BDBM41065 2-(2-Cyclopropyl-quinazolin-4-ylsulfanyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-ethanone::2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone::2-[(2-cyclopropyl-4-quinazolinyl)thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone::2-[(2-cyclopropylquinazolin-4-yl)thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone::MLS000556141::SMR000172951::cid_1435111

SMILES: O=C(CSc1nc(nc2ccccc12)C1CC1)N1CCc2ccccc2C1

InChI Key: InChIKey=NTUMBELBAQEIRB-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 = 41065   

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
Protein-tyrosine kinase 2-beta (Homo sapiens (Human))	BDBM41065 (2-(2-Cyclopropyl-quinazolin-4-ylsulfanyl)-1-(3,4-d...) Show SMILES O=C(CSc1nc(nc2ccccc12)C1CC1)N1CCc2ccccc2C1 Show InChI InChI=1S/C22H21N3OS/c26-20(25-12-11-15-5-1-2-6-17(15)13-25)14-27-22-18-7-3-4-8-19(18)23-21(24-22)16-9-10-16/h1-8,16H,9-14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM41065 (2-(2-Cyclopropyl-quinazolin-4-ylsulfanyl)-1-(3,4-d...) Show SMILES O=C(CSc1nc(nc2ccccc12)C1CC1)N1CCc2ccccc2C1 Show InChI InChI=1S/C22H21N3OS/c26-20(25-12-11-15-5-1-2-6-17(15)13-25)14-27-22-18-7-3-4-8-19(18)23-21(24-22)16-9-10-16/h1-8,16H,9-14H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.91E+3	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