BDBM50113131 CHEMBL33413::Pyrrolidine-1,2-dicarboxylic acid 2-(phenethyl-amide) 1-phenylamide

SMILES: O=C(NCCc1ccccc1)C1CCCN1C(=O)Nc1ccccc1

InChI Key: InChIKey=AFCKUAUSSVLYEZ-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 = 50113131   

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))	BDBM50113131 (CHEMBL33413 | Pyrrolidine-1,2-dicarboxylic acid 2-...) Show SMILES O=C(NCCc1ccccc1)C1CCCN1C(=O)Nc1ccccc1 Show InChI InChI=1S/C20H23N3O2/c24-19(21-14-13-16-8-3-1-4-9-16)18-12-7-15-23(18)20(25)22-17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15H2,(H,21,24)(H,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	3.00E+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