BDBM50177690 3-(trans-4,5-dimethyl-1-pentyl-2-alpha-propylpiperidin-4-yl)phenol::CHEMBL202200

SMILES: CCCCCN1C[C@H](C)[C@@](C)(C[C@H]1CCC)c1cccc(O)c1

InChI Key: InChIKey=COMBRMJRXRQTHS-FBBABVLZSA-N

Data: 3 KI  1 IC50

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 4 hits for monomerid = 50177690   

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 (Homo sapiens (Human))	BDBM50177690 (3-(trans-4,5-dimethyl-1-pentyl-2-alpha-propylpiper...) Show SMILES CCCCCN1C[C@H](C)[C@@](C)(C[C@H]1CCC)c1cccc(O)c1 Show InChI InChI=1S/C21H35NO/c1-5-7-8-13-22-16-17(3)21(4,15-19(22)10-6-2)18-11-9-12-20(23)14-18/h9,11-12,14,17,19,23H,5-8,10,13,15-16H2,1-4H3/t17-,19+,21+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Inhibition of loperamide-stimulated [35S]GTP-gamma-S binding to membranes containing mu opioid receptor				Bioorg Med Chem Lett 16: 864-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.010 BindingDB Entry DOI: 10.7270/Q2RJ4J1J
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50177690 (3-(trans-4,5-dimethyl-1-pentyl-2-alpha-propylpiper...) Show SMILES CCCCCN1C[C@H](C)[C@@](C)(C[C@H]1CCC)c1cccc(O)c1 Show InChI InChI=1S/C21H35NO/c1-5-7-8-13-22-16-17(3)21(4,15-19(22)10-6-2)18-11-9-12-20(23)14-18/h9,11-12,14,17,19,23H,5-8,10,13,15-16H2,1-4H3/t17-,19+,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human cloned kappa opioid receptor				Bioorg Med Chem Lett 16: 864-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.010 BindingDB Entry DOI: 10.7270/Q2RJ4J1J
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50177690 (3-(trans-4,5-dimethyl-1-pentyl-2-alpha-propylpiper...) Show SMILES CCCCCN1C[C@H](C)[C@@](C)(C[C@H]1CCC)c1cccc(O)c1 Show InChI InChI=1S/C21H35NO/c1-5-7-8-13-22-16-17(3)21(4,15-19(22)10-6-2)18-11-9-12-20(23)14-18/h9,11-12,14,17,19,23H,5-8,10,13,15-16H2,1-4H3/t17-,19+,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human cloned delta opioid receptor				Bioorg Med Chem Lett 16: 864-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.010 BindingDB Entry DOI: 10.7270/Q2RJ4J1J
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50177690 (3-(trans-4,5-dimethyl-1-pentyl-2-alpha-propylpiper...) Show SMILES CCCCCN1C[C@H](C)[C@@](C)(C[C@H]1CCC)c1cccc(O)c1 Show InChI InChI=1S/C21H35NO/c1-5-7-8-13-22-16-17(3)21(4,15-19(22)10-6-2)18-11-9-12-20(23)14-18/h9,11-12,14,17,19,23H,5-8,10,13,15-16H2,1-4H3/t17-,19+,21+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Inhibition of loperamide-stimulated [35S]GTPgammaS binding to membranes containing mu opioid receptor				Bioorg Med Chem Lett 16: 864-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.010 BindingDB Entry DOI: 10.7270/Q2RJ4J1J
					More data for this Ligand-Target Pair