BDBM50427356 CHEMBL2325733::US10654855, Example 57::US9492453, 57

SMILES: NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(CS(N)(=O)=O)c1ccc(Cl)cc1

InChI Key: InChIKey=IWLDWBJBHVPZRX-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 6 hits for monomerid = 50427356   

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))	BDBM50427356 (CHEMBL2325733 | US10654855, Example 57 | US9492453...) Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(CS(N)(=O)=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H24ClN7O3S/c21-14-3-1-13(2-4-14)16(11-32(23,30)31)27-19(29)20(22)6-9-28(10-7-20)18-15-5-8-24-17(15)25-12-26-18/h1-5,8,12,16H,6-7,9-11,22H2,(H,27,29)(H2,23,30,31)(H,24,25,26)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	12	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-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50427356 (CHEMBL2325733 | US10654855, Example 57 | US9492453...) Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(CS(N)(=O)=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H24ClN7O3S/c21-14-3-1-13(2-4-14)16(11-32(23,30)31)27-19(29)20(22)6-9-28(10-7-20)18-15-5-8-24-17(15)25-12-26-18/h1-5,8,12,16H,6-7,9-11,22H2,(H,27,29)(H2,23,30,31)(H,24,25,26)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	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
AKT1/PPP1CA (Homo sapiens (Human))	US11236095, Example 57 (CHEMBL2325733 | US10654855, Example 57 | US9492453...) Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(CS(N)(=O)=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H24ClN7O3S/c21-14-3-1-13(2-4-14)16(11-32(23,30)31)27-19(29)20(22)6-9-28(10-7-20)18-15-5-8-24-17(15)25-12-26-18/h1-5,8,12,16H,6-7,9-11,22H2,(H,27,29)(H2,23,30,31)(H,24,25,26)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50427356 (CHEMBL2325733 | US10654855, Example 57 | US9492453...) Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(CS(N)(=O)=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H24ClN7O3S/c21-14-3-1-13(2-4-14)16(11-32(23,30)31)27-19(29)20(22)6-9-28(10-7-20)18-15-5-8-24-17(15)25-12-26-18/h1-5,8,12,16H,6-7,9-11,22H2,(H,27,29)(H2,23,30,31)(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	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
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50427356 (CHEMBL2325733 | US10654855, Example 57 | US9492453...) Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(CS(N)(=O)=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H24ClN7O3S/c21-14-3-1-13(2-4-14)16(11-32(23,30)31)27-19(29)20(22)6-9-28(10-7-20)18-15-5-8-24-17(15)25-12-26-18/h1-5,8,12,16H,6-7,9-11,22H2,(H,27,29)(H2,23,30,31)(H,24,25,26)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	12	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))	BDBM50427356 (CHEMBL2325733 | US10654855, Example 57 | US9492453...) Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(CS(N)(=O)=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H24ClN7O3S/c21-14-3-1-13(2-4-14)16(11-32(23,30)31)27-19(29)20(22)6-9-28(10-7-20)18-15-5-8-24-17(15)25-12-26-18/h1-5,8,12,16H,6-7,9-11,22H2,(H,27,29)(H2,23,30,31)(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	37	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