BDBM50332012 CHEMBL1290790::N-(5-(3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridin-3-yl)benzenesulfonamide

SMILES: COc1ccc(cc1OC)-c1c[nH]c2ncc(cc12)-c1cncc(NS(=O)(=O)c2ccccc2)c1

InChI Key: InChIKey=UNMOFIMYKFXMJC-UHFFFAOYSA-N

Data: 3 IC50  2 Kd

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 5 hits for monomerid = 50332012   

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))	BDBM50332012 (CHEMBL1290790 | N-(5-(3-(3,4-dimethoxyphenyl)-1H-p...) Show SMILES COc1ccc(cc1OC)-c1c[nH]c2ncc(cc12)-c1cncc(NS(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C26H22N4O4S/c1-33-24-9-8-17(12-25(24)34-2)23-16-29-26-22(23)11-19(14-28-26)18-10-20(15-27-13-18)30-35(31,32)21-6-4-3-5-7-21/h3-16,30H,1-2H3,(H,28,29)	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	12	n/a	n/a	n/a	n/a	n/a	n/a
Korea Advanced Institute of Science and Technology (KAIST) Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin)				J Med Chem 57: 6428-43 (2014) Article DOI: 10.1021/jm500413g BindingDB Entry DOI: 10.7270/Q2QR4ZS4
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50332012 (CHEMBL1290790 | N-(5-(3-(3,4-dimethoxyphenyl)-1H-p...) Show SMILES COc1ccc(cc1OC)-c1c[nH]c2ncc(cc12)-c1cncc(NS(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C26H22N4O4S/c1-33-24-9-8-17(12-25(24)34-2)23-16-29-26-22(23)11-19(14-28-26)18-10-20(15-27-13-18)30-35(31,32)21-6-4-3-5-7-21/h3-16,30H,1-2H3,(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	346	n/a	n/a	n/a	n/a	n/a	n/a
Korea Advanced Institute of Science and Technology (KAIST) Curated by ChEMBL					Assay Description Inhibition of c-KIT D816V mutant (unknown origin)				J Med Chem 57: 6428-43 (2014) Article DOI: 10.1021/jm500413g BindingDB Entry DOI: 10.7270/Q2QR4ZS4
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50332012 (CHEMBL1290790 | N-(5-(3-(3,4-dimethoxyphenyl)-1H-p...) Show SMILES COc1ccc(cc1OC)-c1c[nH]c2ncc(cc12)-c1cncc(NS(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C26H22N4O4S/c1-33-24-9-8-17(12-25(24)34-2)23-16-29-26-22(23)11-19(14-28-26)18-10-20(15-27-13-18)30-35(31,32)21-6-4-3-5-7-21/h3-16,30H,1-2H3,(H,28,29)	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	12	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Science and Technology (KAIST) Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha				Bioorg Med Chem Lett 20: 7212-5 (2010) Article DOI: 10.1016/j.bmcl.2010.10.108 BindingDB Entry DOI: 10.7270/Q2639QQ1
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50332012 (CHEMBL1290790 | N-(5-(3-(3,4-dimethoxyphenyl)-1H-p...) Show SMILES COc1ccc(cc1OC)-c1c[nH]c2ncc(cc12)-c1cncc(NS(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C26H22N4O4S/c1-33-24-9-8-17(12-25(24)34-2)23-16-29-26-22(23)11-19(14-28-26)18-10-20(15-27-13-18)30-35(31,32)21-6-4-3-5-7-21/h3-16,30H,1-2H3,(H,28,29)	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	n/a	48	n/a	n/a	n/a	n/a	n/a
Korea Advanced Institute of Science and Technology (KAIST) Curated by ChEMBL					Assay Description Binding affinity to PI3Kalpha by high throughput assay				J Med Chem 55: 5337-49 (2012) Article DOI: 10.1021/jm3002982 BindingDB Entry DOI: 10.7270/Q2JM2BQ3
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50332012 (CHEMBL1290790 | N-(5-(3-(3,4-dimethoxyphenyl)-1H-p...) Show SMILES COc1ccc(cc1OC)-c1c[nH]c2ncc(cc12)-c1cncc(NS(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C26H22N4O4S/c1-33-24-9-8-17(12-25(24)34-2)23-16-29-26-22(23)11-19(14-28-26)18-10-20(15-27-13-18)30-35(31,32)21-6-4-3-5-7-21/h3-16,30H,1-2H3,(H,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	145	n/a	n/a	n/a	n/a	n/a
Korea Advanced Institute of Science and Technology (KAIST) Curated by ChEMBL					Assay Description Binding affinity to TRKA by high throughput assay				J Med Chem 55: 5337-49 (2012) Article DOI: 10.1021/jm3002982 BindingDB Entry DOI: 10.7270/Q2JM2BQ3
					More data for this Ligand-Target Pair