BDBM50045744 3-(3,4-Dimethyl-1-pentyl-piperidin-4-yl)-phenol::CHEMBL97360

SMILES: CCCCCN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1

InChI Key: InChIKey=KIGPUNOQAQQLGN-MAUKXSAKSA-N

Data: 4 KI

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 = 50045744   

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))	BDBM50045744 (3-(3,4-Dimethyl-1-pentyl-piperidin-4-yl)-phenol | ...) Show SMILES CCCCCN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1 Show InChI InChI=1S/C18H29NO/c1-4-5-6-11-19-12-10-18(3,15(2)14-19)16-8-7-9-17(20)13-16/h7-9,13,15,20H,4-6,10-12,14H2,1-3H3/t15-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.30	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
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50045744 (3-(3,4-Dimethyl-1-pentyl-piperidin-4-yl)-phenol | ...) Show SMILES CCCCCN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1 Show InChI InChI=1S/C18H29NO/c1-4-5-6-11-19-12-10-18(3,15(2)14-19)16-8-7-9-17(20)13-16/h7-9,13,15,20H,4-6,10-12,14H2,1-3H3/t15-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.30	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
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50045744 (3-(3,4-Dimethyl-1-pentyl-piperidin-4-yl)-phenol | ...) Show SMILES CCCCCN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1 Show InChI InChI=1S/C18H29NO/c1-4-5-6-11-19-12-10-18(3,15(2)14-19)16-8-7-9-17(20)13-16/h7-9,13,15,20H,4-6,10-12,14H2,1-3H3/t15-,18+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	44	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 10 nM from guinea pig cortical tissue				J Med Chem 36: 2833-41 (1993) BindingDB Entry DOI: 10.7270/Q2W0951M
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50045744 (3-(3,4-Dimethyl-1-pentyl-piperidin-4-yl)-phenol | ...) Show SMILES CCCCCN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1 Show InChI InChI=1S/C18H29NO/c1-4-5-6-11-19-12-10-18(3,15(2)14-19)16-8-7-9-17(20)13-16/h7-9,13,15,20H,4-6,10-12,14H2,1-3H3/t15-,18+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	78	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 at 10 nM from rat brain homogenates				J Med Chem 36: 2833-41 (1993) BindingDB Entry DOI: 10.7270/Q2W0951M
					More data for this Ligand-Target Pair