BDBM50113140 1-(Toluene-4-sulfonyl)-pyrrolidine-2-carboxylic acid butylamide::CHEMBL34052

SMILES: CCCCNC(=O)C1CCCN1S(=O)(=O)c1ccc(C)cc1

InChI Key: InChIKey=SYSAWFUICFMUEP-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 = 50113140   

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))	BDBM50113140 (1-(Toluene-4-sulfonyl)-pyrrolidine-2-carboxylic ac...) Show SMILES CCCCNC(=O)C1CCCN1S(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C16H24N2O3S/c1-3-4-11-17-16(19)15-6-5-12-18(15)22(20,21)14-9-7-13(2)8-10-14/h7-10,15H,3-6,11-12H2,1-2H3,(H,17,19)	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