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SMILES: CN(Cc1ccccc1)C(=O)c1[nH]c(nc1C(O)=O)-c1cccc(Cl)c1

InChI Key: InChIKey=BSLQMHNPFUHRKP-UHFFFAOYSA-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 = 50329874   
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))
BDBM50329874
PNG
(4-(benzyl(methyl)carbamoyl)-2-(3-chlorophenyl)-1H-...)
Show SMILES CN(Cc1ccccc1)C(=O)c1[nH]c(nc1C(O)=O)-c1cccc(Cl)c1
Show InChI InChI=1S/C19H16ClN3O3/c1-23(11-12-6-3-2-4-7-12)18(24)15-16(19(25)26)22-17(21-15)13-8-5-9-14(20)10-13/h2-10H,11H2,1H3,(H,21,22)(H,25,26)
PDB
MMDB

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Similars

MMDB
PDB
Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Inhibition of Pin1 by PIn1 PPIase assay


Bioorg Med Chem Lett 20: 6483-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.063
BindingDB Entry DOI: 10.7270/Q2SB4606
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)