BDBM50428124 CHEMBL2331678

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

InChI Key: InChIKey=RWSCHRBISRWGQQ-KRWDZBQOSA-N

Data: 1 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 3 hits for monomerid = 50428124   

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))	BDBM50428124 (CHEMBL2331678) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2CN(CCc2c(n1)N1CCOC[C@@H]1C)C(C)C |r| Show InChI InChI=1S/C24H34N6O2/c1-5-25-24(31)26-19-8-6-18(7-9-19)22-27-21-14-29(16(2)3)11-10-20(21)23(28-22)30-12-13-32-15-17(30)4/h6-9,16-17H,5,10-15H2,1-4H3,(H2,25,26,31)/t17-/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	9.60	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))	BDBM50428124 (CHEMBL2331678) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2CN(CCc2c(n1)N1CCOC[C@@H]1C)C(C)C |r| Show InChI InChI=1S/C24H34N6O2/c1-5-25-24(31)26-19-8-6-18(7-9-19)22-27-21-14-29(16(2)3)11-10-20(21)23(28-22)30-12-13-32-15-17(30)4/h6-9,16-17H,5,10-15H2,1-4H3,(H2,25,26,31)/t17-/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	>1.00E+4	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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50428124 (CHEMBL2331678) Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2CN(CCc2c(n1)N1CCOC[C@@H]1C)C(C)C |r| Show InChI InChI=1S/C24H34N6O2/c1-5-25-24(31)26-19-8-6-18(7-9-19)22-27-21-14-29(16(2)3)11-10-20(21)23(28-22)30-12-13-32-15-17(30)4/h6-9,16-17H,5,10-15H2,1-4H3,(H2,25,26,31)/t17-/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	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp 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