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SMILES: COc1ccc2[nH]nc(C(=O)NCC3CCN(CCc4ccc(O)cc4)CC3)c2c1

InChI Key: InChIKey=SOKOQHNUYVVYND-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 186184   

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
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM186184 (US9163013, 1) Show SMILES COc1ccc2[nH]nc(C(=O)NCC3CCN(CCc4ccc(O)cc4)CC3)c2c1 Show InChI InChI=1S/C23H28N4O3/c1-30-19-6-7-21-20(14-19)22(26-25-21)23(29)24-15-17-9-12-27(13-10-17)11-8-16-2-4-18(28)5-3-16/h2-7,14,17,28H,8-13,15H2,1H3,(H,24,29)(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	22
AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. US Patent					Assay Description Activity on human GSK-3beta was assessed using the following methods (according to Meijer et al., Chem. Biol., 2003-10:1255-1266).In a first screenin...				US Patent US9163013 (2015) BindingDB Entry DOI: 10.7270/Q2PN94DT
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 16 (Homo sapiens (Human))	BDBM186184 (US9163013, 1) Show SMILES COc1ccc2[nH]nc(C(=O)NCC3CCN(CCc4ccc(O)cc4)CC3)c2c1 Show InChI InChI=1S/C23H28N4O3/c1-30-19-6-7-21-20(14-19)22(26-25-21)23(29)24-15-17-9-12-27(13-10-17)11-8-16-2-4-18(28)5-3-16/h2-7,14,17,28H,8-13,15H2,1H3,(H,24,29)(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	22
AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. US Patent					Assay Description Compound 1 was also assayed to determine the IC50 values for three different kinases (PCTAIRE1, DYRK1a, and CDK2) in comparison to Gsk3beta. The ass...				US Patent US9163013 (2015) BindingDB Entry DOI: 10.7270/Q2PN94DT
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM186184 (US9163013, 1) Show SMILES COc1ccc2[nH]nc(C(=O)NCC3CCN(CCc4ccc(O)cc4)CC3)c2c1 Show InChI InChI=1S/C23H28N4O3/c1-30-19-6-7-21-20(14-19)22(26-25-21)23(29)24-15-17-9-12-27(13-10-17)11-8-16-2-4-18(28)5-3-16/h2-7,14,17,28H,8-13,15H2,1H3,(H,24,29)(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan Institute of Technology Curated by ChEMBL					Assay Description Inhibitory potency against isolated epidermal growth factor receptor (EGFR) from human A431 carcinoma cells				Eur J Med Chem 164: 448-470 (2019) Article DOI: 10.1007/s00044-005-0126-y BindingDB Entry DOI: 10.7270/Q2WH2SVB
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM186184 (US9163013, 1) Show SMILES COc1ccc2[nH]nc(C(=O)NCC3CCN(CCc4ccc(O)cc4)CC3)c2c1 Show InChI InChI=1S/C23H28N4O3/c1-30-19-6-7-21-20(14-19)22(26-25-21)23(29)24-15-17-9-12-27(13-10-17)11-8-16-2-4-18(28)5-3-16/h2-7,14,17,28H,8-13,15H2,1H3,(H,24,29)(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.60E+4	n/a	n/a	n/a	n/a	n/a	22
AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. US Patent					Assay Description Compound 1 was also assayed to determine the IC50 values for three different kinases (PCTAIRE1, DYRK1a, and CDK2) in comparison to Gsk3beta. The ass...				US Patent US9163013 (2015) BindingDB Entry DOI: 10.7270/Q2PN94DT
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM186184 (US9163013, 1) Show SMILES COc1ccc2[nH]nc(C(=O)NCC3CCN(CCc4ccc(O)cc4)CC3)c2c1 Show InChI InChI=1S/C23H28N4O3/c1-30-19-6-7-21-20(14-19)22(26-25-21)23(29)24-15-17-9-12-27(13-10-17)11-8-16-2-4-18(28)5-3-16/h2-7,14,17,28H,8-13,15H2,1H3,(H,24,29)(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	22
AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. US Patent					Assay Description Compound 1 was also assayed to determine the IC50 values for three different kinases (PCTAIRE1, DYRK1a, and CDK2) in comparison to Gsk3beta. The ass...				US Patent US9163013 (2015) BindingDB Entry DOI: 10.7270/Q2PN94DT
					More data for this Ligand-Target Pair