BDBM50240354 CHEMBL274844::N-{1-[2-(4-Isothiocyanato-phenyl)-ethyl]-piperidin-4-yl}-N-phenyl-propionamide

SMILES: CCC(=O)N(C1CCN(CCc2ccc(cc2)N=C=S)CC1)c1ccccc1

InChI Key: InChIKey=VDKBIFPJULZUPU-UHFFFAOYSA-N

Data: 3 EC50

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 3 hits for monomerid = 50240354   

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
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50240354 (CHEMBL274844 | N-{1-[2-(4-Isothiocyanato-phenyl)-e...) Show SMILES CCC(=O)N(C1CCN(CCc2ccc(cc2)N=C=S)CC1)c1ccccc1 Show InChI InChI=1S/C23H27N3OS/c1-2-23(27)26(21-6-4-3-5-7-21)22-13-16-25(17-14-22)15-12-19-8-10-20(11-9-19)24-18-28/h3-11,22H,2,12-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The binding affinity was evaluated against [3H]dalamid binding to rat brain membranes (Opioid receptor delta 1)				J Med Chem 27: 1570-4 (1985) BindingDB Entry DOI: 10.7270/Q2S18328
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50240354 (CHEMBL274844 | N-{1-[2-(4-Isothiocyanato-phenyl)-e...) Show SMILES CCC(=O)N(C1CCN(CCc2ccc(cc2)N=C=S)CC1)c1ccccc1 Show InChI InChI=1S/C23H27N3OS/c1-2-23(27)26(21-6-4-3-5-7-21)22-13-16-25(17-14-22)15-12-19-8-10-20(11-9-19)24-18-28/h3-11,22H,2,12-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The binding affinity was evaluated against [3H]dalamid binding to rat brain membranes (mu opiate receptors).				J Med Chem 27: 1570-4 (1985) BindingDB Entry DOI: 10.7270/Q2S18328
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50240354 (CHEMBL274844 | N-{1-[2-(4-Isothiocyanato-phenyl)-e...) Show SMILES CCC(=O)N(C1CCN(CCc2ccc(cc2)N=C=S)CC1)c1ccccc1 Show InChI InChI=1S/C23H27N3OS/c1-2-23(27)26(21-6-4-3-5-7-21)22-13-16-25(17-14-22)15-12-19-8-10-20(11-9-19)24-18-28/h3-11,22H,2,12-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	8	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The binding affinity was evaluated against [3H]dalamid binding to neuroblastoma X glioma hybrid cell NG108-15 (Opioid receptor delta 1)membranes				J Med Chem 27: 1570-4 (1985) BindingDB Entry DOI: 10.7270/Q2S18328
					More data for this Ligand-Target Pair