Compile Data Set for Download or QSAR

Found 54 hits Enz. Inhib. hit(s) with all data for entry = 6303   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50381716 (ABT-348 | ILORASERTIB | US8722890, 1 | US8722890, ...) Show SMILES Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12 Show InChI InChI=1S/C25H21FN6O2S/c26-17-2-1-3-19(10-17)31-25(34)30-18-6-4-15(5-7-18)21-14-35-23-20(12-28-24(27)22(21)23)16-11-29-32(13-16)8-9-33/h1-7,10-14,33H,8-9H2,(H2,27,28)(H2,30,31,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.13	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
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM121390 (US8722890, 5) Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cnn(C[C@H](O)CO)c2)cc1 Show InChI InChI=1S/C27H26N6O4S/c1-37-21-8-6-19(7-9-21)32-27(36)31-18-4-2-16(3-5-18)23-15-38-25-22(11-29-26(28)24(23)25)17-10-30-33(12-17)13-20(35)14-34/h2-12,15,20,34-35H,13-14H2,1H3,(H2,28,29)(H2,31,32,36)/t20-/m0/s1	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	1.22	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))	BDBM50381716 (ABT-348 | ILORASERTIB | US8722890, 1 | US8722890, ...) Show SMILES Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12 Show InChI InChI=1S/C25H21FN6O2S/c26-17-2-1-3-19(10-17)31-25(34)30-18-6-4-15(5-7-18)21-14-35-23-20(12-28-24(27)22(21)23)16-11-29-32(13-16)8-9-33/h1-7,10-14,33H,8-9H2,(H2,27,28)(H2,30,31,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.25	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
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50381716 (ABT-348 | ILORASERTIB | US8722890, 1 | US8722890, ...) Show SMILES Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12 Show InChI InChI=1S/C25H21FN6O2S/c26-17-2-1-3-19(10-17)31-25(34)30-18-6-4-15(5-7-18)21-14-35-23-20(12-28-24(27)22(21)23)16-11-29-32(13-16)8-9-33/h1-7,10-14,33H,8-9H2,(H2,27,28)(H2,30,31,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.30	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))	BDBM121390 (US8722890, 5) Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cnn(C[C@H](O)CO)c2)cc1 Show InChI InChI=1S/C27H26N6O4S/c1-37-21-8-6-19(7-9-21)32-27(36)31-18-4-2-16(3-5-18)23-15-38-25-22(11-29-26(28)24(23)25)17-10-30-33(12-17)13-20(35)14-34/h2-12,15,20,34-35H,13-14H2,1H3,(H2,28,29)(H2,31,32,36)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.34	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))	BDBM121390 (US8722890, 5) Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cnn(C[C@H](O)CO)c2)cc1 Show InChI InChI=1S/C27H26N6O4S/c1-37-21-8-6-19(7-9-21)32-27(36)31-18-4-2-16(3-5-18)23-15-38-25-22(11-29-26(28)24(23)25)17-10-30-33(12-17)13-20(35)14-34/h2-12,15,20,34-35H,13-14H2,1H3,(H2,28,29)(H2,31,32,36)/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.45	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))	BDBM50381716 (ABT-348 | ILORASERTIB | US8722890, 1 | US8722890, ...) Show SMILES Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12 Show InChI InChI=1S/C25H21FN6O2S/c26-17-2-1-3-19(10-17)31-25(34)30-18-6-4-15(5-7-18)21-14-35-23-20(12-28-24(27)22(21)23)16-11-29-32(13-16)8-9-33/h1-7,10-14,33H,8-9H2,(H2,27,28)(H2,30,31,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.59	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))	BDBM121388 (US8722890, 3) Show SMILES C[C@H](O)Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(C)c2)cc1 Show InChI InChI=1S/C27H26N6O2S/c1-16-4-3-5-21(10-16)32-27(35)31-20-8-6-18(7-9-20)23-15-36-25-22(12-29-26(28)24(23)25)19-11-30-33(14-19)13-17(2)34/h3-12,14-15,17,34H,13H2,1-2H3,(H2,28,29)(H2,31,32,35)/t17-/m0/s1	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	1.60	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
