BindingDB PrimarySearch

BDBM50252860 (S)-N-((S)-1,6-diamino-1-oxohexan-2-yl)-1-((S)-5-guanidino-2-((2S,3S)-2-((S)-5-guanidino-2-((S)-5-guanidino-2-((S)-2-((S)-2-(2-(2-((S)-3-(4-hydroxy-2,6-dimethylphenyl)-2-methylpropanamido)acetamido)acetamido)-3-phenylpropanamido)-4-methylpentanamido)pentanamido)pentanamido)-3-methylpentanamido)pentanoyl)pyrrolidine-2-carboxamide::CHEMBL506821::[(2S)-Mdp1]Dyn A(1-11)-NH2

SMILES: [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6])-[#6]-c1c(-[#6])cc(-[#8])cc1-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O

InChI Key: InChIKey=ZLVUENKUDNMVML-XKPZCRAXSA-N

Data: 6 KI

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50252860
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
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50252860 ((S)-N-((S)-1,6-diamino-1-oxohexan-2-yl)-1-((S)-5-g...) Show SMILES Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.823	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Binding affinity was measured on opioid receptor kappa 1				J Med Chem 44: 3048-53 (2001) BindingDB Entry DOI: 10.7270/Q28K79SN
Clinical Research Institute of Montreal Curated by ChEMBL					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50252860 ((S)-N-((S)-1,6-diamino-1-oxohexan-2-yl)-1-((S)-5-g...) Show SMILES Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.823	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain membrane				J Med Chem 51: 5866-70 (2008) Article DOI: 10.1021/jm8004702 BindingDB Entry DOI: 10.7270/Q20G3K0M
National University of Singapore Curated by ChEMBL					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50252860 ((S)-N-((S)-1,6-diamino-1-oxohexan-2-yl)-1-((S)-5-g...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	163	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Binding affinity was measured on delta opioid receptor				J Med Chem 44: 3048-53 (2001) BindingDB Entry DOI: 10.7270/Q28K79SN
Clinical Research Institute of Montreal Curated by ChEMBL					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50252860 ((S)-N-((S)-1,6-diamino-1-oxohexan-2-yl)-1-((S)-5-g...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	163	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane				J Med Chem 51: 5866-70 (2008) Article DOI: 10.1021/jm8004702 BindingDB Entry DOI: 10.7270/Q20G3K0M
National University of Singapore Curated by ChEMBL					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50252860 ((S)-N-((S)-1,6-diamino-1-oxohexan-2-yl)-1-((S)-5-g...) Show SMILES Show InChI	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	213	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Binding affinity was measured on mu opioid receptor				J Med Chem 44: 3048-53 (2001) BindingDB Entry DOI: 10.7270/Q28K79SN
Clinical Research Institute of Montreal Curated by ChEMBL					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50252860 ((S)-N-((S)-1,6-diamino-1-oxohexan-2-yl)-1-((S)-5-g...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	213	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of Singapore Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane				J Med Chem 51: 5866-70 (2008) Article DOI: 10.1021/jm8004702 BindingDB Entry DOI: 10.7270/Q20G3K0M
National University of Singapore Curated by ChEMBL					More data for this Ligand-Target Pair