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SMILES: CCn1nc(c(C(N)=O)c1N)-c1ccc2scnc2c1

InChI Key: InChIKey=VTGUKXAQUOKKSW-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50504961   

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
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50504961 (CHEMBL4561931) Show SMILES CCn1nc(c(C(N)=O)c1N)-c1ccc2scnc2c1 Show InChI InChI=1S/C13H13N5OS/c1-2-18-12(14)10(13(15)19)11(17-18)7-3-4-9-8(5-7)16-6-20-9/h3-6H,2,14H2,1H3,(H2,15,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of RIPK2 in MDP-stimulated human whole blood assessed as TNF-alpha level preincubated for 30 mins followed by MDP stimulation and measured...				ACS Med Chem Lett 10: 1518-1523 (2019) Article DOI: 10.1021/acsmedchemlett.9b00141
					More data for this Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50504961 (CHEMBL4561931) Show SMILES CCn1nc(c(C(N)=O)c1N)-c1ccc2scnc2c1 Show InChI InChI=1S/C13H13N5OS/c1-2-18-12(14)10(13(15)19)11(17-18)7-3-4-9-8(5-7)16-6-20-9/h3-6H,2,14H2,1H3,(H2,15,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full length FLAG/His-tagged RIPK2 (unknown origin) expressed in baculovirus expression system after 10 mins by fluorescent polarization...				ACS Med Chem Lett 10: 1518-1523 (2019) Article DOI: 10.1021/acsmedchemlett.9b00141
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50504961 (CHEMBL4561931) Show SMILES CCn1nc(c(C(N)=O)c1N)-c1ccc2scnc2c1 Show InChI InChI=1S/C13H13N5OS/c1-2-18-12(14)10(13(15)19)11(17-18)7-3-4-9-8(5-7)16-6-20-9/h3-6H,2,14H2,1H3,(H2,15,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full length His-Tev-tagged LCK (unknown origin) expressed in baculovirus expression system using Tamra-p34cdc2-derived peptide as subst...				ACS Med Chem Lett 10: 1518-1523 (2019) Article DOI: 10.1021/acsmedchemlett.9b00141
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50504961 (CHEMBL4561931) Show SMILES CCn1nc(c(C(N)=O)c1N)-c1ccc2scnc2c1 Show InChI InChI=1S/C13H13N5OS/c1-2-18-12(14)10(13(15)19)11(17-18)7-3-4-9-8(5-7)16-6-20-9/h3-6H,2,14H2,1H3,(H2,15,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of GST-6His-tagged VEGFR2 (unknown origin) using biotin-aminohexyl-EEEEYFELVAKKKK-NH2 peptide as substrate after 90 mins by HTRF assay				ACS Med Chem Lett 10: 1518-1523 (2019) Article DOI: 10.1021/acsmedchemlett.9b00141
					More data for this Ligand-Target Pair
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50504961 (CHEMBL4561931) Show SMILES CCn1nc(c(C(N)=O)c1N)-c1ccc2scnc2c1 Show InChI InChI=1S/C13H13N5OS/c1-2-18-12(14)10(13(15)19)11(17-18)7-3-4-9-8(5-7)16-6-20-9/h3-6H,2,14H2,1H3,(H2,15,19)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full length GST-tagged ALK5 (unknown origin) expressed in baculovirus expression system incubated for 2 mins by fluorescent polarizatio...				ACS Med Chem Lett 10: 1518-1523 (2019) Article DOI: 10.1021/acsmedchemlett.9b00141
					More data for this Ligand-Target Pair