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SMILES: C1CN(CCN1)c1cncc(c1)-c1ccnc2[nH]c3ccccc3c12

InChI Key: InChIKey=QNKWYSZVYQPLCD-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 458799   

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
Calcium/calmodulin-dependent protein kinase type II subunit gamma (Homo sapiens (Human))	BDBM458799 (US10759792, Compound 9a | US11325908, Compound 9a) Show SMILES C1CN(CCN1)c1cncc(c1)-c1ccnc2[nH]c3ccccc3c12 Show InChI InChI=1S/C20H19N5/c1-2-4-18-17(3-1)19-16(5-6-23-20(19)24-18)14-11-15(13-22-12-14)25-9-7-21-8-10-25/h1-6,11-13,21H,7-10H2,(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit delta (Homo sapiens (Human))	BDBM458799 (US10759792, Compound 9a | US11325908, Compound 9a) Show SMILES C1CN(CCN1)c1cncc(c1)-c1ccnc2[nH]c3ccccc3c12 Show InChI InChI=1S/C20H19N5/c1-2-4-18-17(3-1)19-16(5-6-23-20(19)24-18)14-11-15(13-22-12-14)25-9-7-21-8-10-25/h1-6,11-13,21H,7-10H2,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	625	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University US Patent					Assay Description Compounds were added in 5 uL volume to wells in UV transparent 96-well plates (½ area well size). The final compound concentrations tested ranged fro...				US Patent US10759792 (2020)
					More data for this Ligand-Target Pair