BDBM80775 1-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)diazane;hydrobromide::1-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine;hydrobromide::1-[4-(4-tert-butylphenyl)-2-thiazolyl]-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine;hydrobromide::1-[4-(4-tert-butylphenyl)thiazol-2-yl]-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)hydrazine;hydrobromide::MLS000564997::SMR000152175::cid_11834397

SMILES: CC(C)(C)c1ccc(cc1)-c1csc(NNC2=NCCCCC2)n1

InChI Key: InChIKey=HTIJSHDEAFZJCF-UHFFFAOYSA-N

Data: 2 EC50

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 = 80775   

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
Hexokinase type I (Homo sapiens (Human))	BDBM80775 (1-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-(3,4...) Show SMILES CC(C)(C)c1ccc(cc1)-c1csc(NNC2=NCCCCC2)n1 |t:17| Show InChI InChI=1S/C19H26N4S/c1-19(2,3)15-10-8-14(9-11-15)16-13-24-18(21-16)23-22-17-7-5-4-6-12-20-17/h8-11,13H,4-7,12H2,1-3H3,(H,20,22)(H,21,23)	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	n/a	n/a	4.74E+4	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2765CSM
					More data for this Ligand-Target Pair
putative hexokinase HKDC1 (Homo sapiens (Human))	BDBM80775 (1-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-(3,4...) Show SMILES CC(C)(C)c1ccc(cc1)-c1csc(NNC2=NCCCCC2)n1 |t:17| Show InChI InChI=1S/C19H26N4S/c1-19(2,3)15-10-8-14(9-11-15)16-13-24-18(21-16)23-22-17-7-5-4-6-12-20-17/h8-11,13H,4-7,12H2,1-3H3,(H,20,22)(H,21,23)	GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.81E+4	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2R78CQV
					More data for this Ligand-Target Pair