BDBM50055864 CHEMBL3326099

SMILES: CCN(CC)CCCNc1nc(nc2ccsc12)-c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1

InChI Key: InChIKey=KVQXSRPPMDSZLB-UHFFFAOYSA-N

Data: 10 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 10 hits for monomerid = 50055864   

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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50055864 (CHEMBL3326099) Show SMILES CCN(CC)CCCNc1nc(nc2ccsc12)-c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C26H29ClN6OS/c1-3-33(4-2)16-5-15-28-25-23-22(14-17-35-23)31-24(32-25)18-6-10-20(11-7-18)29-26(34)30-21-12-8-19(27)9-13-21/h6-14,17H,3-5,15-16H2,1-2H3,(H,28,31,32)(H2,29,30,34)	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	130	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay				Eur J Med Chem 85: 215-27 (2014) Article DOI: 10.1016/j.ejmech.2014.07.099 BindingDB Entry DOI: 10.7270/Q24T6M19
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50055864 (CHEMBL3326099) Show SMILES CCN(CC)CCCNc1nc(nc2ccsc12)-c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C26H29ClN6OS/c1-3-33(4-2)16-5-15-28-25-23-22(14-17-35-23)31-24(32-25)18-6-10-20(11-7-18)29-26(34)30-21-12-8-19(27)9-13-21/h6-14,17H,3-5,15-16H2,1-2H3,(H,28,31,32)(H2,29,30,34)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of mTOR (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay				Eur J Med Chem 85: 215-27 (2014) Article DOI: 10.1016/j.ejmech.2014.07.099 BindingDB Entry DOI: 10.7270/Q24T6M19
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50055864 (CHEMBL3326099) Show SMILES CCN(CC)CCCNc1nc(nc2ccsc12)-c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C26H29ClN6OS/c1-3-33(4-2)16-5-15-28-25-23-22(14-17-35-23)31-24(32-25)18-6-10-20(11-7-18)29-26(34)30-21-12-8-19(27)9-13-21/h6-14,17H,3-5,15-16H2,1-2H3,(H,28,31,32)(H2,29,30,34)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of B-Raf (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay				Eur J Med Chem 85: 215-27 (2014) Article DOI: 10.1016/j.ejmech.2014.07.099 BindingDB Entry DOI: 10.7270/Q24T6M19
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50055864 (CHEMBL3326099) Show SMILES CCN(CC)CCCNc1nc(nc2ccsc12)-c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C26H29ClN6OS/c1-3-33(4-2)16-5-15-28-25-23-22(14-17-35-23)31-24(32-25)18-6-10-20(11-7-18)29-26(34)30-21-12-8-19(27)9-13-21/h6-14,17H,3-5,15-16H2,1-2H3,(H,28,31,32)(H2,29,30,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of C-Raf (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay				Eur J Med Chem 85: 215-27 (2014) Article DOI: 10.1016/j.ejmech.2014.07.099 BindingDB Entry DOI: 10.7270/Q24T6M19
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50055864 (CHEMBL3326099) Show SMILES CCN(CC)CCCNc1nc(nc2ccsc12)-c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C26H29ClN6OS/c1-3-33(4-2)16-5-15-28-25-23-22(14-17-35-23)31-24(32-25)18-6-10-20(11-7-18)29-26(34)30-21-12-8-19(27)9-13-21/h6-14,17H,3-5,15-16H2,1-2H3,(H,28,31,32)(H2,29,30,34)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of KDR (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay				Eur J Med Chem 85: 215-27 (2014) Article DOI: 10.1016/j.ejmech.2014.07.099 BindingDB Entry DOI: 10.7270/Q24T6M19
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor (Homo sapiens (Human))	BDBM50055864 (CHEMBL3326099) Show SMILES CCN(CC)CCCNc1nc(nc2ccsc12)-c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C26H29ClN6OS/c1-3-33(4-2)16-5-15-28-25-23-22(14-17-35-23)31-24(32-25)18-6-10-20(11-7-18)29-26(34)30-21-12-8-19(27)9-13-21/h6-14,17H,3-5,15-16H2,1-2H3,(H,28,31,32)(H2,29,30,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of VEGFR (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay				Eur J Med Chem 85: 215-27 (2014) Article DOI: 10.1016/j.ejmech.2014.07.099 BindingDB Entry DOI: 10.7270/Q24T6M19
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Homo sapiens (Human))	BDBM50055864 (CHEMBL3326099) Show SMILES CCN(CC)CCCNc1nc(nc2ccsc12)-c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C26H29ClN6OS/c1-3-33(4-2)16-5-15-28-25-23-22(14-17-35-23)31-24(32-25)18-6-10-20(11-7-18)29-26(34)30-21-12-8-19(27)9-13-21/h6-14,17H,3-5,15-16H2,1-2H3,(H,28,31,32)(H2,29,30,34)	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	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of PDGFRbeta (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay				Eur J Med Chem 85: 215-27 (2014) Article DOI: 10.1016/j.ejmech.2014.07.099 BindingDB Entry DOI: 10.7270/Q24T6M19
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50055864 (CHEMBL3326099) Show SMILES CCN(CC)CCCNc1nc(nc2ccsc12)-c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C26H29ClN6OS/c1-3-33(4-2)16-5-15-28-25-23-22(14-17-35-23)31-24(32-25)18-6-10-20(11-7-18)29-26(34)30-21-12-8-19(27)9-13-21/h6-14,17H,3-5,15-16H2,1-2H3,(H,28,31,32)(H2,29,30,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of FLT3 (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay				Eur J Med Chem 85: 215-27 (2014) Article DOI: 10.1016/j.ejmech.2014.07.099 BindingDB Entry DOI: 10.7270/Q24T6M19
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50055864 (CHEMBL3326099) Show SMILES CCN(CC)CCCNc1nc(nc2ccsc12)-c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C26H29ClN6OS/c1-3-33(4-2)16-5-15-28-25-23-22(14-17-35-23)31-24(32-25)18-6-10-20(11-7-18)29-26(34)30-21-12-8-19(27)9-13-21/h6-14,17H,3-5,15-16H2,1-2H3,(H,28,31,32)(H2,29,30,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of KIT (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay				Eur J Med Chem 85: 215-27 (2014) Article DOI: 10.1016/j.ejmech.2014.07.099 BindingDB Entry DOI: 10.7270/Q24T6M19
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50055864 (CHEMBL3326099) Show SMILES CCN(CC)CCCNc1nc(nc2ccsc12)-c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C26H29ClN6OS/c1-3-33(4-2)16-5-15-28-25-23-22(14-17-35-23)31-24(32-25)18-6-10-20(11-7-18)29-26(34)30-21-12-8-19(27)9-13-21/h6-14,17H,3-5,15-16H2,1-2H3,(H,28,31,32)(H2,29,30,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of EGFR (unknown origin) using poly (Glu, Tyr) 4:1 substrate incubated for 30 mins by HTRF assay				Eur J Med Chem 85: 215-27 (2014) Article DOI: 10.1016/j.ejmech.2014.07.099 BindingDB Entry DOI: 10.7270/Q24T6M19
					More data for this Ligand-Target Pair