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BDBM50133513 CHEMBL3633009

SMILES: Cn1nc(cc1C(=O)N[C@H](CC(=O)N1CCCC1)C(O)=O)-c1ccccc1

InChI Key: InChIKey=ZFGZKSSBPVNDNG-GGYSOQFKNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50133513   
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))
BDBM50133513
PNG
(CHEMBL3633009)
Show SMILES Cn1nc(cc1C(=O)N[C@H](CC(=O)N1CCCC1)C(O)=O)-c1ccccc1
Show InChI InChI=1/C19H22N4O4/c1-22-16(11-14(21-22)13-7-3-2-4-8-13)18(25)20-15(19(26)27)12-17(24)23-9-5-6-10-23/h2-4,7-8,11,15H,5-6,9-10,12H2,1H3,(H,20,25)(H,26,27)/t15-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
Inhibition of Pin-1 (unknown origin) using suc-Ala-Glu-Pro-Phe-pNA as substrate preincubated for 10 mins followed by substrate addition measured afte...


Bioorg Med Chem Lett 25: 5619-24 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.033
BindingDB Entry DOI: 10.7270/Q25X2BSP
More data for this
Ligand-Target Pair