BDBM83222 1-(1-Amino-5-p-tolyl-6,7,8,9-tetrahydro-thieno[2,3-c]isoquinolin-2-yl)-ethanone::1-[1-amino-5-(4-methylphenyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl]ethanone::1-[1-amino-5-(p-tolyl)-6,7,8,9-tetrahydrothien[2,3-c]isoquinolin-2-yl]ethanone::1-[1-azanyl-5-(4-methylphenyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl]ethanone::MLS000588532::SMR000219943::cid_930578

SMILES: CC(=O)c1sc2nc(-c3ccc(C)cc3)c3CCCCc3c2c1N

InChI Key: InChIKey=ZHSCIBUUPZLMQV-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 = 83222   

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
Beta lactamase (Pseudomonas aeruginosa)	BDBM83222 (1-(1-Amino-5-p-tolyl-6,7,8,9-tetrahydro-thieno[2,3...) Show SMILES CC(=O)c1sc2nc(-c3ccc(C)cc3)c3CCCCc3c2c1N Show InChI InChI=1S/C20H20N2OS/c1-11-7-9-13(10-8-11)18-15-6-4-3-5-14(15)16-17(21)19(12(2)23)24-20(16)22-18/h7-10H,3-6,21H2,1-2H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.73E+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 (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2G15ZB8
					More data for this Ligand-Target Pair
Toll-like receptor 9 (Homo sapiens (Human))	BDBM83222 (1-(1-Amino-5-p-tolyl-6,7,8,9-tetrahydro-thieno[2,3...) Show SMILES CC(=O)c1sc2nc(-c3ccc(C)cc3)c3CCCCc3c2c1N Show InChI InChI=1S/C20H20N2OS/c1-11-7-9-13(10-8-11)18-15-6-4-3-5-14(15)16-17(21)19(12(2)23)24-20(16)22-18/h7-10H,3-6,21H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.37E+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 (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2KS6Q2P
					More data for this Ligand-Target Pair