BDBM50543535 CHEMBL4632639

SMILES: CC#CC(CC(O)=O)c1ccc(OCc2cccc(CN3CCC4N=C(OC4C3)C3CC3)c2)cc1

InChI Key: InChIKey=WPKLBSCLHAHZLO-UHFFFAOYSA-N

Data: 1 EC50

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 = 50543535   

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))	BDBM50543535 (CHEMBL4632639) Show SMILES CC#CC(CC(O)=O)c1ccc(OCc2cccc(CN3CCC4N=C(OC4C3)C3CC3)c2)cc1 |c:24| Show InChI InChI=1S/C29H32N2O4/c1-2-4-24(16-28(32)33)22-9-11-25(12-10-22)34-19-21-6-3-5-20(15-21)17-31-14-13-26-27(18-31)35-29(30-26)23-7-8-23/h3,5-6,9-12,15,23-24,26-27H,7-8,13-14,16-19H2,1H3,(H,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	1.20	n/a	n/a	n/a	n/a
Mizoram University Curated by ChEMBL					Assay Description Inhibition of DPP4 (unknown origin)				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair