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SMILES: NC(=O)c1c2NCCCCCn2nc1-c1ccc2scnc2c1

InChI Key: InChIKey=KKYOODHRVFHQHE-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50504981   

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))	BDBM50504981 (CHEMBL4475766) Show SMILES NC(=O)c1c2NCCCCCn2nc1-c1ccc2scnc2c1 Show InChI InChI=1S/C16H17N5OS/c17-15(22)13-14(10-4-5-12-11(8-10)19-9-23-12)20-21-7-3-1-2-6-18-16(13)21/h4-5,8-9,18H,1-3,6-7H2,(H2,17,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	370	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
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50504981 (CHEMBL4475766) Show SMILES NC(=O)c1c2NCCCCCn2nc1-c1ccc2scnc2c1 Show InChI InChI=1S/C16H17N5OS/c17-15(22)13-14(10-4-5-12-11(8-10)19-9-23-12)20-21-7-3-1-2-6-18-16(13)21/h4-5,8-9,18H,1-3,6-7H2,(H2,17,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.26E+3	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
Receptor-interacting serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50504981 (CHEMBL4475766) Show SMILES NC(=O)c1c2NCCCCCn2nc1-c1ccc2scnc2c1 Show InChI InChI=1S/C16H17N5OS/c17-15(22)13-14(10-4-5-12-11(8-10)19-9-23-12)20-21-7-3-1-2-6-18-16(13)21/h4-5,8-9,18H,1-3,6-7H2,(H2,17,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	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
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50504981 (CHEMBL4475766) Show SMILES NC(=O)c1c2NCCCCCn2nc1-c1ccc2scnc2c1 Show InChI InChI=1S/C16H17N5OS/c17-15(22)13-14(10-4-5-12-11(8-10)19-9-23-12)20-21-7-3-1-2-6-18-16(13)21/h4-5,8-9,18H,1-3,6-7H2,(H2,17,22)	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	3.20E+3	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
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50504981 (CHEMBL4475766) Show SMILES NC(=O)c1c2NCCCCCn2nc1-c1ccc2scnc2c1 Show InChI InChI=1S/C16H17N5OS/c17-15(22)13-14(10-4-5-12-11(8-10)19-9-23-12)20-21-7-3-1-2-6-18-16(13)21/h4-5,8-9,18H,1-3,6-7H2,(H2,17,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	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