18(2)26(28(45)33(39,40)31(48)42-17-32(36,37)38)43-30(47)27(21-8-4-3-5-9-21)44-29(46)25(14-19-7-6-10-22(34)11-19)49-24-13-20(16-41)12-23(35)15-24/h3-13,15,18,25-27H,14,17H2,1-2H3,(H,42,48)(H,43,47)(H,44,46)/t25-,26+,27+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.293n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...

US Patent US10865182 (2020)


BindingDB Entry DOI: 10.7270/Q2MC9330
More data for this
Ligand-Target Pair