BindingDB logo
myBDB logout

BDBM50113110 1-(Octane-1-sulfonyl)-pyrrolidine-2-carboxylic acid phenethyl-amide::CHEMBL33581

SMILES: CCCCCCCCS(=O)(=O)N1CCCC1C(=O)NCCc1ccccc1

InChI Key: InChIKey=DCIRHZRZVMMCSO-UHFFFAOYSA-N

Data: 1 KI

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 1 hit for monomerid = 50113110   
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 FKBP1A


(Homo sapiens (Human))
BDBM50113110
PNG
(1-(Octane-1-sulfonyl)-pyrrolidine-2-carboxylic aci...)
Show SMILES CCCCCCCCS(=O)(=O)N1CCCC1C(=O)NCCc1ccccc1
Show InChI InChI=1S/C21H34N2O3S/c1-2-3-4-5-6-10-18-27(25,26)23-17-11-14-20(23)21(24)22-16-15-19-12-8-7-9-13-19/h7-9,12-13,20H,2-6,10-11,14-18H2,1H3,(H,22,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Guilford Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Ability to inhibit peptidyl-prolyl isomerase (PPIase, or rotamase) activity of FK506 binding protein 12


Bioorg Med Chem Lett 12: 1429-33 (2002)


Article DOI: 10.1016/s0960-894x(02)00146-4
BindingDB Entry DOI: 10.7270/Q23J3C9S
More data for this
Ligand-Target Pair