Compile Data Set for Download or QSAR

Found 9 hits of ic50 for monomerid = 121389   

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 (Homo sapiens (Human))	BDBM121389 (US8722890, 4) Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cnn(CC(C)(C)O)c2)cc1 Show InChI InChI=1S/C28H28N6O3S/c1-28(2,36)16-34-14-18(12-31-34)22-13-30-26(29)24-23(15-38-25(22)24)17-4-6-19(7-5-17)32-27(35)33-20-8-10-21(37-3)11-9-20/h4-15,36H,16H2,1-3H3,(H2,29,30)(H2,32,33,35)	PDB 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	1.93	n/a	n/a	n/a	n/a	7.1	25
AbbVie Inc. US Patent					Assay Description To determine the activity of the various kinases, a homogenous time-resolved fluorescence (HTRF) in vitro kinase assay was used. (Mathis, G., HTRF(R)...				US Patent US8722890 (2014) BindingDB Entry DOI: 10.7270/Q21Z4327
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 1 (Homo sapiens (Human))	BDBM121389 (US8722890, 4) Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cnn(CC(C)(C)O)c2)cc1 Show InChI InChI=1S/C28H28N6O3S/c1-28(2,36)16-34-14-18(12-31-34)22-13-30-26(29)24-23(15-38-25(22)24)17-4-6-19(7-5-17)32-27(35)33-20-8-10-21(37-3)11-9-20/h4-15,36H,16H2,1-3H3,(H2,29,30)(H2,32,33,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.29	n/a	n/a	n/a	n/a	7.1	25
AbbVie Inc. US Patent					Assay Description To determine the activity of the various kinases, a homogenous time-resolved fluorescence (HTRF) in vitro kinase assay was used. (Mathis, G., HTRF(R)...				US Patent US8722890 (2014) BindingDB Entry DOI: 10.7270/Q21Z4327
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM121389 (US8722890, 4) Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cnn(CC(C)(C)O)c2)cc1 Show InChI InChI=1S/C28H28N6O3S/c1-28(2,36)16-34-14-18(12-31-34)22-13-30-26(29)24-23(15-38-25(22)24)17-4-6-19(7-5-17)32-27(35)33-20-8-10-21(37-3)11-9-20/h4-15,36H,16H2,1-3H3,(H2,29,30)(H2,32,33,35)	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	5.01	n/a	n/a	n/a	n/a	7.1	25
AbbVie Inc. US Patent					Assay Description To determine the activity of the various kinases, a homogenous time-resolved fluorescence (HTRF) in vitro kinase assay was used. (Mathis, G., HTRF(R)...				US Patent US8722890 (2014) BindingDB Entry DOI: 10.7270/Q21Z4327
					More data for this Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor (Homo sapiens (Human))	BDBM121389 (US8722890, 4) Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cnn(CC(C)(C)O)c2)cc1 Show InChI InChI=1S/C28H28N6O3S/c1-28(2,36)16-34-14-18(12-31-34)22-13-30-26(29)24-23(15-38-25(22)24)17-4-6-19(7-5-17)32-27(35)33-20-8-10-21(37-3)11-9-20/h4-15,36H,16H2,1-3H3,(H2,29,30)(H2,32,33,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7.87	n/a	n/a	n/a	n/a	7.1	25
AbbVie Inc. US Patent					Assay Description To determine the activity of the various kinases, a homogenous time-resolved fluorescence (HTRF) in vitro kinase assay was used. (Mathis, G., HTRF(R)...				US Patent US8722890 (2014) BindingDB Entry DOI: 10.7270/Q21Z4327
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM121389 (US8722890, 4) Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cnn(CC(C)(C)O)c2)cc1 Show InChI InChI=1S/C28H28N6O3S/c1-28(2,36)16-34-14-18(12-31-34)22-13-30-26(29)24-23(15-38-25(22)24)17-4-6-19(7-5-17)32-27(35)33-20-8-10-21(37-3)11-9-20/h4-15,36H,16H2,1-3H3,(H2,29,30)(H2,32,33,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	14.8	n/a	n/a	n/a	n/a	7.4	n/a
