BDBM50021322 3-(3-Methyl-1-phenethyl-piperidin-3-yl)-phenol::3-(3-Methyl-1-phenethyl-piperidin-3-yl)-phenol:hydrochloricacid::CHEMBL150967

SMILES: CC1(CCCN(CCc2ccccc2)C1)c1cccc(O)c1

InChI Key: InChIKey=QAJCKAPTERIRDY-UHFFFAOYSA-N

Data: 6 IC50  10 Kd

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50021322   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50021322 (3-(3-Methyl-1-phenethyl-piperidin-3-yl)-phenol | 3...) Show SMILES CC1(CCCN(CCc2ccccc2)C1)c1cccc(O)c1 Show InChI InChI=1S/C20H25NO/c1-20(18-9-5-10-19(22)15-18)12-6-13-21(16-20)14-11-17-7-3-2-4-8-17/h2-5,7-10,15,22H,6,11-14,16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Mu2 opioid receptor affinity against the receptor site model site 2 (mu2) by using the curve-fitting program LIGAND				J Med Chem 29: 531-7 (1986) BindingDB Entry DOI: 10.7270/Q2WH2QKX
					More data for this Ligand-Target Pair
Opioid receptor (Rattus norvegicus (rat)-RAT)	BDBM50021322 (3-(3-Methyl-1-phenethyl-piperidin-3-yl)-phenol | 3...) Show SMILES CC1(CCCN(CCc2ccccc2)C1)c1cccc(O)c1 Show InChI InChI=1S/C20H25NO/c1-20(18-9-5-10-19(22)15-18)12-6-13-21(16-20)14-11-17-7-3-2-4-8-17/h2-5,7-10,15,22H,6,11-14,16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]naloxone receptor binding to opioid receptor in the presence of 100 mM NaCl				J Med Chem 29: 531-7 (1986) BindingDB Entry DOI: 10.7270/Q2WH2QKX
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50021322 (3-(3-Methyl-1-phenethyl-piperidin-3-yl)-phenol | 3...) Show SMILES CC1(CCCN(CCc2ccccc2)C1)c1cccc(O)c1 Show InChI InChI=1S/C20H25NO/c1-20(18-9-5-10-19(22)15-18)12-6-13-21(16-20)14-11-17-7-3-2-4-8-17/h2-5,7-10,15,22H,6,11-14,16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	179	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Opioid receptor affinity against Opioid receptor kappa 1 by using the curve-fitting program LIGAND				J Med Chem 29: 531-7 (1986) BindingDB Entry DOI: 10.7270/Q2WH2QKX
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50021322 (3-(3-Methyl-1-phenethyl-piperidin-3-yl)-phenol | 3...) Show SMILES CC1(CCCN(CCc2ccccc2)C1)c1cccc(O)c1 Show InChI InChI=1S/C20H25NO/c1-20(18-9-5-10-19(22)15-18)12-6-13-21(16-20)14-11-17-7-3-2-4-8-17/h2-5,7-10,15,22H,6,11-14,16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Mu2 opioid receptor affinity against the receptor site model site 2 (mu2) by using the curve-fitting program LIGAND				J Med Chem 29: 531-7 (1986) BindingDB Entry DOI: 10.7270/Q2WH2QKX
					More data for this Ligand-Target Pair
Opioid receptor (Rattus norvegicus (rat)-RAT)	BDBM50021322 (3-(3-Methyl-1-phenethyl-piperidin-3-yl)-phenol | 3...) Show SMILES CC1(CCCN(CCc2ccccc2)C1)c1cccc(O)c1 Show InChI InChI=1S/C20H25NO/c1-20(18-9-5-10-19(22)15-18)12-6-13-21(16-20)14-11-17-7-3-2-4-8-17/h2-5,7-10,15,22H,6,11-14,16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]naloxone receptor binding to opioid receptor in the presence of 100 mM NaCl				J Med Chem 29: 531-7 (1986) BindingDB Entry DOI: 10.7270/Q2WH2QKX
					More data for this Ligand-Target Pair
Opioid receptor (Rattus norvegicus (rat)-RAT)	BDBM50021322 (3-(3-Methyl-1-phenethyl-piperidin-3-yl)-phenol | 3...) Show SMILES CC1(CCCN(CCc2ccccc2)C1)c1cccc(O)c1 Show InChI InChI=1S/C20H25NO/c1-20(18-9-5-10-19(22)15-18)12-6-13-21(16-20)14-11-17-7-3-2-4-8-17/h2-5,7-10,15,22H,6,11-14,16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]naloxone receptor binding to opioid receptor in the absence of NaCl				J Med Chem 29: 531-7 (1986) BindingDB Entry DOI: 10.7270/Q2WH2QKX
					More data for this Ligand-Target Pair
Opioid receptor (Rattus norvegicus (rat)-RAT)	BDBM50021322 (3-(3-Methyl-1-phenethyl-piperidin-3-yl)-phenol | 3...) Show SMILES CC1(CCCN(CCc2ccccc2)C1)c1cccc(O)c1 Show InChI InChI=1S/C20H25NO/c1-20(18-9-5-10-19(22)15-18)12-6-13-21(16-20)14-11-17-7-3-2-4-8-17/h2-5,7-10,15,22H,6,11-14,16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]naloxone receptor binding to opioid receptor in the absence of NaCl				J Med Chem 29: 531-7 (1986) BindingDB Entry DOI: 10.7270/Q2WH2QKX
					More data for this Ligand-Target Pair
Opioid receptor (Rattus norvegicus (rat)-RAT)	BDBM50021322 (3-(3-Methyl-1-phenethyl-piperidin-3-yl)-phenol | 3...) Show SMILES CC1(CCCN(CCc2ccccc2)C1)c1cccc(O)c1 Show InChI InChI=1S/C20H25NO/c1-20(18-9-5-10-19(22)15-18)12-6-13-21(16-20)14-11-17-7-3-2-4-8-17/h2-5,7-10,15,22H,6,11-14,16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]naloxone receptor binding to opioid receptor in the absence of NaCl				J Med Chem 29: 531-7 (1986) BindingDB Entry DOI: 10.7270/Q2WH2QKX
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50021322 (3-(3-Methyl-1-phenethyl-piperidin-3-yl)-phenol | 3...) Show SMILES CC1(CCCN(CCc2ccccc2)C1)c1cccc(O)c1 Show InChI InChI=1S/C20H25NO/c1-20(18-9-5-10-19(22)15-18)12-6-13-21(16-20)14-11-17-7-3-2-4-8-17/h2-5,7-10,15,22H,6,11-14,16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	2.17E+3	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Opioid receptor affinity against the Opioid receptor delta 1 by using the curve-fitting program LIGAND				J Med Chem 29: 531-7 (1986) BindingDB Entry DOI: 10.7270/Q2WH2QKX
					More data for this Ligand-Target Pair
Opioid receptor (Rattus norvegicus (rat)-RAT)	BDBM50021322 (3-(3-Methyl-1-phenethyl-piperidin-3-yl)-phenol | 3...) Show SMILES CC1(CCCN(CCc2ccccc2)C1)c1cccc(O)c1 Show InChI InChI=1S/C20H25NO/c1-20(18-9-5-10-19(22)15-18)12-6-13-21(16-20)14-11-17-7-3-2-4-8-17/h2-5,7-10,15,22H,6,11-14,16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	2.63E+4	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Opioid receptor affinity against the receptor site model site 5 by using the curve-fitting program LIGAND				J Med Chem 29: 531-7 (1986) BindingDB Entry DOI: 10.7270/Q2WH2QKX
					More data for this Ligand-Target Pair
Opioid receptor (Rattus norvegicus (rat)-RAT)	BDBM50021322 (3-(3-Methyl-1-phenethyl-piperidin-3-yl)-phenol | 3...) Show SMILES CC1(CCCN(CCc2ccccc2)C1)c1cccc(O)c1 Show InChI InChI=1S/C20H25NO/c1-20(18-9-5-10-19(22)15-18)12-6-13-21(16-20)14-11-17-7-3-2-4-8-17/h2-5,7-10,15,22H,6,11-14,16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	1.39E+3	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Opioid receptor affinity against the receptor site model site 5 by using the curve-fitting program LIGAND				J Med Chem 29: 531-7 (1986) BindingDB Entry DOI: 10.7270/Q2WH2QKX
