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SMILES: COc1ccc(CS(=O)(=O)[C@@H]2C[C@H](N(C2)C(=O)[C@@H](Cc2cccc(Cl)c2)Oc2cc(Cl)cc(Cl)c2)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCC(F)(F)F)cc1

InChI Key: InChIKey=OBSDQVAMXNUIKC-ITGKQZKFSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 496988   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Serine protease HTRA1


(Homo sapiens (Human))		BDBM496988
PNG
(US11001555, Example 11)
Show SMILES COc1ccc(CS(=O)(=O)[C@@H]2C[C@H](N(C2)C(=O)[C@@H](Cc2cccc(Cl)c2)Oc2cc(Cl)cc(Cl)c2)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCC(F)(F)F)cc1
Show InChI InChI=1S/C37H37Cl3F5N3O8S/c1-20(2)31(32(49)37(44,45)35(52)46-19-36(41,42)43)47-33(50)29-16-28(57(53,54)18-21-7-9-26(55-3)10-8-21)17-48(29)34(51)30(12-22-5-4-6-23(38)11-22)56-27-14-24(39)13-25(40)15-27/h4-11,13-15,20,28-31H,12,16-19H2,1-3H3,(H,46,52)(H,47,50)/t28-,29+,30-,31+/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 0.694n/an/an/an/an/an/a



Hoffman-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 US11001555 (2021)

More data for this
Ligand-Target Pair