BindingDB PrimarySearch

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SMILES: [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=O

InChI Key: InChIKey=KZTDMJBCZSGHOG-XJIZABAQSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 82083
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
Mas-related G-protein coupled receptor member X2 (Homo sapiens (Human))	BDBM82083 (Alpha-Neoendorphin \| CAS_69671-17-6 \| CB0427223) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.30E+3	n/a	n/a	7.4	30
University of North Carolina					Assay Description MRGPRX2 stable cells were maintained in DMEM containing 10% FBS, 100 μg/ml hygromycin B, and 15 μg/ml blasticidin. For the calcium mobiliza...				Nat Chem Biol 13: 529-536 (2017) Article DOI: 10.1038/nchembio.2334 BindingDB Entry DOI: 10.7270/Q20R9N82
University of North Carolina					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM82083 (Alpha-Neoendorphin \| CAS_69671-17-6 \| CB0427223) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	3.59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by PDSP K_i Database									J Pharmacol Exp Ther 286: 1007-13 (1998) BindingDB Entry DOI: 10.7270/Q2QC022N
					More data for this Ligand-Target Pair
Nociceptin receptor (MOUSE)	BDBM82083 (Alpha-Neoendorphin \| CAS_69671-17-6 \| CB0427223) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	192	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
McGill University Curated by PDSP K_i Database									Pharmacol Rev 53: 381-415 (2001) BindingDB Entry DOI: 10.7270/Q2QJ7FWB
McGill University Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM82083 (Alpha-Neoendorphin \| CAS_69671-17-6 \| CB0427223) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by PDSP K_i Database									Proc Natl Acad Sci U S A 81: 4983-7 (1984) Article DOI: 10.1073/pnas.81.15.4983 BindingDB Entry DOI: 10.7270/Q2JM284N
TBA Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Mu-type opioid receptor (MOUSE)	BDBM82083 (Alpha-Neoendorphin \| CAS_69671-17-6 \| CB0427223) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	2.15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by PDSP K_i Database									J Pharmacol Exp Ther 286: 1007-13 (1998) BindingDB Entry DOI: 10.7270/Q2QC022N
					More data for this Ligand-Target Pair