null

SMILES: Cn1c2cc(ccc2[nH]c1=O)-c1cnc(NC[C@@H](N)Cc2ccc(cc2)C(F)(F)F)s1

InChI Key: InChIKey=FLAQHSSOAXIOIA-HNNXBMFYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50312936   

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 (Homo sapiens (Human))	BDBM50312936 ((S)-6-(2-(2-amino-3-(4-(trifluoromethyl)phenyl)pro...) Show SMILES Cn1c2cc(ccc2[nH]c1=O)-c1cnc(NC[C@@H](N)Cc2ccc(cc2)C(F)(F)F)s1 |r| Show InChI InChI=1S/C21H20F3N5OS/c1-29-17-9-13(4-7-16(17)28-20(29)30)18-11-27-19(31-18)26-10-15(25)8-12-2-5-14(6-3-12)21(22,23)24/h2-7,9,11,15H,8,10,25H2,1H3,(H,26,27)(H,28,30)/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human AKT1 in human U87MG cells assessed as PRAS40 phosphorylation after 1 hr by ELISA				Bioorg Med Chem Lett 20: 1559-64 (2010) Article DOI: 10.1016/j.bmcl.2010.01.067 BindingDB Entry DOI: 10.7270/Q20C4VWX
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50312936 ((S)-6-(2-(2-amino-3-(4-(trifluoromethyl)phenyl)pro...) Show SMILES Cn1c2cc(ccc2[nH]c1=O)-c1cnc(NC[C@@H](N)Cc2ccc(cc2)C(F)(F)F)s1 |r| Show InChI InChI=1S/C21H20F3N5OS/c1-29-17-9-13(4-7-16(17)28-20(29)30)18-11-27-19(31-18)26-10-15(25)8-12-2-5-14(6-3-12)21(22,23)24/h2-7,9,11,15H,8,10,25H2,1H3,(H,26,27)(H,28,30)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	276	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of CDK2				Bioorg Med Chem Lett 20: 1559-64 (2010) Article DOI: 10.1016/j.bmcl.2010.01.067 BindingDB Entry DOI: 10.7270/Q20C4VWX
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50312936 ((S)-6-(2-(2-amino-3-(4-(trifluoromethyl)phenyl)pro...) Show SMILES Cn1c2cc(ccc2[nH]c1=O)-c1cnc(NC[C@@H](N)Cc2ccc(cc2)C(F)(F)F)s1 |r| Show InChI InChI=1S/C21H20F3N5OS/c1-29-17-9-13(4-7-16(17)28-20(29)30)18-11-27-19(31-18)26-10-15(25)8-12-2-5-14(6-3-12)21(22,23)24/h2-7,9,11,15H,8,10,25H2,1H3,(H,26,27)(H,28,30)/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human AKT1 in human U87MG cells assessed as PRAS40 phosphorylation after 1 hr by ELISA				Bioorg Med Chem Lett 20: 1559-64 (2010) Article DOI: 10.1016/j.bmcl.2010.01.067 BindingDB Entry DOI: 10.7270/Q20C4VWX
					More data for this Ligand-Target Pair