BDBM50045743 3-[3,4-Dimethyl-1-(3-thiophen-2-yl-propyl)-piperidin-4-yl]-phenol::3-[3,4-Dimethyl-1-(3-thiophen-2-yl-propyl)-piperidin-4-yl]-phenol (-)-(3s), (4s)-41::CHEMBL316760

SMILES: C[C@@H]1CN(CCCc2cccs2)CC[C@]1(C)c1cccc(O)c1

InChI Key: InChIKey=QKKOFEVVROUWFB-UZLBHIALSA-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 = 50045743   

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))	BDBM50045743 (3-[3,4-Dimethyl-1-(3-thiophen-2-yl-propyl)-piperid...) Show SMILES C[C@@H]1CN(CCCc2cccs2)CC[C@]1(C)c1cccc(O)c1 Show InChI InChI=1S/C20H27NOS/c1-16-15-21(11-4-8-19-9-5-13-23-19)12-10-20(16,2)17-6-3-7-18(22)14-17/h3,5-7,9,13-14,16,22H,4,8,10-12,15H2,1-2H3/t16-,20+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.80	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
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50045743 (3-[3,4-Dimethyl-1-(3-thiophen-2-yl-propyl)-piperid...) Show SMILES C[C@@H]1CN(CCCc2cccs2)CC[C@]1(C)c1cccc(O)c1 Show InChI InChI=1S/C20H27NOS/c1-16-15-21(11-4-8-19-9-5-13-23-19)12-10-20(16,2)17-6-3-7-18(22)14-17/h3,5-7,9,13-14,16,22H,4,8,10-12,15H2,1-2H3/t16-,20+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.80	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
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50045743 (3-[3,4-Dimethyl-1-(3-thiophen-2-yl-propyl)-piperid...) Show SMILES C[C@@H]1CN(CCCc2cccs2)CC[C@]1(C)c1cccc(O)c1 Show InChI InChI=1S/C20H27NOS/c1-16-15-21(11-4-8-19-9-5-13-23-19)12-10-20(16,2)17-6-3-7-18(22)14-17/h3,5-7,9,13-14,16,22H,4,8,10-12,15H2,1-2H3/t16-,20+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13	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
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50045743 (3-[3,4-Dimethyl-1-(3-thiophen-2-yl-propyl)-piperid...) Show SMILES C[C@@H]1CN(CCCc2cccs2)CC[C@]1(C)c1cccc(O)c1 Show InChI InChI=1S/C20H27NOS/c1-16-15-21(11-4-8-19-9-5-13-23-19)12-10-20(16,2)17-6-3-7-18(22)14-17/h3,5-7,9,13-14,16,22H,4,8,10-12,15H2,1-2H3/t16-,20+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13	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
					More data for this Ligand-Target Pair