BDBM50428128 CHEMBL2331688

SMILES: CCNC(=O)Nc1ccc(cc1)-c1nc2CN(CCc2c(n1)N1CCOC[C@@H]1C)c1ncc(F)cn1

InChI Key: InChIKey=DEQRJEPSLGPYFN-INIZCTEOSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50428128   

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))	BDBM50428128 (CHEMBL2331688) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2CN(CCc2c(n1)N1CCOC[C@@H]1C)c1ncc(F)cn1 |r| Show InChI InChI=1S/C25H29FN8O2/c1-3-27-25(35)30-19-6-4-17(5-7-19)22-31-21-14-33(24-28-12-18(26)13-29-24)9-8-20(21)23(32-22)34-10-11-36-15-16(34)2/h4-7,12-13,16H,3,8-11,14-15H2,1-2H3,(H2,27,30,35)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of recombinant mTOR (1360 to 2549)+GBL (unknown origin) using GFP-4E-BP1 as substrate after 30 mins by FRET assay				ACS Med Chem Lett 4: 103-7 (2013) Article DOI: 10.1021/ml3003132 BindingDB Entry DOI: 10.7270/Q28C9XK3
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50428128 (CHEMBL2331688) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2CN(CCc2c(n1)N1CCOC[C@@H]1C)c1ncc(F)cn1 |r| Show InChI InChI=1S/C25H29FN8O2/c1-3-27-25(35)30-19-6-4-17(5-7-19)22-31-21-14-33(24-28-12-18(26)13-29-24)9-8-20(21)23(32-22)34-10-11-36-15-16(34)2/h4-7,12-13,16H,3,8-11,14-15H2,1-2H3,(H2,27,30,35)/t16-/m0/s1	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	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Time-dependent inhibition of CYP3A4 in human liver microsome using midazolam as substrate by TDI shift assay				ACS Med Chem Lett 4: 103-7 (2013) Article DOI: 10.1021/ml3003132 BindingDB Entry DOI: 10.7270/Q28C9XK3
					More data for this Ligand-Target Pair