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SMILES: OC(=O)[C@@H](Cc1nc2ccccc2[nH]1)NC(=O)CCc1ccccc1

InChI Key: InChIKey=AZXJPZVGZBWZMA-MRXNPFEDSA-N

PDB links: 1 PDB ID matches this monomer.

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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 = 50305672   
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
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50305672
PNG
((R)-3-(1H-benzo[d]imidazol-2-yl)-2-(3-phenylpropan...)
Show SMILES OC(=O)[C@@H](Cc1nc2ccccc2[nH]1)NC(=O)CCc1ccccc1 |r|
Show InChI InChI=1S/C19H19N3O3/c23-18(11-10-13-6-2-1-3-7-13)22-16(19(24)25)12-17-20-14-8-4-5-9-15(14)21-17/h1-9,16H,10-12H2,(H,20,21)(H,22,23)(H,24,25)/t16-/m1/s1
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Article
PubMed
n/an/a 7.50E+3n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inhibition of 8His-tagged Pin1 PPIase domain (45-163)


Bioorg Med Chem Lett 20: 586-90 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.090
BindingDB Entry DOI: 10.7270/Q2QJ7HDW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)