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50021322 (3-(3-Methyl-1-phenethyl-piperidin-3-yl)-phenol | 3...) Show SMILES CC1(CCCN(CCc2ccccc2)C1)c1cccc(O)c1 Show InChI InChI=1S/C20H25NO/c1-20(18-9-5-10-19(22)15-18)12-6-13-21(16-20)14-11-17-7-3-2-4-8-17/h2-5,7-10,15,22H,6,11-14,16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	625	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Opioid receptor affinity against Opioid receptor kappa 1 by using the curve-fitting program LIGAND				J Med Chem 29: 531-7 (1986) BindingDB Entry DOI: 10.7270/Q2WH2QKX
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50021322 (3-(3-Methyl-1-phenethyl-piperidin-3-yl)-phenol | 3...) Show SMILES CC1(CCCN(CCc2ccccc2)C1)c1cccc(O)c1 Show InChI InChI=1S/C20H25NO/c1-20(18-9-5-10-19(22)15-18)12-6-13-21(16-20)14-11-17-7-3-2-4-8-17/h2-5,7-10,15,22H,6,11-14,16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Opioid receptor mu 1 affinity against the receptor site model site 1 (mu1) by using the curve-fitting program LIGAND				J Med Chem 29: 531-7 (1986) BindingDB Entry DOI: 10.7270/Q2WH2QKX
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50021322 (3-(3-Methyl-1-phenethyl-piperidin-3-yl)-phenol | 3...) Show SMILES CC1(CCCN(CCc2ccccc2)C1)c1cccc(O)c1 Show InChI InChI=1S/C20H25NO/c1-20(18-9-5-10-19(22)15-18)12-6-13-21(16-20)14-11-17-7-3-2-4-8-17/h2-5,7-10,15,22H,6,11-14,16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Opioid receptor mu 1 affinity against the receptor site model site 1 (mu1) by using the curve-fitting program LIGAND				J Med Chem 29: 531-7 (1986) BindingDB Entry DOI: 10.7270/Q2WH2QKX
					More data for this Ligand-Target Pair
Opioid receptor (Rattus norvegicus (rat)-RAT)	BDBM50021322 (3-(3-Methyl-1-phenethyl-piperidin-3-yl)-phenol | 3...) Show SMILES CC1(CCCN(CCc2ccccc2)C1)c1cccc(O)c1 Show InChI InChI=1S/C20H25NO/c1-20(18-9-5-10-19(22)15-18)12-6-13-21(16-20)14-11-17-7-3-2-4-8-17/h2-5,7-10,15,22H,6,11-14,16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]naloxone receptor binding to opioid receptor in the presence of 100 mM NaCl				J Med Chem 29: 531-7 (1986) BindingDB Entry DOI: 10.7270/Q2WH2QKX
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50021322 (3-(3-Methyl-1-phenethyl-piperidin-3-yl)-phenol | 3...) Show SMILES CC1(CCCN(CCc2ccccc2)C1)c1cccc(O)c1 Show InChI InChI=1S/C20H25NO/c1-20(18-9-5-10-19(22)15-18)12-6-13-21(16-20)14-11-17-7-3-2-4-8-17/h2-5,7-10,15,22H,6,11-14,16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	588	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Opioid receptor affinity against the Opioid receptor delta 1 by using the curve-fitting program LIGAND				J Med Chem 29: 531-7 (1986) BindingDB Entry DOI: 10.7270/Q2WH2QKX
					More data for this Ligand-Target Pair