BindingDB PrimarySearch

BDBM50297347 (2S,5S,8S,13S,Z)-13-((S)-2-(2-(2-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)acetamido)-3-phenylpropanamido)-N-((S)-1-((S)-2-((S)-1,6-diamino-1-oxohexan-2-ylcarbamoyl)pyrrolidin-1-yl)-5-guanidino-1-oxopentan-2-yl)-2,5-bis(3-guanidinopropyl)-3,6,14-trioxo-1,4,7-triazacyclotetradec-10-ene-8-carboxamide::CHEMBL555959::CHEMBL564095

SMILES: [#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]=[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c2ccc(-[#8])cc2)-[#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]-1)-[#6](-[#7])=O

InChI Key: InChIKey=ONFRURLSNRTCHZ-NVAZTIMOSA-N

Data: 6 KI 2 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50297347
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 (Rattus norvegicus (rat))	BDBM50297347 ((2S,5S,8S,13S,Z)-13-((S)-2-(2-(2-((S)-2-amino-3-(4...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]Diprenorphine from rat kappa opioid receptor expressed in CHO cells				J Med Chem 52: 5619-25 (2009) Article DOI: 10.1021/jm900577k BindingDB Entry DOI: 10.7270/Q2QN66T6
The University of Kansas Curated by ChEMBL					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50297347 ((2S,5S,8S,13S,Z)-13-((S)-2-(2-(2-((S)-2-amino-3-(4...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]Diprenorphine from rat kappa opioid receptor expressed in CHO cells				J Med Chem 52: 5619-25 (2009) Article DOI: 10.1021/jm900577k BindingDB Entry DOI: 10.7270/Q2QN66T6
The University of Kansas Curated by ChEMBL					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50297347 ((2S,5S,8S,13S,Z)-13-((S)-2-(2-(2-((S)-2-amino-3-(4...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from rat mu opioid receptor expressed in CHO cells				J Med Chem 52: 5619-25 (2009) Article DOI: 10.1021/jm900577k BindingDB Entry DOI: 10.7270/Q2QN66T6
The University of Kansas Curated by ChEMBL					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50297347 ((2S,5S,8S,13S,Z)-13-((S)-2-(2-(2-((S)-2-amino-3-(4...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from rat mu opioid receptor expressed in CHO cells				J Med Chem 52: 5619-25 (2009) Article DOI: 10.1021/jm900577k BindingDB Entry DOI: 10.7270/Q2QN66T6
The University of Kansas Curated by ChEMBL					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50297347 ((2S,5S,8S,13S,Z)-13-((S)-2-(2-(2-((S)-2-amino-3-(4...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from mouse delta opioid receptor expressed in CHO cells				J Med Chem 52: 5619-25 (2009) Article DOI: 10.1021/jm900577k BindingDB Entry DOI: 10.7270/Q2QN66T6
The University of Kansas Curated by ChEMBL					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50297347 ((2S,5S,8S,13S,Z)-13-((S)-2-(2-(2-((S)-2-amino-3-(4...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.21E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from mouse delta opioid receptor expressed in CHO cells				J Med Chem 52: 5619-25 (2009) Article DOI: 10.1021/jm900577k BindingDB Entry DOI: 10.7270/Q2QN66T6
The University of Kansas Curated by ChEMBL					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50297347 ((2S,5S,8S,13S,Z)-13-((S)-2-(2-(2-((S)-2-amino-3-(4...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	8.30	n/a	n/a	n/a	n/a
The University of Kansas Curated by ChEMBL					Assay Description Agonist activity at rat cloned kappa opioid receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP production by scintillat...				J Med Chem 52: 5619-25 (2009) Article DOI: 10.1021/jm900577k BindingDB Entry DOI: 10.7270/Q2QN66T6
The University of Kansas Curated by ChEMBL					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50297347 ((2S,5S,8S,13S,Z)-13-((S)-2-(2-(2-((S)-2-amino-3-(4...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	23	n/a	n/a	n/a	n/a
The University of Kansas Curated by ChEMBL					Assay Description Agonist activity at rat cloned kappa opioid receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP production by scintillat...				J Med Chem 52: 5619-25 (2009) Article DOI: 10.1021/jm900577k BindingDB Entry DOI: 10.7270/Q2QN66T6
The University of Kansas Curated by ChEMBL					More data for this Ligand-Target Pair