BDBM50505424 CHEMBL4542182

SMILES: [H][C@]12Cc3c(nc(nc3N3CCOC[C@H]3C)-c3cnc(N)cc3OC)N1CCOC2

InChI Key: InChIKey=IXCKXAAJTCORGW-CHWSQXEVSA-N

Data: 2 KI  2 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 4 hits for monomerid = 50505424   

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
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50505424 (CHEMBL4542182) Show SMILES [H][C@]12Cc3c(nc(nc3N3CCOC[C@H]3C)-c3cnc(N)cc3OC)N1CCOC2 |r| Show InChI InChI=1S/C20H26N6O3/c1-12-10-28-5-3-25(12)19-14-7-13-11-29-6-4-26(13)20(14)24-18(23-19)15-9-22-17(21)8-16(15)27-2/h8-9,12-13H,3-7,10-11H2,1-2H3,(H2,21,22)/t12-,13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	208	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of alexa fluor 647-labeled kinase tracer 314 binding to recombinant human N-terminal GST-fused mTOR (1360 to 2549 residues) expressed in b...				J Med Chem 62: 8609-8630 (2019) Article DOI: 10.1021/acs.jmedchem.9b00972
					More data for this Ligand-Target Pair
p110α/p85α (Homo sapiens (Human))	BDBM50505424 (CHEMBL4542182) Show SMILES [H][C@]12Cc3c(nc(nc3N3CCOC[C@H]3C)-c3cnc(N)cc3OC)N1CCOC2 |r| Show InChI InChI=1S/C20H26N6O3/c1-12-10-28-5-3-25(12)19-14-7-13-11-29-6-4-26(13)20(14)24-18(23-19)15-9-22-17(21)8-16(15)27-2/h8-9,12-13H,3-7,10-11H2,1-2H3,(H2,21,22)/t12-,13-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of alexa fluor 647-labeled kinase tracer 314 binding to recombinant human full-length N-terminal His6-tagged p110alpha/p85alpha expressed ...				J Med Chem 62: 8609-8630 (2019) Article DOI: 10.1021/acs.jmedchem.9b00972
					More data for this Ligand-Target Pair
Target of rapamycin complex subunit LST8 (Homo sapiens)	BDBM50505424 (CHEMBL4542182) Show SMILES [H][C@]12Cc3c(nc(nc3N3CCOC[C@H]3C)-c3cnc(N)cc3OC)N1CCOC2 |r| Show InChI InChI=1S/C20H26N6O3/c1-12-10-28-5-3-25(12)19-14-7-13-11-29-6-4-26(13)20(14)24-18(23-19)15-9-22-17(21)8-16(15)27-2/h8-9,12-13H,3-7,10-11H2,1-2H3,(H2,21,22)/t12-,13-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of mTORC1 in human A2058 cells assessed as reduction in ribosomal protein S6 phosphorylation at Ser235/236 residues incubated for 1 hr by ...				J Med Chem 62: 8609-8630 (2019) Article DOI: 10.1021/acs.jmedchem.9b00972
					More data for this Ligand-Target Pair
Target of rapamycin complex 2 subunit MAPKAP1 (Homo sapiens)	BDBM50505424 (CHEMBL4542182) Show SMILES [H][C@]12Cc3c(nc(nc3N3CCOC[C@H]3C)-c3cnc(N)cc3OC)N1CCOC2 |r| Show InChI InChI=1S/C20H26N6O3/c1-12-10-28-5-3-25(12)19-14-7-13-11-29-6-4-26(13)20(14)24-18(23-19)15-9-22-17(21)8-16(15)27-2/h8-9,12-13H,3-7,10-11H2,1-2H3,(H2,21,22)/t12-,13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibition of mTORC2 in human A2058 cells assessed as reduction in PKB phosphorylation at S473 residues incubated for 1 hr by Western blot analysis				J Med Chem 62: 8609-8630 (2019) Article DOI: 10.1021/acs.jmedchem.9b00972
					More data for this Ligand-Target Pair