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50381698 (CHEMBL1969102 | US8722890, 6) Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cn[nH]c2)c1 Show InChI InChI=1S/C24H20N6OS/c1-14-3-2-4-18(9-14)30-24(31)29-17-7-5-15(6-8-17)20-13-32-22-19(16-10-27-28-11-16)12-26-23(25)21(20)22/h2-13H,1H3,(H2,25,26)(H,27,28)(H2,29,30,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.81	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))	BDBM121390 (US8722890, 5) Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cnn(C[C@H](O)CO)c2)cc1 Show InChI InChI=1S/C27H26N6O4S/c1-37-21-8-6-19(7-9-21)32-27(36)31-18-4-2-16(3-5-18)23-15-38-25-22(11-29-26(28)24(23)25)17-10-30-33(12-17)13-20(35)14-34/h2-12,15,20,34-35H,13-14H2,1H3,(H2,28,29)(H2,31,32,36)/t20-/m0/s1	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	1.83	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))	BDBM50381698 (CHEMBL1969102 | US8722890, 6) Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cn[nH]c2)c1 Show InChI InChI=1S/C24H20N6OS/c1-14-3-2-4-18(9-14)30-24(31)29-17-7-5-15(6-8-17)20-13-32-22-19(16-10-27-28-11-16)12-26-23(25)21(20)22/h2-13H,1H3,(H2,25,26)(H,27,28)(H2,29,30,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.90	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
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))	BDBM121388 (US8722890, 3) Show SMILES C[C@H](O)Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(C)c2)cc1 Show InChI InChI=1S/C27H26N6O2S/c1-16-4-3-5-21(10-16)32-27(35)31-20-8-6-18(7-9-20)23-15-36-25-22(12-29-26(28)24(23)25)19-11-30-33(14-19)13-17(2)34/h3-12,14-15,17,34H,13H2,1-2H3,(H2,28,29)(H2,31,32,35)/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.04	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))	BDBM50381716 (ABT-348 | ILORASERTIB | US8722890, 1 | US8722890, ...) Show SMILES Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12 Show InChI InChI=1S/C25H21FN6O2S/c26-17-2-1-3-19(10-17)31-25(34)30-18-6-4-15(5-7-18)21-14-35-23-20(12-28-24(27)22(21)23)16-11-29-32(13-16)8-9-33/h1-7,10-14,33H,8-9H2,(H2,27,28)(H2,30,31,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.10	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
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM121388 (US8722890, 3) Show SMILES C[C@H](O)Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(C)c2)cc1 Show InChI InChI=1S/C27H26N6O2S/c1-16-4-3-5-21(10-16)32-27(35)31-20-8-6-18(7-9-20)23-15-36-25-22(12-29-26(28)24(23)25)19-11-30-33(14-19)13-17(2)34/h3-12,14-15,17,34H,13H2,1-2H3,(H2,28,29)(H2,31,32,35)/t17-/m0/s1	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	2.18	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))	BDBM50381698 (CHEMBL1969102 | US8722890, 6) Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cn[nH]c2)c1 Show InChI InChI=1S/C24H20N6OS/c1-14-3-2-4-18(9-14)30-24(31)29-17-7-5-15(6-8-17)20-13-32-22-19(16-10-27-28-11-16)12-26-23(25)21(20)22/h2-13H,1H3,(H2,25,26)(H,27,28)(H2,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.18	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))	BDBM50381716 (ABT-348 | ILORASERTIB | US8722890, 1 | US8722890, ...) Show SMILES Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12 Show InChI InChI=1S/C25H21FN6O2S/c26-17-2-1-3-19(10-17)31-25(34)30-18-6-4-15(5-7-18)21-14-35-23-20(12-28-24(27)22(21)23)16-11-29-32(13-16)8-9-33/h1-7,10-14,33H,8-9H2,(H2,27,28)(H2,30,31,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.22	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))	BDBM50381716 (ABT-348 | ILORASERTIB | US8722890, 1 | US8722890, ...) Show SMILES Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12 Show InChI