BindingDB PrimarySearch

BDBM50311409 CHEMBL1077375::N-((6R,9R,12R,15R,18R,21R,31R)-1-amino-31-(4-aminobutyl)-6-carbamoyl-9,12,15,18,21-pentakis(3-guanidinopropyl)-1-imino-8,11,14,17,20,23,30,33-octaoxo-2,7,10,13,16,19,22,29,32-nonaazaoctatriacontan-38-yl)-5-(2-aminopyrimidin-4-yl)thiophene-2-carboxamide

SMILES: [#7]-[#6]-[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-c1ccc(s1)-c1ccnc(-[#7])n1)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#7])=O

InChI Key: InChIKey=MAAJGIGLUACQAJ-DQVPDUJDSA-N

Data: 3 IC50 1 Kd

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50311409
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50311409 (CHEMBL1077375 \| N-((6R,9R,12R,15R,18R,21R,31R)-1-a...) Show SMILES Show InChI	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	n/a	0.00560	n/a	n/a	n/a	n/a	n/a
University of Tartu Curated by ChEMBL					Assay Description Displacement of fluorescent-ARC-1063 from His6-tagged recombinant human ROCK2 by luminescence intensity assay				Bioorg Med Chem Lett 22: 3425-30 (2012) Article DOI: 10.1016/j.bmcl.2012.03.101 BindingDB Entry DOI: 10.7270/Q2GT5P5N
University of Tartu Curated by ChEMBL					More data for this Ligand-Target Pair
Rho-associated protein kinase 2 (Homo sapiens (Human))	BDBM50311409 (CHEMBL1077375 \| N-((6R,9R,12R,15R,18R,21R,31R)-1-a...) Show SMILES Show InChI	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	2.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Tartu Curated by ChEMBL					Assay Description Displacement of fluorescent-ARC-1063 from His6-tagged recombinant human ROCK2 by luminescence intensity assay				Bioorg Med Chem Lett 22: 3425-30 (2012) Article DOI: 10.1016/j.bmcl.2012.03.101 BindingDB Entry DOI: 10.7270/Q2GT5P5N
University of Tartu Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase AKT (Homo sapiens (Human))	BDBM50311409 (CHEMBL1077375 \| N-((6R,9R,12R,15R,18R,21R,31R)-1-a...) Show SMILES Show InChI	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	12	n/a	n/a	n/a	n/a	n/a	n/a
University of Tartu Curated by ChEMBL					Assay Description Inhibition of PKBgamma in presence of 100 uM ATP				Bioorg Med Chem Lett 19: 6098-101 (2009) Article DOI: 10.1016/j.bmcl.2009.09.026 BindingDB Entry DOI: 10.7270/Q2JM29R4
University of Tartu Curated by ChEMBL					More data for this Ligand-Target Pair
cAMP-dependent protein kinase (PKA) (Homo sapiens (Human))	BDBM50311409 (CHEMBL1077375 \| N-((6R,9R,12R,15R,18R,21R,31R)-1-a...) Show SMILES Show InChI	PDB MMDB NCI pathway 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	5.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Tartu Curated by ChEMBL					Assay Description Inhibition of PKACalpha in presence of 1000 uM ATP				Bioorg Med Chem Lett 19: 6098-101 (2009) Article DOI: 10.1016/j.bmcl.2009.09.026 BindingDB Entry DOI: 10.7270/Q2JM29R4
University of Tartu Curated by ChEMBL					More data for this Ligand-Target Pair