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SMILES: COCCC1Sc2nnc(-c3cc(n[nH]3)-c3ccccc3)n2N=C1c1ccc(OC)cc1

InChI Key: InChIKey=PVUJVPZHECDFFI-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50190105   

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
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50190105 (CHEMBL3827269 | US10618914, Compound 31) Show SMILES COCCC1Sc2nnc(-c3cc(n[nH]3)-c3ccccc3)n2N=C1c1ccc(OC)cc1 |c:25| Show InChI InChI=1S/C23H22N6O2S/c1-30-13-12-20-21(16-8-10-17(31-2)11-9-16)28-29-22(26-27-23(29)32-20)19-14-18(24-25-19)15-6-4-3-5-7-15/h3-11,14,20H,12-13H2,1-2H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh—Of the Commonwealth System of Higher Education US Patent					Assay Description Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...				US Patent US10618914 (2020)
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50190105 (CHEMBL3827269 | US10618914, Compound 31) Show SMILES COCCC1Sc2nnc(-c3cc(n[nH]3)-c3ccccc3)n2N=C1c1ccc(OC)cc1 |c:25| Show InChI InChI=1S/C23H22N6O2S/c1-30-13-12-20-21(16-8-10-17(31-2)11-9-16)28-29-22(26-27-23(29)32-20)19-14-18(24-25-19)15-6-4-3-5-7-15/h3-11,14,20H,12-13H2,1-2H3,(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Chemical Diversity Center Curated by ChEMBL					Assay Description Inhibition of IL6-induced STAT3 in human CAL33 cells				Bioorg Med Chem Lett 26: 3581-5 (2016) Article DOI: 10.1016/j.bmcl.2016.06.017 BindingDB Entry DOI: 10.7270/Q2ZK5JMR
					More data for this Ligand-Target Pair