AbbVie Inc. US Patent					Assay Description To determine Aurora B activity of representative compounds of the invention, Active Aurora B enzyme (recombinant residues 1-344) and INCENP (recombin...				US Patent US8722890 (2014) BindingDB Entry DOI: 10.7270/Q21Z4327
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM121389 (US8722890, 4) Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cnn(CC(C)(C)O)c2)cc1 Show InChI InChI=1S/C28H28N6O3S/c1-28(2,36)16-34-14-18(12-31-34)22-13-30-26(29)24-23(15-38-25(22)24)17-4-6-19(7-5-17)32-27(35)33-20-8-10-21(37-3)11-9-20/h4-15,36H,16H2,1-3H3,(H2,29,30)(H2,32,33,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	53.0	n/a	n/a	n/a	n/a	7.1	25
AbbVie Inc. US Patent					Assay Description To determine the activity of the various kinases, a homogenous time-resolved fluorescence (HTRF) in vitro kinase assay was used. (Mathis, G., HTRF(R)...				US Patent US8722890 (2014) BindingDB Entry DOI: 10.7270/Q21Z4327
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM121389 (US8722890, 4) Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cnn(CC(C)(C)O)c2)cc1 Show InChI InChI=1S/C28H28N6O3S/c1-28(2,36)16-34-14-18(12-31-34)22-13-30-26(29)24-23(15-38-25(22)24)17-4-6-19(7-5-17)32-27(35)33-20-8-10-21(37-3)11-9-20/h4-15,36H,16H2,1-3H3,(H2,29,30)(H2,32,33,35)	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	3.62E+3	n/a	n/a	n/a	n/a	7.4	n/a
AbbVie Inc. US Patent					Assay Description To determine Aurora A and C activity of representative compounds of the invention, Active Aurora A or C enzyme was incubated in wells of a 384 well p...				US Patent US8722890 (2014) BindingDB Entry DOI: 10.7270/Q21Z4327
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM121389 (US8722890, 4) Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cnn(CC(C)(C)O)c2)cc1 Show InChI InChI=1S/C28H28N6O3S/c1-28(2,36)16-34-14-18(12-31-34)22-13-30-26(29)24-23(15-38-25(22)24)17-4-6-19(7-5-17)32-27(35)33-20-8-10-21(37-3)11-9-20/h4-15,36H,16H2,1-3H3,(H2,29,30)(H2,32,33,35)	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	>1.00E+4	n/a	n/a	n/a	n/a	7.4	37
AbbVie Inc. US Patent					Assay Description Assays (200 μL final volume) were carried out in NUNC polypropylene deep well plates in 50 mM potassium phosphate buffer, pH 7.4, using a microt...				US Patent US8722890 (2014) BindingDB Entry DOI: 10.7270/Q21Z4327
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM121389 (US8722890, 4) Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cnn(CC(C)(C)O)c2)cc1 Show InChI InChI=1S/C28H28N6O3S/c1-28(2,36)16-34-14-18(12-31-34)22-13-30-26(29)24-23(15-38-25(22)24)17-4-6-19(7-5-17)32-27(35)33-20-8-10-21(37-3)11-9-20/h4-15,36H,16H2,1-3H3,(H2,29,30)(H2,32,33,35)	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	>1.00E+4	n/a	n/a	n/a	n/a	7.4	37
AbbVie Inc. US Patent					Assay Description Assays (200 μL final volume) were carried out in NUNC polypropylene deep well plates in 50 mM potassium phosphate buffer, pH 7.4, using a microt...				US Patent US8722890 (2014) BindingDB Entry DOI: 10.7270/Q21Z4327
					More data for this Ligand-Target Pair