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BDBM235950 US9365539, 1

SMILES: Clc1ccc(cc1)-c1cc(C2CCN(CCc3ccccc3)CC2)n(n1)-c1ncccn1

InChI Key: InChIKey=SVHYVLJAAMPZJM-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 235950   
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
Prolylcarboxypeptidase (PRCP)


(Homo sapiens (Human))
BDBM235950
PNG
(US9365539, 1)
Show SMILES Clc1ccc(cc1)-c1cc(C2CCN(CCc3ccccc3)CC2)n(n1)-c1ncccn1
Show InChI InChI=1S/C26H26ClN5/c27-23-9-7-21(8-10-23)24-19-25(32(30-24)26-28-14-4-15-29-26)22-12-17-31(18-13-22)16-11-20-5-2-1-3-6-20/h1-10,14-15,19,22H,11-13,16-18H2
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.0510n/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