BDBM50427357 CHEMBL2325732::US10654855, Example 58::US9492453, 58

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

InChI Key: InChIKey=TWNSSIKWSGKQOP-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 = 50427357   

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))	BDBM50427357 (CHEMBL2325732 | US10654855, Example 58 | US1123609...) Show SMILES CC(=O)NCC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H26ClN7O2/c1-14(31)26-12-18(15-2-4-16(23)5-3-15)29-21(32)22(24)7-10-30(11-8-22)20-17-6-9-25-19(17)27-13-28-20/h2-6,9,13,18H,7-8,10-12,24H2,1H3,(H,26,31)(H,29,32)(H,25,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	31	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))	BDBM50427357 (CHEMBL2325732 | US10654855, Example 58 | US1123609...) Show SMILES CC(=O)NCC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H26ClN7O2/c1-14(31)26-12-18(15-2-4-16(23)5-3-15)29-21(32)22(24)7-10-30(11-8-22)20-17-6-9-25-19(17)27-13-28-20/h2-6,9,13,18H,7-8,10-12,24H2,1H3,(H,26,31)(H,29,32)(H,25,27,28)	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 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))	BDBM50427357 (CHEMBL2325732 | US10654855, Example 58 | US1123609...) Show SMILES CC(=O)NCC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H26ClN7O2/c1-14(31)26-12-18(15-2-4-16(23)5-3-15)29-21(32)22(24)7-10-30(11-8-22)20-17-6-9-25-19(17)27-13-28-20/h2-6,9,13,18H,7-8,10-12,24H2,1H3,(H,26,31)(H,29,32)(H,25,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	31	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))	BDBM50427357 (CHEMBL2325732 | US10654855, Example 58 | US1123609...) Show SMILES CC(=O)NCC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H26ClN7O2/c1-14(31)26-12-18(15-2-4-16(23)5-3-15)29-21(32)22(24)7-10-30(11-8-22)20-17-6-9-25-19(17)27-13-28-20/h2-6,9,13,18H,7-8,10-12,24H2,1H3,(H,26,31)(H,29,32)(H,25,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt 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
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50427357 (CHEMBL2325732 | US10654855, Example 58 | US1123609...) Show SMILES CC(=O)NCC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H26ClN7O2/c1-14(31)26-12-18(15-2-4-16(23)5-3-15)29-21(32)22(24)7-10-30(11-8-22)20-17-6-9-25-19(17)27-13-28-20/h2-6,9,13,18H,7-8,10-12,24H2,1H3,(H,26,31)(H,29,32)(H,25,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	31	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))	BDBM50427357 (CHEMBL2325732 | US10654855, Example 58 | US1123609...) Show SMILES CC(=O)NCC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H26ClN7O2/c1-14(31)26-12-18(15-2-4-16(23)5-3-15)29-21(32)22(24)7-10-30(11-8-22)20-17-6-9-25-19(17)27-13-28-20/h2-6,9,13,18H,7-8,10-12,24H2,1H3,(H,26,31)(H,29,32)(H,25,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	182	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