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SMILES: Cc1cccc(c1)-n1c2n[nH]c(=S)n2c2sc3CCCc3c2c1=O

InChI Key: InChIKey=NNFIWDIVJBUAPK-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 45625   

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
Coagulation factor XII (Homo sapiens (Human))	BDBM45625 (1-mercapto-4-(3-methylphenyl)-7,8-dihydro-6H-cyclo...) Show SMILES Cc1cccc(c1)-n1c2n[nH]c(=S)n2c2sc3CCCc3c2c1=O Show InChI InChI=1S/C17H14N4OS2/c1-9-4-2-5-10(8-9)20-14(22)13-11-6-3-7-12(11)24-15(13)21-16(20)18-19-17(21)23/h2,4-5,8H,3,6-7H2,1H3,(H,19,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
PCMD Curated by PubChem BioAssay					Assay Description Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q21G0JQS
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM45625 (1-mercapto-4-(3-methylphenyl)-7,8-dihydro-6H-cyclo...) Show SMILES Cc1cccc(c1)-n1c2n[nH]c(=S)n2c2sc3CCCc3c2c1=O Show InChI InChI=1S/C17H14N4OS2/c1-9-4-2-5-10(8-9)20-14(22)13-11-6-3-7-12(11)24-15(13)21-16(20)18-19-17(21)23/h2,4-5,8H,3,6-7H2,1H3,(H,19,23)	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	4.89E+4	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2TX3CTT
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 4 gamma 1 (Homo sapiens (Human))	BDBM45625 (1-mercapto-4-(3-methylphenyl)-7,8-dihydro-6H-cyclo...) Show SMILES Cc1cccc(c1)-n1c2n[nH]c(=S)n2c2sc3CCCc3c2c1=O Show InChI InChI=1S/C17H14N4OS2/c1-9-4-2-5-10(8-9)20-14(22)13-11-6-3-7-12(11)24-15(13)21-16(20)18-19-17(21)23/h2,4-5,8H,3,6-7H2,1H3,(H,19,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	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 Dose Response Confirmation for Small Molecule Inhibitors of Eukaryotic Translation Initiation NIH Molecular Libraries Screening Centers Network [MLSC...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2RN3686
					More data for this Ligand-Target Pair