US11001595, Compound 2

SMILES: COc1ccccc1Sc1sc2nc(N)nc(N)c2c1C

InChI Key: InChIKey=ADXUMFJRTDBBMS-UHFFFAOYSA-N

Data: 6 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 = 497328   

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
Dihydrofolate reductase (Human pneumocystis pneumonia agent)	BDBM497328 (US11001595, Compound 2) Show SMILES COc1ccccc1Sc1sc2nc(N)nc(N)c2c1C Show InChI InChI=1S/C14H14N4OS2/c1-7-10-11(15)17-14(16)18-12(10)21-13(7)20-9-6-4-3-5-8(9)19-2/h3-6H,1-2H3,(H4,15,16,17,18)	MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	177	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University of The Holy Spirit US Patent					Assay Description TBD				US Patent US11001595 (2021)
					More data for this Ligand-Target Pair
Dihydrofolate reductase (Homo sapiens (Human))	BDBM497328 (US11001595, Compound 2) Show SMILES COc1ccccc1Sc1sc2nc(N)nc(N)c2c1C Show InChI InChI=1S/C14H14N4OS2/c1-7-10-11(15)17-14(16)18-12(10)21-13(7)20-9-6-4-3-5-8(9)19-2/h3-6H,1-2H3,(H4,15,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	624	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University of The Holy Spirit US Patent					Assay Description TBD				US Patent US11001595 (2021)
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM497328 (US11001595, Compound 2) Show SMILES COc1ccccc1Sc1sc2nc(N)nc(N)c2c1C Show InChI InChI=1S/C14H14N4OS2/c1-7-10-11(15)17-14(16)18-12(10)21-13(7)20-9-6-4-3-5-8(9)19-2/h3-6H,1-2H3,(H4,15,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University of The Holy Spirit US Patent					Assay Description TBD				US Patent US11001595 (2021)
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM497328 (US11001595, Compound 2) Show SMILES COc1ccccc1Sc1sc2nc(N)nc(N)c2c1C Show InChI InChI=1S/C14H14N4OS2/c1-7-10-11(15)17-14(16)18-12(10)21-13(7)20-9-6-4-3-5-8(9)19-2/h3-6H,1-2H3,(H4,15,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University of The Holy Spirit US Patent					Assay Description TBD				US Patent US11001595 (2021)
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 1 (Homo sapiens (Human))	BDBM497328 (US11001595, Compound 2) Show SMILES COc1ccccc1Sc1sc2nc(N)nc(N)c2c1C Show InChI InChI=1S/C14H14N4OS2/c1-7-10-11(15)17-14(16)18-12(10)21-13(7)20-9-6-4-3-5-8(9)19-2/h3-6H,1-2H3,(H4,15,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60E+5	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University of The Holy Spirit US Patent					Assay Description TBD				US Patent US11001595 (2021)
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM497328 (US11001595, Compound 2) Show SMILES COc1ccccc1Sc1sc2nc(N)nc(N)c2c1C Show InChI InChI=1S/C14H14N4OS2/c1-7-10-11(15)17-14(16)18-12(10)21-13(7)20-9-6-4-3-5-8(9)19-2/h3-6H,1-2H3,(H4,15,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University of The Holy Spirit US Patent					Assay Description TBD				US Patent US11001595 (2021)
					More data for this Ligand-Target Pair