InChI=1S/C25H21FN6O2S/c26-17-2-1-3-19(10-17)31-25(34)30-18-6-4-15(5-7-18)21-14-35-23-20(12-28-24(27)22(21)23)16-11-29-32(13-16)8-9-33/h1-7,10-14,33H,8-9H2,(H2,27,28)(H2,30,31,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.65	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))	BDBM50381698 (CHEMBL1969102 | US8722890, 6) Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cn[nH]c2)c1 Show InChI InChI=1S/C24H20N6OS/c1-14-3-2-4-18(9-14)30-24(31)29-17-7-5-15(6-8-17)20-13-32-22-19(16-10-27-28-11-16)12-26-23(25)21(20)22/h2-13H,1H3,(H2,25,26)(H,27,28)(H2,29,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.74	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))	BDBM50381716 (ABT-348 | ILORASERTIB | US8722890, 1 | US8722890, ...) Show SMILES Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12 Show InChI InChI=1S/C25H21FN6O2S/c26-17-2-1-3-19(10-17)31-25(34)30-18-6-4-15(5-7-18)21-14-35-23-20(12-28-24(27)22(21)23)16-11-29-32(13-16)8-9-33/h1-7,10-14,33H,8-9H2,(H2,27,28)(H2,30,31,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.42	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
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50381698 (CHEMBL1969102 | US8722890, 6) Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cn[nH]c2)c1 Show InChI InChI=1S/C24H20N6OS/c1-14-3-2-4-18(9-14)30-24(31)29-17-7-5-15(6-8-17)20-13-32-22-19(16-10-27-28-11-16)12-26-23(25)21(20)22/h2-13H,1H3,(H2,25,26)(H,27,28)(H2,29,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.28	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))	BDBM121388 (US8722890, 3) Show SMILES C[C@H](O)Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(C)c2)cc1 Show InChI InChI=1S/C27H26N6O2S/c1-16-4-3-5-21(10-16)32-27(35)31-20-8-6-18(7-9-20)23-15-36-25-22(12-29-26(28)24(23)25)19-11-30-33(14-19)13-17(2)34/h3-12,14-15,17,34H,13H2,1-2H3,(H2,28,29)(H2,31,32,35)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.62	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))	BDBM50381716 (ABT-348 | ILORASERTIB | US8722890, 1 | US8722890, ...) Show SMILES Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12 Show InChI InChI=1S/C25H21FN6O2S/c26-17-2-1-3-19(10-17)31-25(34)30-18-6-4-15(5-7-18)21-14-35-23-20(12-28-24(27)22(21)23)16-11-29-32(13-16)8-9-33/h1-7,10-14,33H,8-9H2,(H2,27,28)(H2,30,31,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.73	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
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))	BDBM50381716 (ABT-348 | ILORASERTIB | US8722890, 1 | US8722890, ...) Show SMILES Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12 Show InChI InChI=1S/C25H21FN6O2S/c26-17-2-1-3-19(10-17)31-25(34)30-18-6-4-15(5-7-18)21-14-35-23-20(12-28-24(27)22(21)23)16-11-29-32(13-16)8-9-33/h1-7,10-14,33H,8-9H2,(H2,27,28)(H2,30,31,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7.87	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
Aurora kinase B (Homo sapiens (Human))	BDBM50381698 (CHEMBL1969102 | US8722890, 6) Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cn[nH]c2)c1 Show InChI InChI=1S/C24H20N6OS/c1-14-3-2-4-18(9-14)30-24(31)29-17-7-5-15(6-8-17)20-13-32-22-19(16-10-27-28-11-16)12-26-23(25)21(20)22/h2-13H,1H3,(H2,25,26)(H,27,28)(H2,29,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.44	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
