BindingDB PrimarySearch

BDBM21842 (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-{2-[(2S,3R)-2-[(2S)-2-(2-{2-[(2S)-2-amino-3-phenylpropanamido]acetamido}acetamido)-3-phenylpropanamido]-3-hydroxybutanamido]acetamido}propanamido]-5-carbamimidamidopentanamido]hexanamido]-3-hydroxypropanamido]propanamido]-5-carbamimidamidopentanamido]hexanamido]-4-methylpentanamido]propanamido]butanediamido]-4-carbamoylbutanoic acid::N/OFQ::OFQ 1-17::OFQ/N::Orphanin FQ::[125I]-nociceptin::nociceptin

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

InChI Key: InChIKey=PULGYDLMFSFVBL-SMFNREODSA-N

Data: 13 KI 1 Kd 4 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 21842
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
Nociceptin/Orphanin FQ, NOP receptor (MOUSE)	BDBM21842 ((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	PubMed	0.00700	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
Nociceptin receptor (Homo sapiens (Human))	BDBM21842 ((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Binding affinity for human nociceptin (NOP) receptor using [3H]N/OFQ as radioligand transfected into CHO cells				Bioorg Med Chem Lett 14: 181-5 (2003) BindingDB Entry DOI: 10.7270/Q24X58BV
SRI International Curated by ChEMBL					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM21842 ((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	0.130	-13.3	n/a	n/a	n/a	n/a	n/a	7.4	22
Istituto Superiore di Sanita					Assay Description IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...				J Med Chem 51: 1058-62 (2008) Article DOI: 10.1021/jm7009606 BindingDB Entry DOI: 10.7270/Q2HT2MMT
Istituto Superiore di Sanita					More data for this Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor (MOUSE)	BDBM21842 ((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	PubMed	0.170	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
Nociceptin receptor (Homo sapiens (Human))	BDBM21842 ((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma L. P. Curated by ChEMBL					Assay Description Affinity for human Opioid receptor like 1 (ORL-1) expressed in HEK293 cells				J Med Chem 45: 5280-6 (2002) BindingDB Entry DOI: 10.7270/Q2474BKJ
Purdue Pharma L. P. Curated by ChEMBL					More data for this Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor (RAT)	BDBM21842 ((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by PDSP K_i Database									J Chem Neuroanat 25: 233-47 (2003) Article DOI: 10.1016/s0891-0618(03)00032-2 BindingDB Entry DOI: 10.7270/Q2XP73G2
University of Michigan Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor (MOUSE)	BDBM21842 ((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	PubMed	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Torrey Pines Institute for Molecular Studies Curated by PDSP K_i Database									J Pharmacol Exp Ther 283: 735-41 (1997) BindingDB Entry DOI: 10.7270/Q2JW8CDH
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM21842 ((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	3.03E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto Superiore di Sanita					Assay Description IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...				J Med Chem 51: 1058-62 (2008) Article DOI: 10.1021/jm7009606 BindingDB Entry DOI: 10.7270/Q2HT2MMT
Istituto Superiore di Sanita					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM21842 ((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG 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
University of Michigan Curated by PDSP K_i Database									J Chem Neuroanat 25: 233-47 (2003) Article DOI: 10.1016/s0891-0618(03)00032-2 BindingDB Entry DOI: 10.7270/Q2XP73G2
University of Michigan Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM21842 ((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG 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
University of Michigan Curated by PDSP K_i Database									J Chem Neuroanat 25: 233-47 (2003) Article DOI: 10.1016/s0891-0618(03)00032-2 BindingDB Entry DOI: 10.7270/Q2XP73G2
University of Michigan Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM21842 ((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG 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
University of Michigan Curated by PDSP K_i Database									J Chem Neuroanat 25: 233-47 (2003) Article DOI: 10.1016/s0891-0618(03)00032-2 BindingDB Entry DOI: 10.7270/Q2XP73G2
University of Michigan Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM21842 ((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG 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
Istituto Superiore di Sanita					Assay Description IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...				J Med Chem 51: 1058-62 (2008) Article DOI: 10.1021/jm7009606 BindingDB Entry DOI: 10.7270/Q2HT2MMT
Istituto Superiore di Sanita					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM21842 ((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG 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
Istituto Superiore di Sanita					Assay Description IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...				J Med Chem 51: 1058-62 (2008) Article DOI: 10.1021/jm7009606 BindingDB Entry DOI: 10.7270/Q2HT2MMT
Istituto Superiore di Sanita					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM21842 ((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	0.0800	n/a	n/a	n/a	n/a
Schering Plough Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for increase in [35S]GTP-gamma-S, binding for human ORL1 receptor carried out in CHO cell membranes ; Nd: no data				Bioorg Med Chem Lett 12: 3157-60 (2002) BindingDB Entry DOI: 10.7270/Q2KK9C9R
Schering Plough Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM21842 ((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	0.450	n/a	n/a	n/a	n/a
Purdue Pharma L. P. Curated by ChEMBL					Assay Description Affinity for human Opioid receptor like 1 (ORL-1) expressed in HEK293 cells				J Med Chem 45: 5280-6 (2002) BindingDB Entry DOI: 10.7270/Q2474BKJ
Purdue Pharma L. P. Curated by ChEMBL					More data for this Ligand-Target Pair
Nociceptin receptor (Homo sapiens (Human))	BDBM21842 ((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
SRI International Curated by ChEMBL					Assay Description Concentration required to stimulate [35S]GTP-gamma-S, binding to human NOP receptor in cell membrane				Bioorg Med Chem Lett 14: 181-5 (2003) BindingDB Entry DOI: 10.7270/Q24X58BV
SRI International Curated by ChEMBL					More data for this Ligand-Target Pair
Nociceptin/mu opioid receptor (RAT)	BDBM21842 ((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	63	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Affinity for alpha4-beta1 integrin from HL60 cell lysate				Bioorg Med Chem Lett 10: 831-4 (2000) BindingDB Entry DOI: 10.7270/Q2N29XG2
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Nociceptin/Orphanin FQ, NOP receptor (RAT)	BDBM21842 ((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Compound was tested for inhibition against binding of radioligand [leucyl-3H]-OFQ to membrane of human embryonic kidney 293 cells overexpressing rat ...				Bioorg Med Chem Lett 10: 831-4 (2000) BindingDB Entry DOI: 10.7270/Q2N29XG2
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair