BDBM50113129 1-(2-Phenyl-ethanesulfonyl)-pyrrolidine-2-carboxylic acid butylamide::CHEMBL33114

SMILES: CCCCNC(=O)C1CCCN1S(=O)(=O)CCc1ccccc1

InChI Key: InChIKey=HWLZHYNPBCXQNK-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 = 50113129   

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))	BDBM50113129 (1-(2-Phenyl-ethanesulfonyl)-pyrrolidine-2-carboxyl...) Show SMILES CCCCNC(=O)C1CCCN1S(=O)(=O)CCc1ccccc1 Show InChI InChI=1S/C17H26N2O3S/c1-2-3-12-18-17(20)16-10-7-13-19(16)23(21,22)14-11-15-8-5-4-6-9-15/h4-6,8-9,16H,2-3,7,10-14H2,1H3,(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.20E+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