BDBM50113136 1-((E)-2-Phenyl-ethenesulfonyl)-piperidine-2-carboxylic acid butylamide::CHEMBL432078

SMILES: CCCCNC(=O)C1CCCCN1S(=O)(=O)\C=C\c1ccccc1

InChI Key: InChIKey=AGONNMICBWHYRL-NTCAYCPXSA-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 = 50113136   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Peptidyl-prolyl cis-trans isomerase FKBP1A (Homo sapiens (Human))	BDBM50113136 (1-((E)-2-Phenyl-ethenesulfonyl)-piperidine-2-carbo...) Show SMILES CCCCNC(=O)C1CCCCN1S(=O)(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C18H26N2O3S/c1-2-3-13-19-18(21)17-11-7-8-14-20(17)24(22,23)15-12-16-9-5-4-6-10-16/h4-6,9-10,12,15,17H,2-3,7-8,11,13-14H2,1H3,(H,19,21)/b15-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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