BDBM50045742 3-[3,4-Dimethyl-1-(3-thiophen-3-yl-propyl)-piperidin-4-yl]-phenol::CHEMBL317097

SMILES: C[C@H]1CN(CCCc2ccsc2)CC[C@@]1(C)c1cccc(O)c1

InChI Key: InChIKey=DTCRXMSIIFTNHL-OXJNMPFZSA-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 = 50045742   

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))	BDBM50045742 (3-[3,4-Dimethyl-1-(3-thiophen-3-yl-propyl)-piperid...) Show SMILES C[C@H]1CN(CCCc2ccsc2)CC[C@@]1(C)c1cccc(O)c1 Show InChI InChI=1S/C20H27NOS/c1-16-14-21(10-4-5-17-8-12-23-15-17)11-9-20(16,2)18-6-3-7-19(22)13-18/h3,6-8,12-13,15-16,22H,4-5,9-11,14H2,1-2H3/t16-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.260	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
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50045742 (3-[3,4-Dimethyl-1-(3-thiophen-3-yl-propyl)-piperid...) Show SMILES C[C@H]1CN(CCCc2ccsc2)CC[C@@]1(C)c1cccc(O)c1 Show InChI InChI=1S/C20H27NOS/c1-16-14-21(10-4-5-17-8-12-23-15-17)11-9-20(16,2)18-6-3-7-19(22)13-18/h3,6-8,12-13,15-16,22H,4-5,9-11,14H2,1-2H3/t16-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.260	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))	BDBM50045742 (3-[3,4-Dimethyl-1-(3-thiophen-3-yl-propyl)-piperid...) Show SMILES C[C@H]1CN(CCCc2ccsc2)CC[C@@]1(C)c1cccc(O)c1 Show InChI InChI=1S/C20H27NOS/c1-16-14-21(10-4-5-17-8-12-23-15-17)11-9-20(16,2)18-6-3-7-19(22)13-18/h3,6-8,12-13,15-16,22H,4-5,9-11,14H2,1-2H3/t16-,20+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	10	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))	BDBM50045742 (3-[3,4-Dimethyl-1-(3-thiophen-3-yl-propyl)-piperid...) Show SMILES C[C@H]1CN(CCCc2ccsc2)CC[C@@]1(C)c1cccc(O)c1 Show InChI InChI=1S/C20H27NOS/c1-16-14-21(10-4-5-17-8-12-23-15-17)11-9-20(16,2)18-6-3-7-19(22)13-18/h3,6-8,12-13,15-16,22H,4-5,9-11,14H2,1-2H3/t16-,20+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	10	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