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SMILES: OC(=O)C(=O)Nc1cnc(Cl)nc1Oc1ccccc1C#N

InChI Key: InChIKey=PYJPHXFANUCFST-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50461117   
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))		BDBM50461117
PNG
(CHEMBL4229041)
Show SMILES OC(=O)C(=O)Nc1cnc(Cl)nc1Oc1ccccc1C#N
Show InChI InChI=1S/C13H7ClN4O4/c14-13-16-6-8(17-10(19)12(20)21)11(18-13)22-9-4-2-1-3-7(9)5-15/h1-4,6H,(H,17,19)(H,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 2.67E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))		BDBM50461117
PNG
(CHEMBL4229041)
Show SMILES OC(=O)C(=O)Nc1cnc(Cl)nc1Oc1ccccc1C#N
Show InChI InChI=1S/C13H7ClN4O4/c14-13-16-6-8(17-10(19)12(20)21)11(18-13)22-9-4-2-1-3-7(9)5-15/h1-4,6H,(H,17,19)(H,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.67E+4n/an/an/an/an/an/a



Chinese Academy of Medical Sciences & Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged Pin1 PPIase activity expressed in Escherichia coli BL21 using Suc-Ala-Glu-cis-Pro-Phe-4-nitroanilide as su...

Bioorg Med Chem 26: 2186-2197 (2018)


Article DOI: 10.1016/j.bmc.2018.03.024
BindingDB Entry DOI: 10.7270/Q2RN3BH0
More data for this
Ligand-Target Pair