BDBM50189927 CHEMBL1564640::US10618914, Compound 7a

SMILES: C1Cc2n[nH]c(c2C1)-c1nnc2SCC(=Nn12)c1ccccc1

InChI Key: InChIKey=MDOCWQYMGLTFKB-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 6 hits for monomerid = 50189927   

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))	BDBM50189927 (CHEMBL1564640 | US10618914, Compound 7a | US111112...) Show SMILES C1Cc2n[nH]c(c2C1)-c1nnc2SCC(=Nn12)c1ccccc1 |c:16| Show InChI InChI=1S/C16H14N6S/c1-2-5-10(6-3-1)13-9-23-16-20-19-15(22(16)21-13)14-11-7-4-8-12(11)17-18-14/h1-3,5-6H,4,7-9H2,(H,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.12E+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
Transcription Factor STAT1 (Homo sapiens (Human))	BDBM50189927 (CHEMBL1564640 | US10618914, Compound 7a | US111112...) Show SMILES C1Cc2n[nH]c(c2C1)-c1nnc2SCC(=Nn12)c1ccccc1 |c:16| Show InChI InChI=1S/C16H14N6S/c1-2-5-10(6-3-1)13-9-23-16-20-19-15(22(16)21-13)14-11-7-4-8-12(11)17-18-14/h1-3,5-6H,4,7-9H2,(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	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
Transcription Factor STAT1 (Homo sapiens (Human))	BDBM50189927 (CHEMBL1564640 | US10618914, Compound 7a | US111112...) Show SMILES C1Cc2n[nH]c(c2C1)-c1nnc2SCC(=Nn12)c1ccccc1 |c:16| Show InChI InChI=1S/C16H14N6S/c1-2-5-10(6-3-1)13-9-23-16-20-19-15(22(16)21-13)14-11-7-4-8-12(11)17-18-14/h1-3,5-6H,4,7-9H2,(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents		n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Transcription Factor STAT1 (Homo sapiens (Human))	BDBM50189927 (CHEMBL1564640 | US10618914, Compound 7a | US111112...) Show SMILES C1Cc2n[nH]c(c2C1)-c1nnc2SCC(=Nn12)c1ccccc1 |c:16| Show InChI InChI=1S/C16H14N6S/c1-2-5-10(6-3-1)13-9-23-16-20-19-15(22(16)21-13)14-11-7-4-8-12(11)17-18-14/h1-3,5-6H,4,7-9H2,(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	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))	BDBM50189927 (CHEMBL1564640 | US10618914, Compound 7a | US111112...) Show SMILES C1Cc2n[nH]c(c2C1)-c1nnc2SCC(=Nn12)c1ccccc1 |c:16| Show InChI InChI=1S/C16H14N6S/c1-2-5-10(6-3-1)13-9-23-16-20-19-15(22(16)21-13)14-11-7-4-8-12(11)17-18-14/h1-3,5-6H,4,7-9H2,(H,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents		n/a	n/a	2.12E+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 3 (Homo sapiens (Human))	BDBM50189927 (CHEMBL1564640 | US10618914, Compound 7a | US111112...) Show SMILES C1Cc2n[nH]c(c2C1)-c1nnc2SCC(=Nn12)c1ccccc1 |c:16| Show InChI InChI=1S/C16H14N6S/c1-2-5-10(6-3-1)13-9-23-16-20-19-15(22(16)21-13)14-11-7-4-8-12(11)17-18-14/h1-3,5-6H,4,7-9H2,(H,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	US Patent	n/a	n/a	2.12E+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