Aurora kinase B (Homo sapiens (Human))	BDBM121388 (US8722890, 3) Show SMILES C[C@H](O)Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(C)c2)cc1 Show InChI InChI=1S/C27H26N6O2S/c1-16-4-3-5-21(10-16)32-27(35)31-20-8-6-18(7-9-20)23-15-36-25-22(12-29-26(28)24(23)25)19-11-30-33(14-19)13-17(2)34/h3-12,14-15,17,34H,13H2,1-2H3,(H2,28,29)(H2,31,32,35)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	11.2	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))	BDBM121390 (US8722890, 5) Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cnn(C[C@H](O)CO)c2)cc1 Show InChI InChI=1S/C27H26N6O4S/c1-37-21-8-6-19(7-9-21)32-27(36)31-18-4-2-16(3-5-18)23-15-38-25-22(11-29-26(28)24(23)25)17-10-30-33(12-17)13-20(35)14-34/h2-12,15,20,34-35H,13-14H2,1H3,(H2,28,29)(H2,31,32,36)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12.6	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))	BDBM50381716 (ABT-348 | ILORASERTIB | US8722890, 1 | US8722890, ...) Show SMILES Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12 Show InChI InChI=1S/C25H21FN6O2S/c26-17-2-1-3-19(10-17)31-25(34)30-18-6-4-15(5-7-18)21-14-35-23-20(12-28-24(27)22(21)23)16-11-29-32(13-16)8-9-33/h1-7,10-14,33H,8-9H2,(H2,27,28)(H2,30,31,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	19.5	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
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM121388 (US8722890, 3) Show SMILES C[C@H](O)Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(C)c2)cc1 Show InChI InChI=1S/C27H26N6O2S/c1-16-4-3-5-21(10-16)32-27(35)31-20-8-6-18(7-9-20)23-15-36-25-22(12-29-26(28)24(23)25)19-11-30-33(14-19)13-17(2)34/h3-12,14-15,17,34H,13H2,1-2H3,(H2,28,29)(H2,31,32,35)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	27.1	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
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50381716 (ABT-348 | ILORASERTIB | US8722890, 1 | US8722890, ...) Show SMILES Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12 Show InChI InChI=1S/C25H21FN6O2S/c26-17-2-1-3-19(10-17)31-25(34)30-18-6-4-15(5-7-18)21-14-35-23-20(12-28-24(27)22(21)23)16-11-29-32(13-16)8-9-33/h1-7,10-14,33H,8-9H2,(H2,27,28)(H2,30,31,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	27.3	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))	BDBM121390 (US8722890, 5) Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cnn(C[C@H](O)CO)c2)cc1 Show InChI InChI=1S/C27H26N6O4S/c1-37-21-8-6-19(7-9-21)32-27(36)31-18-4-2-16(3-5-18)23-15-38-25-22(11-29-26(28)24(23)25)17-10-30-33(12-17)13-20(35)14-34/h2-12,15,20,34-35H,13-14H2,1H3,(H2,28,29)(H2,31,32,36)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	28.9	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))	BDBM121388 (US8722890, 3) Show SMILES C[C@H](O)Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(C)c2)cc1 Show InChI InChI=1S/C27H26N6O2S/c1-16-4-3-5-21(10-16)32-27(35)31-20-8-6-18(7-9-20)23-15-36-25-22(12-29-26(28)24(23)25)19-11-30-33(14-19)13-17(2)34/h3-12,14-15,17,34H,13H2,1-2H3,(H2,28,29)(H2,31,32,35)/t17-/m0/s1	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	248	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))	BDBM50381698 (CHEMBL1969102 | US8722890, 6) Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cn[nH]c2)c1 Show InChI InChI=1S/C24H20N6OS/c1-14-3-2-4-18(9-14)30-24(31)29-17-7-5-15(6-8-17)20-13-32-22-19(16-10-27-28-11-16)12-26-23(25)21(20)22/h2-13H,1H3,(H2,25,26)(H,27,28)(H2,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	300	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
Aurora kinase A (Homo sapiens (Human))	BDBM50381698 (CHEMBL1969102 | US8722890, 6) Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cn[nH]c2)c1 Show InChI InChI=1S/C24H20N6OS/c1-14-3-2-4-18(9-14)30-24(31)29-17-7-5-15(6-8-17)20-13-32-22-19(16-10-27-28-11-16)12-26-23(25)21(20)22/h2-13H,1H3,(H2,25,26)(H,27,28)(H2,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	357	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
Aurora kinase A (Homo sapiens (Human))	BDBM121390 (US8722890, 5) Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cnn(C[C@H](O)CO)c2)cc1 Show InChI InChI=1S/C27H26N6O4S/c1-37-21-8-6-19(7-9-21)32-27(36)31-18-4-2-16(3-5-18)23-15-38-25-22(11-29-26(28)24(23)25)17-10-30-33(12-17)13-20(35)14-34/h2-12,15,20,34-35H,13-14H2,1H3,(H2,28,29)(H2,31,32,36)/t20-/m0/s1	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	570	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
