Marvin 2D Structure

Wt: 390.3 BDBM50078207

Wt: 276.4 BDBM50078259

Wt: 339.4 BDBM50078209

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

Found 12 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))	BDBM50078207 (CHEMBL3414688) Show SMILES CC(C)CCCC1(C)CCc2cc(cc(Br)c2O1)S(N)(=O)=O Show InChI InChI=1S/C16H24BrNO3S/c1-11(2)5-4-7-16(3)8-6-12-9-13(22(18,19)20)10-14(17)15(12)21-16/h9-11H,4-8H2,1-3H3,(H2,18,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Binding affinity to GST-tagged PH domain of AKT (unknown origin) by surface Plasmon resonance spectroscopy				J Med Chem 58: 2290-8 (2015) Article DOI: 10.1021/jm501751b BindingDB Entry DOI: 10.7270/Q20V8FGX
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50078209 (CHEMBL3414686) Show SMILES CC(C)CCCC1(C)CCc2cc(c(C)c(C)c2O1)S(N)(=O)=O Show InChI InChI=1S/C18H29NO3S/c1-12(2)7-6-9-18(5)10-8-15-11-16(23(19,20)21)13(3)14(4)17(15)22-18/h11-12H,6-10H2,1-5H3,(H2,19,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Binding affinity to GST-tagged PH domain of AKT (unknown origin) by surface Plasmon resonance spectroscopy				J Med Chem 58: 2290-8 (2015) Article DOI: 10.1021/jm501751b BindingDB Entry DOI: 10.7270/Q20V8FGX
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50078259 (CHEMBL3414669) Show SMILES CC(C)CCC[C@]1(C)CCc2cc(O)c(C)c(C)c2O1 |r| Show InChI InChI=1S/C18H28O2/c1-12(2)7-6-9-18(5)10-8-15-11-16(19)13(3)14(4)17(15)20-18/h11-12,19H,6-10H2,1-5H3/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Binding affinity to GST-tagged PH domain of AKT (unknown origin) by surface Plasmon resonance spectroscopy				J Med Chem 58: 2290-8 (2015) Article DOI: 10.1021/jm501751b BindingDB Entry DOI: 10.7270/Q20V8FGX
					More data for this Ligand-Target Pair
PH domain leucine-rich repeat-containing protein phosphatase 1 (Homo sapiens (Human))	BDBM50078259 (CHEMBL3414669) Show SMILES CC(C)CCC[C@]1(C)CCc2cc(O)c(C)c(C)c2O1 |r| Show InChI InChI=1S/C18H28O2/c1-12(2)7-6-9-18(5)10-8-15-11-16(19)13(3)14(4)17(15)20-18/h11-12,19H,6-10H2,1-5H3/t18-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Binding affinity to GST-tagged PH domain of PHLPP1 (unknown origin) by surface Plasmon resonance spectroscopy				J Med Chem 58: 2290-8 (2015) Article DOI: 10.1021/jm501751b BindingDB Entry DOI: 10.7270/Q20V8FGX
					More data for this Ligand-Target Pair
PH domain leucine-rich repeat-containing protein phosphatase 1 (Homo sapiens (Human))	BDBM50078209 (CHEMBL3414686) Show SMILES CC(C)CCCC1(C)CCc2cc(c(C)c(C)c2O1)S(N)(=O)=O Show InChI InChI=1S/C18H29NO3S/c1-12(2)7-6-9-18(5)10-8-15-11-16(23(19,20)21)13(3)14(4)17(15)22-18/h11-12H,6-10H2,1-5H3,(H2,19,20,21)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	720	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Binding affinity to GST-tagged PH domain of PHLPP1 (unknown origin) by surface Plasmon resonance spectroscopy				J Med Chem 58: 2290-8 (2015) Article DOI: 10.1021/jm501751b BindingDB Entry DOI: 10.7270/Q20V8FGX
					More data for this Ligand-Target Pair
Integrin-linked protein kinase (Homo sapiens (Human))	BDBM50078207 (CHEMBL3414688) Show SMILES CC(C)CCCC1(C)CCc2cc(cc(Br)c2O1)S(N)(=O)=O Show InChI InChI=1S/C16H24BrNO3S/c1-11(2)5-4-7-16(3)8-6-12-9-13(22(18,19)20)10-14(17)15(12)21-16/h9-11H,4-8H2,1-3H3,(H2,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.31E+4	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Binding affinity to GST-tagged PH domain of ILK (unknown origin) by surface Plasmon resonance spectroscopy				J Med Chem 58: 2290-8 (2015) Article DOI: 10.1021/jm501751b BindingDB Entry DOI: 10.7270/Q20V8FGX
