BDBM50225045 (S)-2-amino-2-(3-hydroxy-adamantan-1-yl)-1-pyrrolidin-1-yl-ethanone::CHEMBL236057

SMILES: N[C@H](C(=O)N1CCCC1)C12CC3CC(CC(O)(C3)C1)C2

InChI Key: InChIKey=CAGADINTGSAKNC-JBICGJHZSA-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 = 50225045   

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
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50225045 ((S)-2-amino-2-(3-hydroxy-adamantan-1-yl)-1-pyrroli...) Show SMILES N[C@H](C(=O)N1CCCC1)C12CC3CC(CC(O)(C3)C1)C2 |w:11.12,13.13,THB:1:9:14:17.11.12,10:9:14:17.11.12,10:11:18.9.19:14,TEB:12:11:18:19.13.14,12:13:18:17.10.11| Show InChI InChI=1S/C16H26N2O2/c17-13(14(19)18-3-1-2-4-18)15-6-11-5-12(7-15)9-16(20,8-11)10-15/h11-13,20H,1-10,17H2/t11?,12?,13-,15?,16?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human DPP4				Bioorg Med Chem Lett 17: 6476-80 (2007) Article DOI: 10.1016/j.bmcl.2007.09.090 BindingDB Entry DOI: 10.7270/Q2B56JGM
					More data for this Ligand-Target Pair