BDBM489304 Example 3-3::US10961242, Compound 19

SMILES: CC(C)(CN1CCc2[nH]nnc2C1)C(=O)N1CCN(CC1)c1cnc(NC2Cc3ccccc3C2)nc1

InChI Key: InChIKey=MMXQBPXIJUTXHW-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 1 hit for monomerid = 489304   

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
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM489304 (Example 3-3 | US10961242, Compound 19) Show SMILES CC(C)(CN1CCc2[nH]nnc2C1)C(=O)N1CCN(CC1)c1cnc(NC2Cc3ccccc3C2)nc1 Show InChI InChI=1S/C27H35N9O/c1-27(2,18-34-8-7-23-24(17-34)32-33-31-23)25(37)36-11-9-35(10-12-36)22-15-28-26(29-16-22)30-21-13-19-5-3-4-6-20(19)14-21/h3-6,15-16,21H,7-14,17-18H2,1-2H3,(H,28,29,30)(H,31,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
LegoChem Biosciences, Inc. US Patent					Assay Description Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...				US Patent US10961242 (2021)
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