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SMILES: CCCCCCCCS(=O)(=O)N1CCCC1C(=O)NCc1ccccc1

InChI Key: InChIKey=NHOFNSUYRWYMES-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50113107   
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))		BDBM50113107
PNG
(1-(Octane-1-sulfonyl)-pyrrolidine-2-carboxylic aci...)
Show SMILES CCCCCCCCS(=O)(=O)N1CCCC1C(=O)NCc1ccccc1
Show InChI InChI=1S/C20H32N2O3S/c1-2-3-4-5-6-10-16-26(24,25)22-15-11-14-19(22)20(23)21-17-18-12-8-7-9-13-18/h7-9,12-13,19H,2-6,10-11,14-17H2,1H3,(H,21,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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PC cid
PC sid
UniChem

Similars
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)


BindingDB Entry DOI: 10.7270/Q23J3C9S
More data for this
Ligand-Target Pair