BDBM48375 MLS000096473::N-(3-cyano-2-thienyl)-2-(quinazolin-4-ylthio)acetamide::N-(3-cyano-2-thiophenyl)-2-(4-quinazolinylthio)acetamide::N-(3-cyanothiophen-2-yl)-2-quinazolin-4-ylsulfanyl-ethanamide::N-(3-cyanothiophen-2-yl)-2-quinazolin-4-ylsulfanylacetamide::SMR000062024::cid_2369720

SMILES: O=C(CSc1ncnc2ccccc12)Nc1sccc1C#N

InChI Key: InChIKey=GWSPDRQXIXPBRK-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 = 48375   

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
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM48375 (MLS000096473 | N-(3-cyano-2-thienyl)-2-(quinazolin...) Show SMILES O=C(CSc1ncnc2ccccc12)Nc1sccc1C#N Show InChI InChI=1S/C15H10N4OS2/c16-7-10-5-6-21-14(10)19-13(20)8-22-15-11-3-1-2-4-12(11)17-9-18-15/h1-6,9H,8H2,(H,19,20)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2WD3Z0J
					More data for this Ligand-Target Pair
Estradiol receptor beta (ERβ) (Homo sapiens (Human))	BDBM48375 (MLS000096473 | N-(3-cyano-2-thienyl)-2-(quinazolin...) Show SMILES O=C(CSc1ncnc2ccccc12)Nc1sccc1C#N Show InChI InChI=1S/C15H10N4OS2/c16-7-10-5-6-21-14(10)19-13(20)8-22-15-11-3-1-2-4-12(11)17-9-18-15/h1-6,9H,8H2,(H,19,20)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2CF9NHH
					More data for this Ligand-Target Pair