BDBM50397811 CHEMBL2177840

SMILES: CC(C)(C)c1ccc(cc1)-n1c(nc2cccnc12)-c1cccnc1N

InChI Key: InChIKey=ZRZWDPLGTAJRFF-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50397811   

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))	BDBM50397811 (CHEMBL2177840) Show SMILES CC(C)(C)c1ccc(cc1)-n1c(nc2cccnc12)-c1cccnc1N Show InChI InChI=1S/C21H21N5/c1-21(2,3)14-8-10-15(11-9-14)26-19(16-6-4-12-23-18(16)22)25-17-7-5-13-24-20(17)26/h4-13H,1-3H3,(H2,22,23)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
ArQule Inc. Curated by ChEMBL					Assay Description Inhibition of Akt1 (1 to 480) expressed in Sf9 cells using biotin-GRPRTSSFAEG as substrate after 20 mins by Alpha-screen assay				J Med Chem 55: 5291-310 (2012) Article DOI: 10.1021/jm300276x BindingDB Entry DOI: 10.7270/Q2NK3G5J
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase AKT2 (Homo sapiens (Human))	BDBM50397811 (CHEMBL2177840) Show SMILES CC(C)(C)c1ccc(cc1)-n1c(nc2cccnc12)-c1cccnc1N Show InChI InChI=1S/C21H21N5/c1-21(2,3)14-8-10-15(11-9-14)26-19(16-6-4-12-23-18(16)22)25-17-7-5-13-24-20(17)26/h4-13H,1-3H3,(H2,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
ArQule Inc. Curated by ChEMBL					Assay Description Inhibition of full length unphosphorylated AKT2 (1 to 481 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotin-...				J Med Chem 59: 6455-69 (2016) Article DOI: 10.1021/acs.jmedchem.6b00619
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase AKT (Homo sapiens (Human))	BDBM50397811 (CHEMBL2177840) Show SMILES CC(C)(C)c1ccc(cc1)-n1c(nc2cccnc12)-c1cccnc1N Show InChI InChI=1S/C21H21N5/c1-21(2,3)14-8-10-15(11-9-14)26-19(16-6-4-12-23-18(16)22)25-17-7-5-13-24-20(17)26/h4-13H,1-3H3,(H2,22,23)	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	7.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
ArQule Inc. Curated by ChEMBL					Assay Description Inhibition of full length unphosphorylated AKT3 (1 to 479 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotin-...				J Med Chem 59: 6455-69 (2016) Article DOI: 10.1021/acs.jmedchem.6b00619
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50397811 (CHEMBL2177840) Show SMILES CC(C)(C)c1ccc(cc1)-n1c(nc2cccnc12)-c1cccnc1N Show InChI InChI=1S/C21H21N5/c1-21(2,3)14-8-10-15(11-9-14)26-19(16-6-4-12-23-18(16)22)25-17-7-5-13-24-20(17)26/h4-13H,1-3H3,(H2,22,23)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
ArQule Inc. Curated by ChEMBL					Assay Description Inhibition of full length unphosphorylated AKT1 (1 to 480 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotin-...				J Med Chem 59: 6455-69 (2016) Article DOI: 10.1021/acs.jmedchem.6b00619
					More data for this Ligand-Target Pair