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SMILES: Cc1cccc(NC(=O)Nc2ccc(cc2)-c2csc3c(cnc(N)c23)-c2cn[nH]c2)c1

InChI Key: InChIKey=UGEJLCNSVIVALC-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50381698   

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
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
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
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
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
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 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	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human KDR phosphorylation expressed in mouse NIH3T3 cells				Bioorg Med Chem Lett 22: 3208-12 (2012) Article DOI: 10.1016/j.bmcl.2012.03.035 BindingDB Entry DOI: 10.7270/Q2000336
					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
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
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
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	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of KDR using 1 mM ATP by HTRF assay				Bioorg Med Chem Lett 22: 3208-12 (2012) Article DOI: 10.1016/j.bmcl.2012.03.035 BindingDB Entry DOI: 10.7270/Q2000336
					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	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Aurora B using 1 mM ATP by HTRF assay				Bioorg Med Chem Lett 22: 3208-12 (2012) Article DOI: 10.1016/j.bmcl.2012.03.035 BindingDB Entry DOI: 10.7270/Q2000336
					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