BDBM50427337 CHEMBL2325991

SMILES: COc1ccc(cc1OC)C(C)NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12

InChI Key: InChIKey=IYQIOQXDNPZMSK-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50427337   

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 AKT2 (Homo sapiens (Human))	BDBM50427337 (CHEMBL2325991) Show SMILES COc1ccc(cc1OC)C(C)NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12 Show InChI InChI=1S/C22H28N6O3/c1-14(15-4-5-17(30-2)18(12-15)31-3)27-21(29)22(23)7-10-28(11-8-22)20-16-6-9-24-19(16)25-13-26-20/h4-6,9,12-14H,7-8,10-11,23H2,1-3H3,(H,27,29)(H,24,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant Akt2 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...				J Med Chem 56: 2059-73 (2013) Article DOI: 10.1021/jm301762v BindingDB Entry DOI: 10.7270/Q2QR4ZFN
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50427337 (CHEMBL2325991) Show SMILES COc1ccc(cc1OC)C(C)NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12 Show InChI InChI=1S/C22H28N6O3/c1-14(15-4-5-17(30-2)18(12-15)31-3)27-21(29)22(23)7-10-28(11-8-22)20-16-6-9-24-19(16)25-13-26-20/h4-6,9,12-14H,7-8,10-11,23H2,1-3H3,(H,27,29)(H,24,25,26)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant Akt1 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...				J Med Chem 56: 2059-73 (2013) Article DOI: 10.1021/jm301762v BindingDB Entry DOI: 10.7270/Q2QR4ZFN
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50427337 (CHEMBL2325991) Show SMILES COc1ccc(cc1OC)C(C)NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12 Show InChI InChI=1S/C22H28N6O3/c1-14(15-4-5-17(30-2)18(12-15)31-3)27-21(29)22(23)7-10-28(11-8-22)20-16-6-9-24-19(16)25-13-26-20/h4-6,9,12-14H,7-8,10-11,23H2,1-3H3,(H,27,29)(H,24,25,26)	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+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHO cells by ionworks assay				J Med Chem 56: 2059-73 (2013) Article DOI: 10.1021/jm301762v BindingDB Entry DOI: 10.7270/Q2QR4ZFN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase AKT (Homo sapiens (Human))	BDBM50427337 (CHEMBL2325991) Show SMILES COc1ccc(cc1OC)C(C)NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12 Show InChI InChI=1S/C22H28N6O3/c1-14(15-4-5-17(30-2)18(12-15)31-3)27-21(29)22(23)7-10-28(11-8-22)20-16-6-9-24-19(16)25-13-26-20/h4-6,9,12-14H,7-8,10-11,23H2,1-3H3,(H,27,29)(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant Akt3 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...				J Med Chem 56: 2059-73 (2013) Article DOI: 10.1021/jm301762v BindingDB Entry DOI: 10.7270/Q2QR4ZFN
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50427337 (CHEMBL2325991) Show SMILES COc1ccc(cc1OC)C(C)NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12 Show InChI InChI=1S/C22H28N6O3/c1-14(15-4-5-17(30-2)18(12-15)31-3)27-21(29)22(23)7-10-28(11-8-22)20-16-6-9-24-19(16)25-13-26-20/h4-6,9,12-14H,7-8,10-11,23H2,1-3H3,(H,27,29)(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant ROCK2 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift as...				J Med Chem 56: 2059-73 (2013) Article DOI: 10.1021/jm301762v BindingDB Entry DOI: 10.7270/Q2QR4ZFN
					More data for this Ligand-Target Pair