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SMILES: OC(=O)C(CN1CCC(CC1)c1cc(nn1-c1ncccn1)-c1ccc(F)cc1)c1ccccc1

InChI Key: InChIKey=ASWVEQWRTMUNCF-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 235954   
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
Lysosomal Pro-X carboxypeptidase


(Homo sapiens (Human))		BDBM235954
PNG
(US9365539, 34)
Show SMILES OC(=O)C(CN1CCC(CC1)c1cc(nn1-c1ncccn1)-c1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C27H26FN5O2/c28-22-9-7-20(8-10-22)24-17-25(33(31-24)27-29-13-4-14-30-27)21-11-15-32(16-12-21)18-23(26(34)35)19-5-2-1-3-6-19/h1-10,13-14,17,21,23H,11-12,15-16,18H2,(H,34,35)
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PC cid
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US Patent
n/an/a 0.510n/an/an/an/a5.5n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The assay was run in a 384-well microliter plate at 37° C. with a total volume of 50 uL. Final assay concentrations were 0.13 nM human PrCP (CHO) or ...

US Patent US9365539 (2016)


BindingDB Entry DOI: 10.7270/Q22B8WXK
More data for this
Ligand-Target Pair