BindingDB PrimarySearch

BDBM50176263 3-((1R,2R)-2-((dimethylamino)methyl)-1-hydroxycyclohexyl)phenol::CHEMBL1400::O-DESMETHYL TRAMADOL::Ultracet::rel-3-((1R,2R)-2-((dimethylamino)methyl)-1-hydroxycyclohexyl)phenol

SMILES: CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1

InChI Key: InChIKey=UWJUQVWARXYRCG-HIFRSBDPSA-N

Data: 7 KI 6 IC50 2 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50176263
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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50176263 (3-((1R,2R)-2-((dimethylamino)methyl)-1-hydroxycycl...) Show SMILES CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1 \|r\| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from human DOR expressed in CHO cell membranes after 60 mins				ACS Med Chem Lett 7: 391-6 (2016) BindingDB Entry DOI: 10.7270/Q2R78H4W
Fudan University Curated by ChEMBL					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50176263 (3-((1R,2R)-2-((dimethylamino)methyl)-1-hydroxycycl...) Show SMILES CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1 \|r\| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human KOR expressed in CHO cell membranes after 60 mins				ACS Med Chem Lett 7: 391-6 (2016) BindingDB Entry DOI: 10.7270/Q2R78H4W
Fudan University Curated by ChEMBL					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50176263 (3-((1R,2R)-2-((dimethylamino)methyl)-1-hydroxycycl...) Show SMILES CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1 \|r\| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rensselaer Polytechnic Institute Curated by ChEMBL					Assay Description Activity at human cloned mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 19: 203-8 (2008) Article DOI: 10.1016/j.bmcl.2008.10.134 BindingDB Entry DOI: 10.7270/Q2RX9D1K
Rensselaer Polytechnic Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50176263 (3-((1R,2R)-2-((dimethylamino)methyl)-1-hydroxycycl...) Show SMILES CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1 \|r\| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]naloxone from human MOR expressed in CHO-K1 cell membranes after 60 mins by microbeta scintillation counting method				ACS Med Chem Lett 7: 391-6 (2016) BindingDB Entry DOI: 10.7270/Q2R78H4W
Fudan University Curated by ChEMBL					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50176263 (3-((1R,2R)-2-((dimethylamino)methyl)-1-hydroxycycl...) Show SMILES CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1 \|r\| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins				ACS Med Chem Lett 7: 391-6 (2016) BindingDB Entry DOI: 10.7270/Q2R78H4W
Fudan University Curated by ChEMBL					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50176263 (3-((1R,2R)-2-((dimethylamino)methyl)-1-hydroxycycl...) Show SMILES CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1 \|r\| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rensselaer Polytechnic Institute Curated by ChEMBL					Assay Description Activity at human cloned kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 19: 203-8 (2008) Article DOI: 10.1016/j.bmcl.2008.10.134 BindingDB Entry DOI: 10.7270/Q2RX9D1K
Rensselaer Polytechnic Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50176263 (3-((1R,2R)-2-((dimethylamino)methyl)-1-hydroxycycl...) Show SMILES CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1 \|r\| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rensselaer Polytechnic Institute Curated by ChEMBL					Assay Description Displacement of [3H]Naltrindole form human delta opioid receptor expressed in CHO cells				Bioorg Med Chem Lett 19: 203-8 (2008) Article DOI: 10.1016/j.bmcl.2008.10.134 BindingDB Entry DOI: 10.7270/Q2RX9D1K
Rensselaer Polytechnic Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50176263 (3-((1R,2R)-2-((dimethylamino)methyl)-1-hydroxycycl...) Show SMILES CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1 \|r\| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of reuptake of 5HT				Bioorg Med Chem Lett 16: 691-4 (2005) Article DOI: 10.1016/j.bmcl.2005.10.024 BindingDB Entry DOI: 10.7270/Q2MG7Q9D
Sepracor Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50176263 (3-((1R,2R)-2-((dimethylamino)methyl)-1-hydroxycycl...) Show SMILES CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1 \|r\| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	240	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Agonist activity at human MOR expressed in CHO cell membranes after 60 mins by [35S]GTP-gamma-S binding assay				ACS Med Chem Lett 7: 391-6 (2016) BindingDB Entry DOI: 10.7270/Q2R78H4W
Fudan University Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50176263 (3-((1R,2R)-2-((dimethylamino)methyl)-1-hydroxycycl...) Show SMILES CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1 \|r\| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of SERT mediated 5-hydroxytryptamine uptake				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
Sepracor Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50176263 (3-((1R,2R)-2-((dimethylamino)methyl)-1-hydroxycycl...) Show SMILES CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1 \|r\| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of NET mediated norepinephrine uptake				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
Sepracor Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50176263 (3-((1R,2R)-2-((dimethylamino)methyl)-1-hydroxycycl...) Show SMILES CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1 \|r\| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of mu opioid receptor				Bioorg Med Chem Lett 16: 691-4 (2005) Article DOI: 10.1016/j.bmcl.2005.10.024 BindingDB Entry DOI: 10.7270/Q2MG7Q9D
Sepracor Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50176263 (3-((1R,2R)-2-((dimethylamino)methyl)-1-hydroxycycl...) Show SMILES CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1 \|r\| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Inhibition of reuptake of Norepinephrine				Bioorg Med Chem Lett 16: 691-4 (2005) Article DOI: 10.1016/j.bmcl.2005.10.024 BindingDB Entry DOI: 10.7270/Q2MG7Q9D
Sepracor Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50176263 (3-((1R,2R)-2-((dimethylamino)methyl)-1-hydroxycycl...) Show SMILES CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1 \|r\| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	120	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at human mu opioid receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation after 1 hr by HTRF ...				ACS Med Chem Lett 3: 227-231 (2012) Article DOI: 10.1021/ml200268w BindingDB Entry DOI: 10.7270/Q2TX3GF4
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50176263 (3-((1R,2R)-2-((dimethylamino)methyl)-1-hydroxycycl...) Show SMILES CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1 \|r\| Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Sepracor Inc. Curated by ChEMBL					Assay Description Binding affinity to mu opioid receptor				Bioorg Med Chem Lett 18: 1674-80 (2008) Article DOI: 10.1016/j.bmcl.2008.01.051 BindingDB Entry DOI: 10.7270/Q2VQ33HQ
Sepracor Inc. Curated by ChEMBL					More data for this Ligand-Target Pair