BDBM50387244 CHEMBL1549031

SMILES: OC(=O)Cn1c(SCc2ccccc2)nc2ccccc12

InChI Key: InChIKey=MRSJYQOUPBHILP-UHFFFAOYSA-N

Data: 1 IC50  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 2 hits for monomerid = 50387244   

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
G protein-coupled receptor 44 (Homo sapiens (Human))	BDBM50387244 (CHEMBL1549031) Show SMILES OC(=O)Cn1c(SCc2ccccc2)nc2ccccc12 Show InChI InChI=1S/C16H14N2O2S/c19-15(20)10-18-14-9-5-4-8-13(14)17-16(18)21-11-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	388	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-PGD2 from human CRTh2 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 22: 4660-4 (2012) Article DOI: 10.1016/j.bmcl.2012.05.087 BindingDB Entry DOI: 10.7270/Q2M32WTH
					More data for this Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1 (Homo sapiens (Human))	BDBM50387244 (CHEMBL1549031) Show SMILES OC(=O)Cn1c(SCc2ccccc2)nc2ccccc12 Show InChI InChI=1S/C16H14N2O2S/c19-15(20)10-18-14-9-5-4-8-13(14)17-16(18)21-11-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,20)	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	>2.00E+5	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