BindingDB PrimarySearch

BDBM50045772 3-((3R,4R)-1,3,4-Trimethyl-piperidin-4-yl)-phenol::3-(1,3,4-Trimethyl-piperidin-4-yl)-phenol::CHEMBL318723

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

InChI Key: InChIKey=XYCWBUDSPOTODB-SMDDNHRTSA-N

Data: 8 KI

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50045772
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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50045772 (3-((3R,4R)-1,3,4-Trimethyl-piperidin-4-yl)-phenol ...) Show SMILES C[C@H]1CN(C)CC[C@@]1(C)c1cccc(O)c1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor mu 1 using [3H]-Naloxone as radioligand.				J Med Chem 41: 4143-9 (1998) Article DOI: 10.1021/jm980290i BindingDB Entry DOI: 10.7270/Q2RB73Q6
Research Triangle Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50045772 (3-((3R,4R)-1,3,4-Trimethyl-piperidin-4-yl)-phenol ...) Show SMILES C[C@H]1CN(C)CC[C@@]1(C)c1cccc(O)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards mu-opioid receptor by the displacement of [3H]-Nal in rat brain homogenates				J Med Chem 36: 2842-50 (1993) BindingDB Entry DOI: 10.7270/Q2R78D9W
Lilly Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50045772 (3-((3R,4R)-1,3,4-Trimethyl-piperidin-4-yl)-phenol ...) Show SMILES C[C@H]1CN(C)CC[C@@]1(C)c1cccc(O)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards mu opioid receptor by displacement of [3H]-NAL from rat brain homogenates				J Med Chem 36: 2833-41 (1993) BindingDB Entry DOI: 10.7270/Q2W0951M
Lilly Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50045772 (3-((3R,4R)-1,3,4-Trimethyl-piperidin-4-yl)-phenol ...) Show SMILES C[C@H]1CN(C)CC[C@@]1(C)c1cccc(O)c1 Show InChI	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity was determined against Mu opioid receptor using [3H]-Naltrexone as radioligand				Bioorg Med Chem Lett 8: 3149-52 (1999) BindingDB Entry DOI: 10.7270/Q2S75FGQ
Research Triangle Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50045772 (3-((3R,4R)-1,3,4-Trimethyl-piperidin-4-yl)-phenol ...) Show SMILES C[C@H]1CN(C)CC[C@@]1(C)c1cccc(O)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	833	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor kappa 1 using [3H]-Ethylketocyclazocine as radioligand.				J Med Chem 41: 4143-9 (1998) Article DOI: 10.1021/jm980290i BindingDB Entry DOI: 10.7270/Q2RB73Q6
Research Triangle Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50045772 (3-((3R,4R)-1,3,4-Trimethyl-piperidin-4-yl)-phenol ...) Show SMILES C[C@H]1CN(C)CC[C@@]1(C)c1cccc(O)c1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	833	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards kappa-opioid receptor by displacement of [3H]-EKC at from guinea pig cortical tissue				J Med Chem 36: 2833-41 (1993) BindingDB Entry DOI: 10.7270/Q2W0951M
Lilly Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50045772 (3-((3R,4R)-1,3,4-Trimethyl-piperidin-4-yl)-phenol ...) Show SMILES C[C@H]1CN(C)CC[C@@]1(C)c1cccc(O)c1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	833	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity was determined against Opioid receptor kappa 1 using [3H]-Ethylketocyclazocine as radioligand				Bioorg Med Chem Lett 8: 3149-52 (1999) BindingDB Entry DOI: 10.7270/Q2S75FGQ
Research Triangle Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50045772 (3-((3R,4R)-1,3,4-Trimethyl-piperidin-4-yl)-phenol ...) Show SMILES C[C@H]1CN(C)CC[C@@]1(C)c1cccc(O)c1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	833	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards kappa opioid receptor by displacement of [3H]-EKC in guinea pig cortical tissue				J Med Chem 36: 2842-50 (1993) BindingDB Entry DOI: 10.7270/Q2R78D9W
Lilly Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair