BDBM50113115 1-((E)-2-Phenyl-ethenesulfonyl)-pyrrolidine-2-carboxylic acid benzylamide::CHEMBL33555

SMILES: O=C(NCc1ccccc1)C1CCCN1S(=O)(=O)\C=C\c1ccccc1

InChI Key: InChIKey=LCEHMKFPACVQAI-FYWRMAATSA-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 = 50113115   

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))	BDBM50113115 (1-((E)-2-Phenyl-ethenesulfonyl)-pyrrolidine-2-carb...) Show SMILES O=C(NCc1ccccc1)C1CCCN1S(=O)(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C20H22N2O3S/c23-20(21-16-18-10-5-2-6-11-18)19-12-7-14-22(19)26(24,25)15-13-17-8-3-1-4-9-17/h1-6,8-11,13,15,19H,7,12,14,16H2,(H,21,23)/b15-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>5.00E+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