BDBM50384250 CHEMBL2030448

SMILES: CS(=O)(=O)Cc1cc(nc(n1)-c1ccc2[nH]ccc2c1)N1CC2CCC(C1)O2

InChI Key: InChIKey=WLUUEQZPBDKNPQ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50384250   

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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50384250 (CHEMBL2030448) Show SMILES CS(=O)(=O)Cc1cc(nc(n1)-c1ccc2[nH]ccc2c1)N1CC2CCC(C1)O2 Show InChI InChI=1S/C20H22N4O3S/c1-28(25,26)12-15-9-19(24-10-16-3-4-17(11-24)27-16)23-20(22-15)14-2-5-18-13(8-14)6-7-21-18/h2,5-9,16-17,21H,3-4,10-12H2,1H3	PDB MMDB 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	>3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG by whole cell assay				Bioorg Med Chem Lett 22: 4163-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.036 BindingDB Entry DOI: 10.7270/Q2N017KD
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50384250 (CHEMBL2030448) Show SMILES CS(=O)(=O)Cc1cc(nc(n1)-c1ccc2[nH]ccc2c1)N1CC2CCC(C1)O2 Show InChI InChI=1S/C20H22N4O3S/c1-28(25,26)12-15-9-19(24-10-16-3-4-17(11-24)27-16)23-20(22-15)14-2-5-18-13(8-14)6-7-21-18/h2,5-9,16-17,21H,3-4,10-12H2,1H3	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	252	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant FLAG-tagged mTOR kinase expressed in HEK293 cells using Biotin-Ahx-Lys-Lys-Ala-Asn-Gln-Val-Phe-Leu-Gly-Phe-Thr-Tyr-Val-Ala-...				Bioorg Med Chem Lett 22: 4163-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.036 BindingDB Entry DOI: 10.7270/Q2N017KD
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50384250 (CHEMBL2030448) Show SMILES CS(=O)(=O)Cc1cc(nc(n1)-c1ccc2[nH]ccc2c1)N1CC2CCC(C1)O2 Show InChI InChI=1S/C20H22N4O3S/c1-28(25,26)12-15-9-19(24-10-16-3-4-17(11-24)27-16)23-20(22-15)14-2-5-18-13(8-14)6-7-21-18/h2,5-9,16-17,21H,3-4,10-12H2,1H3	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	>4.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant PI3Kalpha expressed in baculovirus system using PI(4,5)P2 as substrate after 20 mins				Bioorg Med Chem Lett 22: 4163-8 (2012) Article DOI: 10.1016/j.bmcl.2012.04.036 BindingDB Entry DOI: 10.7270/Q2N017KD
					More data for this Ligand-Target Pair