Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 382.4 BDBM50327790

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50327790 ((R)-2-amino-3-(4-fluorophenyl)-1-(4-(5-methyl-7H-p...) Show SMILES Cc1c[nH]c2ncnc(N3CCN(CC3)C(=O)[C@H](N)Cc3ccc(F)cc3)c12 |r| Show InChI InChI=1S/C20H23FN6O/c1-13-11-23-18-17(13)19(25-12-24-18)26-6-8-27(9-7-26)20(28)16(22)10-14-2-4-15(21)5-3-14/h2-5,11-12,16H,6-10,22H2,1H3,(H,23,24,25)/t16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Inhibition of Akt1				Bioorg Med Chem Lett 20: 7037-41 (2010) Article DOI: 10.1016/j.bmcl.2010.09.112 BindingDB Entry DOI: 10.7270/Q2TM7BBJ
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50327790 ((R)-2-amino-3-(4-fluorophenyl)-1-(4-(5-methyl-7H-p...) Show SMILES Cc1c[nH]c2ncnc(N3CCN(CC3)C(=O)[C@H](N)Cc3ccc(F)cc3)c12 |r| Show InChI InChI=1S/C20H23FN6O/c1-13-11-23-18-17(13)19(25-12-24-18)26-6-8-27(9-7-26)20(28)16(22)10-14-2-4-15(21)5-3-14/h2-5,11-12,16H,6-10,22H2,1H3,(H,23,24,25)/t16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc Curated by ChEMBL					Assay Description Inhibition of AKT1 by IMAP assay				Bioorg Med Chem Lett 20: 5607-12 (2010) Article DOI: 10.1016/j.bmcl.2010.08.053 BindingDB Entry DOI: 10.7270/Q2M908XQ
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50327790 ((R)-2-amino-3-(4-fluorophenyl)-1-(4-(5-methyl-7H-p...) Show SMILES Cc1c[nH]c2ncnc(N3CCN(CC3)C(=O)[C@H](N)Cc3ccc(F)cc3)c12 |r| Show InChI InChI=1S/C20H23FN6O/c1-13-11-23-18-17(13)19(25-12-24-18)26-6-8-27(9-7-26)20(28)16(22)10-14-2-4-15(21)5-3-14/h2-5,11-12,16H,6-10,22H2,1H3,(H,23,24,25)/t16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Inhibition of Akt in human LNCaP cell assessed as inhibition of PRAS40 phosphorylation				Bioorg Med Chem Lett 20: 7037-41 (2010) Article DOI: 10.1016/j.bmcl.2010.09.112 BindingDB Entry DOI: 10.7270/Q2TM7BBJ
					More data for this Ligand-Target Pair
Proline-rich AKT1 substrate 1 (Homo sapiens (Human))	BDBM50327790 ((R)-2-amino-3-(4-fluorophenyl)-1-(4-(5-methyl-7H-p...) Show SMILES Cc1c[nH]c2ncnc(N3CCN(CC3)C(=O)[C@H](N)Cc3ccc(F)cc3)c12 |r| Show InChI InChI=1S/C20H23FN6O/c1-13-11-23-18-17(13)19(25-12-24-18)26-6-8-27(9-7-26)20(28)16(22)10-14-2-4-15(21)5-3-14/h2-5,11-12,16H,6-10,22H2,1H3,(H,23,24,25)/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc Curated by ChEMBL					Assay Description Inhibition of PRAS40 phosphorylation at Thr246 in human LNCaP cells after 1.5 hrs				Bioorg Med Chem Lett 20: 5607-12 (2010) Article DOI: 10.1016/j.bmcl.2010.08.053 BindingDB Entry DOI: 10.7270/Q2M908XQ
					More data for this Ligand-Target Pair