BDBM50427331 CHEMBL2325728::US10654855, Example 55::US9492453, 55

SMILES: NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@@H](CCN1CCCC1)c1ccc(Cl)cc1

InChI Key: InChIKey=KSXFPISTQAHGIE-NRFANRHFSA-N

Data: 7 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 8 hits for monomerid = 50427331   

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))	BDBM50427331 (CHEMBL2325728 | US10654855, Example 55 | US1123609...) Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@@H](CCN1CCCC1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H32ClN7O/c26-19-5-3-18(4-6-19)21(8-14-32-12-1-2-13-32)31-24(34)25(27)9-15-33(16-10-25)23-20-7-11-28-22(20)29-17-30-23/h3-7,11,17,21H,1-2,8-10,12-16,27H2,(H,31,34)(H,28,29,30)/t21-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.90	n/a	n/a	n/a	n/a	7.5	25
AstraZeneca AB US Patent					Assay Description This assay detects inhibitors of AKT1 (PKBα) kinase activity using Caliper LabChip LC3000. The Caliper off-chip incubation mobility shift assay...				US Patent US9492453 (2016) BindingDB Entry DOI: 10.7270/Q2KH0M83
					More data for this Ligand-Target Pair
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50427331 (CHEMBL2325728 | US10654855, Example 55 | US1123609...) Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@@H](CCN1CCCC1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H32ClN7O/c26-19-5-3-18(4-6-19)21(8-14-32-12-1-2-13-32)31-24(34)25(27)9-15-33(16-10-25)23-20-7-11-28-22(20)29-17-30-23/h3-7,11,17,21H,1-2,8-10,12-16,27H2,(H,31,34)(H,28,29,30)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	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))	BDBM50427331 (CHEMBL2325728 | US10654855, Example 55 | US1123609...) Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@@H](CCN1CCCC1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H32ClN7O/c26-19-5-3-18(4-6-19)21(8-14-32-12-1-2-13-32)31-24(34)25(27)9-15-33(16-10-25)23-20-7-11-28-22(20)29-17-30-23/h3-7,11,17,21H,1-2,8-10,12-16,27H2,(H,31,34)(H,28,29,30)/t21-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia 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
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
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50427331 (CHEMBL2325728 | US10654855, Example 55 | US1123609...) Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@@H](CCN1CCCC1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H32ClN7O/c26-19-5-3-18(4-6-19)21(8-14-32-12-1-2-13-32)31-24(34)25(27)9-15-33(16-10-25)23-20-7-11-28-22(20)29-17-30-23/h3-7,11,17,21H,1-2,8-10,12-16,27H2,(H,31,34)(H,28,29,30)/t21-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
RAC-gamma serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50427331 (CHEMBL2325728 | US10654855, Example 55 | US1123609...) Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@@H](CCN1CCCC1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H32ClN7O/c26-19-5-3-18(4-6-19)21(8-14-32-12-1-2-13-32)31-24(34)25(27)9-15-33(16-10-25)23-20-7-11-28-22(20)29-17-30-23/h3-7,11,17,21H,1-2,8-10,12-16,27H2,(H,31,34)(H,28,29,30)/t21-/m0/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	18	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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50427331 (CHEMBL2325728 | US10654855, Example 55 | US1123609...) Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@@H](CCN1CCCC1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H32ClN7O/c26-19-5-3-18(4-6-19)21(8-14-32-12-1-2-13-32)31-24(34)25(27)9-15-33(16-10-25)23-20-7-11-28-22(20)29-17-30-23/h3-7,11,17,21H,1-2,8-10,12-16,27H2,(H,31,34)(H,28,29,30)/t21-/m0/s1	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	2.10E+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
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50427331 (CHEMBL2325728 | US10654855, Example 55 | US1123609...) Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@@H](CCN1CCCC1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H32ClN7O/c26-19-5-3-18(4-6-19)21(8-14-32-12-1-2-13-32)31-24(34)25(27)9-15-33(16-10-25)23-20-7-11-28-22(20)29-17-30-23/h3-7,11,17,21H,1-2,8-10,12-16,27H2,(H,31,34)(H,28,29,30)/t21-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description For Echo dosing the solvent was 100% DMSO. A master plate was prepared with 40 ul of 10 mM stock from our Primary Liquid Store in quadrant 1 of a Lab...				US Patent US10654855 (2020)
					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50427331 (CHEMBL2325728 | US10654855, Example 55 | US1123609...) Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@@H](CCN1CCCC1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C25H32ClN7O/c26-19-5-3-18(4-6-19)21(8-14-32-12-1-2-13-32)31-24(34)25(27)9-15-33(16-10-25)23-20-7-11-28-22(20)29-17-30-23/h3-7,11,17,21H,1-2,8-10,12-16,27H2,(H,31,34)(H,28,29,30)/t21-/m0/s1	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	39	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