BDBM50387185 CHEMBL2048021

SMILES: OC(=O)Cn1c(SCCOc2ccc3ccccc3c2)nc2ccccc12

InChI Key: InChIKey=SWMBLIICWJBQBE-UHFFFAOYSA-N

Data: 2 IC50

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 = 50387185   

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
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50387185 (CHEMBL2048021) Show SMILES OC(=O)Cn1c(SCCOc2ccc3ccccc3c2)nc2ccccc12 Show InChI InChI=1S/C21H18N2O3S/c24-20(25)14-23-19-8-4-3-7-18(19)22-21(23)27-12-11-26-17-10-9-15-5-1-2-6-16(15)13-17/h1-10,13H,11-12,14H2,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do ABC Curated by ChEMBL					Assay Description Displacement of fluormone from human PPARgamma LBD expressed in Escherichia coli BL21 DE3 by fluorescence polarization assay				Bioorg Med Chem Lett 23: 5795-802 (2013) Article DOI: 10.1016/j.bmcl.2013.09.010 BindingDB Entry DOI: 10.7270/Q2D221JC
					More data for this Ligand-Target Pair
G protein-coupled receptor 44 (Homo sapiens (Human))	BDBM50387185 (CHEMBL2048021) Show SMILES OC(=O)Cn1c(SCCOc2ccc3ccccc3c2)nc2ccccc12 Show InChI InChI=1S/C21H18N2O3S/c24-20(25)14-23-19-8-4-3-7-18(19)22-21(23)27-12-11-26-17-10-9-15-5-1-2-6-16(15)13-17/h1-10,13H,11-12,14H2,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	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