BDBM50113138 1-(Toluene-4-sulfonyl)-pyrrolidine-2-carboxylic acid (3-phenyl-propyl)-amide::CHEMBL32508

SMILES: Cc1ccc(cc1)S(=O)(=O)N1CCCC1C(=O)NCCCc1ccccc1

InChI Key: InChIKey=GETPCDIMPMUWOU-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 = 50113138   

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))	BDBM50113138 (1-(Toluene-4-sulfonyl)-pyrrolidine-2-carboxylic ac...) Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCCC1C(=O)NCCCc1ccccc1 Show InChI InChI=1S/C21H26N2O3S/c1-17-11-13-19(14-12-17)27(25,26)23-16-6-10-20(23)21(24)22-15-5-9-18-7-3-2-4-8-18/h2-4,7-8,11-14,20H,5-6,9-10,15-16H2,1H3,(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	7.60E+3	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