Aurora kinase A (Homo sapiens (Human))	BDBM50381716 (ABT-348 | ILORASERTIB | US8722890, 1 | US8722890, ...) Show SMILES Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12 Show InChI InChI=1S/C25H21FN6O2S/c26-17-2-1-3-19(10-17)31-25(34)30-18-6-4-15(5-7-18)21-14-35-23-20(12-28-24(27)22(21)23)16-11-29-32(13-16)8-9-33/h1-7,10-14,33H,8-9H2,(H2,27,28)(H2,30,31,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	675	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))	BDBM50381698 (CHEMBL1969102 | US8722890, 6) Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cn[nH]c2)c1 Show InChI InChI=1S/C24H20N6OS/c1-14-3-2-4-18(9-14)30-24(31)29-17-7-5-15(6-8-17)20-13-32-22-19(16-10-27-28-11-16)12-26-23(25)21(20)22/h2-13H,1H3,(H2,25,26)(H,27,28)(H2,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	760	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
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
Aurora kinase A (Homo sapiens (Human))	BDBM50381716 (ABT-348 | ILORASERTIB | US8722890, 1 | US8722890, ...) Show SMILES Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12 Show InChI InChI=1S/C25H21FN6O2S/c26-17-2-1-3-19(10-17)31-25(34)30-18-6-4-15(5-7-18)21-14-35-23-20(12-28-24(27)22(21)23)16-11-29-32(13-16)8-9-33/h1-7,10-14,33H,8-9H2,(H2,27,28)(H2,30,31,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.74E+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))	BDBM50381716 (ABT-348 | ILORASERTIB | US8722890, 1 | US8722890, ...) Show SMILES Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12 Show InChI InChI=1S/C25H21FN6O2S/c26-17-2-1-3-19(10-17)31-25(34)30-18-6-4-15(5-7-18)21-14-35-23-20(12-28-24(27)22(21)23)16-11-29-32(13-16)8-9-33/h1-7,10-14,33H,8-9H2,(H2,27,28)(H2,30,31,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE 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))	BDBM50381716 (ABT-348 | ILORASERTIB | US8722890, 1 | US8722890, ...) Show SMILES Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12 Show InChI InChI=1S/C25H21FN6O2S/c26-17-2-1-3-19(10-17)31-25(34)30-18-6-4-15(5-7-18)21-14-35-23-20(12-28-24(27)22(21)23)16-11-29-32(13-16)8-9-33/h1-7,10-14,33H,8-9H2,(H2,27,28)(H2,30,31,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE 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))	BDBM121388 (US8722890, 3) Show SMILES C[C@H](O)Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(C)c2)cc1 Show InChI InChI=1S/C27H26N6O2S/c1-16-4-3-5-21(10-16)32-27(35)31-20-8-6-18(7-9-20)23-15-36-25-22(12-29-26(28)24(23)25)19-11-30-33(14-19)13-17(2)34/h3-12,14-15,17,34H,13H2,1-2H3,(H2,28,29)(H2,31,32,35)/t17-/m0/s1	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))	BDBM121388 (US8722890, 3) Show SMILES C[C@H](O)Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(NC(=O)Nc2cccc(C)c2)cc1 Show InChI InChI=1S/C27H26N6O2S/c1-16-4-3-5-21(10-16)32-27(35)31-20-8-6-18(7-9-20)23-15-36-25-22(12-29-26(28)24(23)25)19-11-30-33(14-19)13-17(2)34/h3-12,14-15,17,34H,13H2,1-2H3,(H2,28,29)(H2,31,32,35)/t17-/m0/s1	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))	BDBM50381716 (ABT-348 | ILORASERTIB | US8722890, 1 | US8722890, ...) Show SMILES Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12 Show InChI InChI=1S/C25H21FN6O2S/c26-17-2-1-3-19(10-17)31-25(34)30-18-6-4-15(5-7-18)21-14-35-23-20(12-28-24(27)22(21)23)16-11-29-32(13-16)8-9-33/h1-7,10-14,33H,8-9H2,(H2,27,28)(H2,30,31,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE 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

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