BDBM50398365 CHEMBL2177368

SMILES: C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(CC3)C(=O)[C@H](CNCC3CCOCC3)c3ccc(Cl)cc3)c12

InChI Key: InChIKey=ROHAVZMZAUESFZ-SXSPYAJSSA-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 = 50398365   

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))	BDBM50398365 (CHEMBL2177368) Show SMILES C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(CC3)C(=O)[C@H](CNCC3CCOCC3)c3ccc(Cl)cc3)c12 |r| Show InChI InChI=1S/C27H36ClN5O3/c1-18-14-23(34)25-24(18)26(31-17-30-25)32-8-10-33(11-9-32)27(35)22(20-2-4-21(28)5-3-20)16-29-15-19-6-12-36-13-7-19/h2-5,17-19,22-23,29,34H,6-16H2,1H3/t18-,22-,23-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL 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 Competitive inhibition of wild-type full-length amino-terminal polyhistidine-tagged human Akt1 expressed in recombinant baculovirus system using fluo...				J Med Chem 55: 8110-27 (2012) Article DOI: 10.1021/jm301024w BindingDB Entry DOI: 10.7270/Q20P1160
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase AKT2 (Homo sapiens (Human))	BDBM50398365 (CHEMBL2177368) Show SMILES C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(CC3)C(=O)[C@H](CNCC3CCOCC3)c3ccc(Cl)cc3)c12 |r| Show InChI InChI=1S/C27H36ClN5O3/c1-18-14-23(34)25-24(18)26(31-17-30-25)32-8-10-33(11-9-32)27(35)22(20-2-4-21(28)5-3-20)16-29-15-19-6-12-36-13-7-19/h2-5,17-19,22-23,29,34H,6-16H2,1H3/t18-,22-,23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Competitive inhibition of wild-type full-length amino-terminal polyhistidine-tagged human Akt2 expressed in recombinant baculovirus system using fluo...				J Med Chem 55: 8110-27 (2012) Article DOI: 10.1021/jm301024w BindingDB Entry DOI: 10.7270/Q20P1160
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase AKT (Homo sapiens (Human))	BDBM50398365 (CHEMBL2177368) Show SMILES C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(CC3)C(=O)[C@H](CNCC3CCOCC3)c3ccc(Cl)cc3)c12 |r| Show InChI InChI=1S/C27H36ClN5O3/c1-18-14-23(34)25-24(18)26(31-17-30-25)32-8-10-33(11-9-32)27(35)22(20-2-4-21(28)5-3-20)16-29-15-19-6-12-36-13-7-19/h2-5,17-19,22-23,29,34H,6-16H2,1H3/t18-,22-,23-/m1/s1	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	4	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Competitive inhibition of wild-type full-length amino-terminal polyhistidine-tagged human Akt3 expressed in recombinant baculovirus system using fluo...				J Med Chem 55: 8110-27 (2012) Article DOI: 10.1021/jm301024w BindingDB Entry DOI: 10.7270/Q20P1160
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50398365 (CHEMBL2177368) Show SMILES C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(CC3)C(=O)[C@H](CNCC3CCOCC3)c3ccc(Cl)cc3)c12 |r| Show InChI InChI=1S/C27H36ClN5O3/c1-18-14-23(34)25-24(18)26(31-17-30-25)32-8-10-33(11-9-32)27(35)22(20-2-4-21(28)5-3-20)16-29-15-19-6-12-36-13-7-19/h2-5,17-19,22-23,29,34H,6-16H2,1H3/t18-,22-,23-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	102	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc. Curated by ChEMBL					Assay Description Competitive inhibition of wild-type full-length amino-terminal polyhistidine-tagged human Akt1 expressed in recombinant baculovirus system using fluo...				J Med Chem 55: 8110-27 (2012) Article DOI: 10.1021/jm301024w BindingDB Entry DOI: 10.7270/Q20P1160
					More data for this Ligand-Target Pair