BDBM458835 US10759792, Compound I-8

SMILES: NCCCNc1cccc(c1)-c1ccnc2[nH]c3ccccc3c12

InChI Key: InChIKey=PPQXCWKHQKECME-UHFFFAOYSA-N

Data: 1 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 2 hits for monomerid = 458835   

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))	BDBM458835 (US10759792, Compound I-8 | US11325908, Compound I-...) Show SMILES NCCCNc1cccc(c1)-c1ccnc2[nH]c3ccccc3c12 Show InChI InChI=1S/C20H20N4/c21-10-4-11-22-15-6-3-5-14(13-15)16-9-12-23-20-19(16)17-7-1-2-8-18(17)24-20/h1-3,5-9,12-13,22H,4,10-11,21H2,(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<100	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))	BDBM458835 (US10759792, Compound I-8 | US11325908, Compound I-...) Show SMILES NCCCNc1cccc(c1)-c1ccnc2[nH]c3ccccc3c12 Show InChI InChI=1S/C20H20N4/c21-10-4-11-22-15-6-3-5-14(13-15)16-9-12-23-20-19(16)17-7-1-2-8-18(17)24-20/h1-3,5-9,12-13,22H,4,10-11,21H2,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	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