BDBM50125798 CHEMBL1559959

SMILES: Cc1cccc(OCCn2c(SCC(O)=O)nc3ccccc23)c1

InChI Key: InChIKey=IRMKBFVKYQUHAR-UHFFFAOYSA-N

Data: 1 Kd

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 = 50125798   

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
3-phosphoinositide dependent protein kinase-1 (Homo sapiens (Human))	BDBM50125798 (CHEMBL1559959) Show SMILES Cc1cccc(OCCn2c(SCC(O)=O)nc3ccccc23)c1 Show InChI InChI=1S/C18H18N2O3S/c1-13-5-4-6-14(11-13)23-10-9-20-16-8-3-2-7-15(16)19-18(20)24-12-17(21)22/h2-8,11H,9-10,12H2,1H3,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	7.50E+4	n/a	n/a	n/a	n/a	n/a
Bioinformatics Institute (BII) Curated by ChEMBL					Assay Description Displacement of PIFtide from human PDK1 PIF pocket after 1 hr by fluorescence polarization assay				J Med Chem 58: 8285-91 (2015) BindingDB Entry DOI: 10.7270/Q2NS0WR2
					More data for this Ligand-Target Pair