					More data for this Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM50078259 (CHEMBL3414669) Show SMILES CC(C)CCC[C@]1(C)CCc2cc(O)c(C)c(C)c2O1 |r| Show InChI InChI=1S/C18H28O2/c1-12(2)7-6-9-18(5)10-8-15-11-16(19)13(3)14(4)17(15)20-18/h11-12,19H,6-10H2,1-5H3/t18-/m1/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	n/a	n/a	n/a	1.02E+4	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Binding affinity to GST-tagged PH domain of PDK1 (unknown origin) by surface Plasmon resonance spectroscopy				J Med Chem 58: 2290-8 (2015) Article DOI: 10.1021/jm501751b BindingDB Entry DOI: 10.7270/Q20V8FGX
					More data for this Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM50078209 (CHEMBL3414686) Show SMILES CC(C)CCCC1(C)CCc2cc(c(C)c(C)c2O1)S(N)(=O)=O Show InChI InChI=1S/C18H29NO3S/c1-12(2)7-6-9-18(5)10-8-15-11-16(23(19,20)21)13(3)14(4)17(15)22-18/h11-12H,6-10H2,1-5H3,(H2,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.95E+4	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Binding affinity to GST-tagged PH domain of PDK1 (unknown origin) by surface Plasmon resonance spectroscopy				J Med Chem 58: 2290-8 (2015) Article DOI: 10.1021/jm501751b BindingDB Entry DOI: 10.7270/Q20V8FGX
					More data for this Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM50078207 (CHEMBL3414688) Show SMILES CC(C)CCCC1(C)CCc2cc(cc(Br)c2O1)S(N)(=O)=O Show InChI InChI=1S/C16H24BrNO3S/c1-11(2)5-4-7-16(3)8-6-12-9-13(22(18,19)20)10-14(17)15(12)21-16/h9-11H,4-8H2,1-3H3,(H2,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.11E+4	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Binding affinity to GST-tagged PH domain of PDK1 (unknown origin) by surface Plasmon resonance spectroscopy				J Med Chem 58: 2290-8 (2015) Article DOI: 10.1021/jm501751b BindingDB Entry DOI: 10.7270/Q20V8FGX
					More data for this Ligand-Target Pair
Integrin-linked protein kinase (Homo sapiens (Human))	BDBM50078259 (CHEMBL3414669) Show SMILES CC(C)CCC[C@]1(C)CCc2cc(O)c(C)c(C)c2O1 |r| Show InChI InChI=1S/C18H28O2/c1-12(2)7-6-9-18(5)10-8-15-11-16(19)13(3)14(4)17(15)20-18/h11-12,19H,6-10H2,1-5H3/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	8.70E+3	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Binding affinity to GST-tagged PH domain of ILK (unknown origin) by surface Plasmon resonance spectroscopy				J Med Chem 58: 2290-8 (2015) Article DOI: 10.1021/jm501751b BindingDB Entry DOI: 10.7270/Q20V8FGX
					More data for this Ligand-Target Pair
Integrin-linked protein kinase (Homo sapiens (Human))	BDBM50078209 (CHEMBL3414686) Show SMILES CC(C)CCCC1(C)CCc2cc(c(C)c(C)c2O1)S(N)(=O)=O Show InChI InChI=1S/C18H29NO3S/c1-12(2)7-6-9-18(5)10-8-15-11-16(23(19,20)21)13(3)14(4)17(15)22-18/h11-12H,6-10H2,1-5H3,(H2,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Binding affinity to GST-tagged PH domain of ILK (unknown origin) by surface Plasmon resonance spectroscopy				J Med Chem 58: 2290-8 (2015) Article DOI: 10.1021/jm501751b BindingDB Entry DOI: 10.7270/Q20V8FGX
					More data for this Ligand-Target Pair
PH domain leucine-rich repeat-containing protein phosphatase 1 (Homo sapiens (Human))	BDBM50078207 (CHEMBL3414688) Show SMILES CC(C)CCCC1(C)CCc2cc(cc(Br)c2O1)S(N)(=O)=O Show InChI InChI=1S/C16H24BrNO3S/c1-11(2)5-4-7-16(3)8-6-12-9-13(22(18,19)20)10-14(17)15(12)21-16/h9-11H,4-8H2,1-3H3,(H2,18,19,20)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Binding affinity to GST-tagged PH domain of PHLPP1 (unknown origin) by surface Plasmon resonance spectroscopy				J Med Chem 58: 2290-8 (2015) Article DOI: 10.1021/jm501751b BindingDB Entry DOI: 10.7270/Q20V8FGX
					More data for this Ligand-Target Pair