BindingDB logo
myBDB logout

BDBM50314684 (R)-2-(2-naphthamido)-3-(3-chlorophenyl)propanoic acid::CHEMBL1091827

SMILES: OC(=O)[C@@H](Cc1cccc(Cl)c1)NC(=O)c1ccc2ccccc2c1

InChI Key: InChIKey=VGCIKNSFMREEJX-LGWFVXIRNA-N

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50314684   
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))
BDBM50314684
PNG
((R)-2-(2-naphthamido)-3-(3-chlorophenyl)propanoic ...)
Show SMILES OC(=O)[C@@H](Cc1cccc(Cl)c1)NC(=O)c1ccc2ccccc2c1
Show InChI InChI=1/C20H16ClNO3/c21-17-7-3-4-13(10-17)11-18(20(24)25)22-19(23)16-9-8-14-5-1-2-6-15(14)12-16/h1-10,12,18H,11H2,(H,22,23)(H,24,25)/t18-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.40E+3n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of WFYpSPFLE from human Pin1 catalytic domain after 10-20 mins by fluorescence polarization assay


Bioorg Med Chem Lett 20: 2210-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.033
BindingDB Entry DOI: 10.7270/Q2GX4BPW
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1


(Homo sapiens (Human))
BDBM50314684
PNG
((R)-2-(2-naphthamido)-3-(3-chlorophenyl)propanoic ...)
Show SMILES OC(=O)[C@@H](Cc1cccc(Cl)c1)NC(=O)c1ccc2ccccc2c1
Show InChI InChI=1/C20H16ClNO3/c21-17-7-3-4-13(10-17)11-18(20(24)25)22-19(23)16-9-8-14-5-1-2-6-15(14)12-16/h1-10,12,18H,11H2,(H,22,23)(H,24,25)/t18-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of human Pin1 by whole cell assay


Bioorg Med Chem Lett 20: 2210-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.033
BindingDB Entry DOI: 10.7270/Q2GX4BPW
More data for this
Ligand-Target Pair