BDBM123776 (2S)-1-(2-{[(1r,3s,5R,7S)-3-hydroxyadamantan-1- yl]amino}acetyl)pyrrolidine-2-carbonitrile (11)

SMILES: O[C@]12C[C@@H]3C[C@H](C1)C[C@@](C3)(C2)NCC(=O)N1CCC[C@H]1C#N

InChI Key: InChIKey=SYOKIDBDQMKNDQ-NHMCJKAESA-N

Data: 1 IC50

PDB links: 2 PDB IDs match this monomer.

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 = 123776   

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))	BDBM123776 ((2S)-1-(2-{[(1r,3s,5R,7S)-3-hydroxyadamantan-1- yl...) Show SMILES O[C@]12C[C@@H]3C[C@H](C1)C[C@@](C3)(C2)NCC(=O)N1CCC[C@H]1C#N |r,TLB:6:1:9:5.7.4,0:1:9.8.7:4,THB:10:1:9.8.7:4,6:5:9:1.2.10| Show InChI InChI=1S/C17H25N3O2/c18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16/h12-14,19,22H,1-8,10-11H2/t12-,13+,14-,16+,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University					Assay Description The HypoGen module in DS2.5 was employed to produce pharmaphores with the training set compounds.				Chem Biol Drug Des 84: 364-77 (2014) Article DOI: 10.1111/cbdd.12327 BindingDB Entry DOI: 10.7270/Q2D21W96
					More data for this Ligand-Target Pair				3D Structure (crystal)