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SMILES: COc1nc(C)ccc1-c1cnc2sc(nn12)N1CCC(O)(CN)CC1

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 597561   

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-type tyrosine-protein kinase FLT3 [K633Q] (Homo sapiens (Human))	BDBM597561 (US11597733, Example 4-13) Show SMILES COc1nc(C)ccc1-c1cnc2sc(nn12)N1CCC(O)(CN)CC1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding reactions were assembled by combining kinases, liganded affinity beads, and test compounds in 1× binding buffer (20% SeaBlock, 0.17×PBS, 0.05...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5M06
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM597561 (US11597733, Example 4-13) Show SMILES COc1nc(C)ccc1-c1cnc2sc(nn12)N1CCC(O)(CN)CC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01995 BindingDB Entry DOI: 10.7270/Q2H70KXT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM597561 (US11597733, Example 4-13) Show SMILES COc1nc(C)ccc1-c1cnc2sc(nn12)N1CCC(O)(CN)CC1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding reactions were assembled by combining kinases, liganded affinity beads, and test compounds in 1× binding buffer (20% SeaBlock, 0.17×PBS, 0.05...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5M06
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM597561 (US11597733, Example 4-13) Show SMILES COc1nc(C)ccc1-c1cnc2sc(nn12)N1CCC(O)(CN)CC1 Show InChI	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	n/a	>100	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding reactions were assembled by combining kinases, liganded affinity beads, and test compounds in 1× binding buffer (20% SeaBlock, 0.17×PBS, 0.05...				Citation and Details BindingDB Entry DOI: 10.7270/Q2KW5M06
					More data for this Ligand-Target Pair