BDBM50543601 CHEMBL2134202

SMILES: CCc1cncnc1N1CCN(Cc2nc3cc(ccc3[nH]2)C(F)(F)F)CC1

InChI Key: InChIKey=FBLPQCAQRNSVHB-UHFFFAOYSA-N

Data: 1 KI  1 IC50

PDB links: 8 PDB IDs match this monomer.

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 = 50543601   

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
RAC-alpha serine/threonine-protein kinase/Ribosomal protein S6 kinase beta-1 (Homo sapiens (Human))	BDBM50543601 (CHEMBL2134202) Show SMILES CCc1cncnc1N1CCN(Cc2nc3cc(ccc3[nH]2)C(F)(F)F)CC1 Show InChI InChI=1S/C19H21F3N6/c1-2-13-10-23-12-24-18(13)28-7-5-27(6-8-28)11-17-25-15-4-3-14(19(20,21)22)9-16(15)26-17/h3-4,9-10,12H,2,5-8,11H2,1H3,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of S6K1 (unknown origin)				J Med Chem 63: 10135-10157 (2020)
					More data for this Ligand-Target Pair				3D Structure (crystal)
RAC-alpha serine/threonine-protein kinase/Ribosomal protein S6 kinase beta-1 (Homo sapiens (Human))	BDBM50543601 (CHEMBL2134202) Show SMILES CCc1cncnc1N1CCN(Cc2nc3cc(ccc3[nH]2)C(F)(F)F)CC1 Show InChI InChI=1S/C19H21F3N6/c1-2-13-10-23-12-24-18(13)28-7-5-27(6-8-28)11-17-25-15-4-3-14(19(20,21)22)9-16(15)26-17/h3-4,9-10,12H,2,5-8,11H2,1H3,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of S6K1 (unknown origin)				J Med Chem 63: 10135-10157 (2020)
					More data for this Ligand-Target Pair				3D Structure (crystal)