BDBM50427338 CHEMBL2325990

SMILES: CC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(cc1)S(C)(=O)=O

InChI Key: InChIKey=VEWPUFBIMQZXRG-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 = 50427338   

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))	BDBM50427338 (CHEMBL2325990) Show SMILES CC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C21H26N6O3S/c1-14(15-3-5-16(6-4-15)31(2,29)30)26-20(28)21(22)8-11-27(12-9-21)19-17-7-10-23-18(17)24-13-25-19/h3-7,10,13-14H,8-9,11-12,22H2,1-2H3,(H,26,28)(H,23,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	805	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))	BDBM50427338 (CHEMBL2325990) Show SMILES CC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C21H26N6O3S/c1-14(15-3-5-16(6-4-15)31(2,29)30)26-20(28)21(22)8-11-27(12-9-21)19-17-7-10-23-18(17)24-13-25-19/h3-7,10,13-14H,8-9,11-12,22H2,1-2H3,(H,26,28)(H,23,24,25)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	183	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))	BDBM50427338 (CHEMBL2325990) Show SMILES CC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C21H26N6O3S/c1-14(15-3-5-16(6-4-15)31(2,29)30)26-20(28)21(22)8-11-27(12-9-21)19-17-7-10-23-18(17)24-13-25-19/h3-7,10,13-14H,8-9,11-12,22H2,1-2H3,(H,26,28)(H,23,24,25)	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	>3.33E+4	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))	BDBM50427338 (CHEMBL2325990) Show SMILES CC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C21H26N6O3S/c1-14(15-3-5-16(6-4-15)31(2,29)30)26-20(28)21(22)8-11-27(12-9-21)19-17-7-10-23-18(17)24-13-25-19/h3-7,10,13-14H,8-9,11-12,22H2,1-2H3,(H,26,28)(H,23,24,25)	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	756	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))	BDBM50427338 (CHEMBL2325990) Show SMILES CC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C21H26N6O3S/c1-14(15-3-5-16(6-4-15)31(2,29)30)26-20(28)21(22)8-11-27(12-9-21)19-17-7-10-23-18(17)24-13-25-19/h3-7,10,13-14H,8-9,11-12,22H2,1-2H3,(H,26,28)(H,23,24,25)	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	1.14E+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