BDBM50190106 CHEMBL3827607::US10618914, Compound 32

SMILES: CC1(C)Sc2nnc(-c3[nH]nc4CCCc34)n2N=C1c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=OAVBVPBWKZMCDP-UHFFFAOYSA-N

Data: 4 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 5 hits for monomerid = 50190106   

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))	BDBM50190106 (CHEMBL3827607 | US10618914, Compound 32 | US111112...) Show SMILES CC1(C)Sc2nnc(-c3[nH]nc4CCCc34)n2N=C1c1ccc(Cl)c(Cl)c1 |c:20| Show InChI InChI=1S/C18H16Cl2N6S/c1-18(2)15(9-6-7-11(19)12(20)8-9)25-26-16(23-24-17(26)27-18)14-10-4-3-5-13(10)21-22-14/h6-8H,3-5H2,1-2H3,(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.86E+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
Signal transducer and activator of transcription 1-alpha/beta (Homo sapiens (Human))	BDBM50190106 (CHEMBL3827607 | US10618914, Compound 32 | US111112...) Show SMILES CC1(C)Sc2nnc(-c3[nH]nc4CCCc34)n2N=C1c1ccc(Cl)c(Cl)c1 |c:20| Show InChI InChI=1S/C18H16Cl2N6S/c1-18(2)15(9-6-7-11(19)12(20)8-9)25-26-16(23-24-17(26)27-18)14-10-4-3-5-13(10)21-22-14/h6-8H,3-5H2,1-2H3,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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 IFNgamma-induced STAT1 (unknown origin)				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
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50190106 (CHEMBL3827607 | US10618914, Compound 32 | US111112...) Show SMILES CC1(C)Sc2nnc(-c3[nH]nc4CCCc34)n2N=C1c1ccc(Cl)c(Cl)c1 |c:20| Show InChI InChI=1S/C18H16Cl2N6S/c1-18(2)15(9-6-7-11(19)12(20)8-9)25-26-16(23-24-17(26)27-18)14-10-4-3-5-13(10)21-22-14/h6-8H,3-5H2,1-2H3,(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	1.86E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta (Homo sapiens (Human))	BDBM50190106 (CHEMBL3827607 | US10618914, Compound 32 | US111112...) Show SMILES CC1(C)Sc2nnc(-c3[nH]nc4CCCc34)n2N=C1c1ccc(Cl)c(Cl)c1 |c:20| Show InChI InChI=1S/C18H16Cl2N6S/c1-18(2)15(9-6-7-11(19)12(20)8-9)25-26-16(23-24-17(26)27-18)14-10-4-3-5-13(10)21-22-14/h6-8H,3-5H2,1-2H3,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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))	BDBM50190106 (CHEMBL3827607 | US10618914, Compound 32 | US111112...) Show SMILES CC1(C)Sc2nnc(-c3[nH]nc4CCCc34)n2N=C1c1ccc(Cl)c(Cl)c1 |c:20| Show InChI InChI=1S/C18H16Cl2N6S/c1-18(2)15(9-6-7-11(19)12(20)8-9)25-26-16(23-24-17(26)27-18)14-10-4-3-5-13(10)21-22-14/h6-8H,3-5H2,1-2H3,(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.86E+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