Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peptidyl-prolyl cis-trans isomerase FKBP1A' and Ligand = 'BDBM50113137'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50113137 ((S)-Pyrrolidine-1,2-dicarboxylic acid 1-benzylamid...) Show SMILES O=C(NCCCc1ccccc1)[C@@H]1CCCN1C(=O)NCc1ccccc1 Show InChI InChI=1S/C22H27N3O2/c26-21(23-15-7-13-18-9-3-1-4-10-18)20-14-8-16-25(20)22(27)24-17-19-11-5-2-6-12-19/h1-6,9-12,20H,7-8,13-17H2,(H,23,26)(H,24,27)/t20-/m0/s1	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+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