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SMILES: COC[C@H](NC(=O)C(F)(F)c1cccc(Cl)c1)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCC(F)(F)F)S(=O)(=O)Cc1ccc(OC)cc1

InChI Key: InChIKey=RCDCYWAPSLNWCM-RSYZFUPGSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 496984   
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))		BDBM496984
PNG
(US11001555, Example 7)
Show SMILES COC[C@H](NC(=O)C(F)(F)c1cccc(Cl)c1)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCC(F)(F)F)S(=O)(=O)Cc1ccc(OC)cc1
Show InChI InChI=1S/C34H38ClF7N4O9S/c1-18(2)26(27(47)34(41,42)30(50)43-17-32(36,37)38)45-28(48)25-13-23(56(52,53)16-19-8-10-22(55-4)11-9-19)14-46(25)29(49)24(15-54-3)44-31(51)33(39,40)20-6-5-7-21(35)12-20/h5-12,18,23-26H,13-17H2,1-4H3,(H,43,50)(H,44,51)(H,45,48)/t23-,24+,25+,26+/m1/s1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.262n/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