BDBM40943 (2-Isopropyl-quinazolin-4-ylsulfanyl)-acetic acid methyl ester::2-[(2-isopropylquinazolin-4-yl)thio]acetic acid methyl ester::2-[(2-propan-2-yl-4-quinazolinyl)thio]acetic acid methyl ester::MLS000074241::SMR000006837::cid_652110::methyl 2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetate::methyl 2-(2-propan-2-ylquinazolin-4-yl)sulfanylethanoate

SMILES: COC(=O)CSc1nc(nc2ccccc12)C(C)C

InChI Key: InChIKey=RXCTXYJPRWUXHX-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 40943   

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
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM40943 ((2-Isopropyl-quinazolin-4-ylsulfanyl)-acetic acid ...) Show SMILES COC(=O)CSc1nc(nc2ccccc12)C(C)C Show InChI InChI=1S/C14H16N2O2S/c1-9(2)13-15-11-7-5-4-6-10(11)14(16-13)19-8-12(17)18-3/h4-7,9H,8H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2GX48ZN
					More data for this Ligand-Target Pair
Prion protein (Homo sapiens (Human))	BDBM40943 ((2-Isopropyl-quinazolin-4-ylsulfanyl)-acetic acid ...) Show SMILES COC(=O)CSc1nc(nc2ccccc12)C(C)C Show InChI InChI=1S/C14H16N2O2S/c1-9(2)13-15-11-7-5-4-6-10(11)14(16-13)19-8-12(17)18-3/h4-7,9H,8H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	910	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2014) BindingDB Entry DOI: 10.7270/Q2HM573M
					More data for this Ligand-Target Pair
PTK2B protein tyrosine kinase 2 beta (PTK2B) (Homo sapiens (Human))	BDBM40943 ((2-Isopropyl-quinazolin-4-ylsulfanyl)-acetic acid ...) Show SMILES COC(=O)CSc1nc(nc2ccccc12)C(C)C Show InChI InChI=1S/C14H16N2O2S/c1-9(2)13-15-11-7-5-4-6-10(11)14(16-13)19-8-12(17)18-3/h4-7,9H,8H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>6.95E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2H993M3
					More data for this Ligand-Target Pair