BDBM50039968 2-(3-Isothiocyanato-phenyl)-N-methyl-N-((S)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-acetamide::CHEMBL97246

SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1cccc(c1)N=C=S

InChI Key InChIKey=AQNKJLVANZELEX-OAQYLSRUSA-N

Data  3 IC50

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50039968   

TargetDelta-type opioid receptor(Homo sapiens (Human))
University of Washington

Curated by ChEMBL
LigandPNGBDBM50039968(2-(3-Isothiocyanato-phenyl)-N-methyl-N-((S)-1-phen...)
Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1cccc(c1)N=C=S
Show InChI InChI=1S/C22H25N3OS/c1-24(22(26)15-18-8-7-11-20(14-18)23-17-27)21(16-25-12-5-6-13-25)19-9-3-2-4-10-19/h2-4,7-11,14,21H,5-6,12-13,15-16H2,1H3/t21-/m1/s1
Affinity DataIC50: 144nMAssay Description:Tested for inhibitory concentration against [3H]DPDPE binding at sites of delta-opioid receptor in guinea pig brain membraneMore data for this Ligand-Target Pair
TargetMu-type opioid receptor(GUINEA PIG)
University of Washington

Curated by ChEMBL
LigandPNGBDBM50039968(2-(3-Isothiocyanato-phenyl)-N-methyl-N-((S)-1-phen...)
Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1cccc(c1)N=C=S
Show InChI InChI=1S/C22H25N3OS/c1-24(22(26)15-18-8-7-11-20(14-18)23-17-27)21(16-25-12-5-6-13-25)19-9-3-2-4-10-19/h2-4,7-11,14,21H,5-6,12-13,15-16H2,1H3/t21-/m1/s1
Affinity DataIC50: 5.10E+3nMAssay Description:Tested for inhibitory concentration against [3H]DAMGO binding at sites of mu-opioid receptor in guinea pig brain membraneMore data for this Ligand-Target Pair
TargetKappa-type opioid receptor(Cavia porcellus (domestic guinea pig))
University of Washington

Curated by ChEMBL
LigandPNGBDBM50039968(2-(3-Isothiocyanato-phenyl)-N-methyl-N-((S)-1-phen...)
Show SMILES CN([C@H](CN1CCCC1)c1ccccc1)C(=O)Cc1cccc(c1)N=C=S
Show InChI InChI=1S/C22H25N3OS/c1-24(22(26)15-18-8-7-11-20(14-18)23-17-27)21(16-25-12-5-6-13-25)19-9-3-2-4-10-19/h2-4,7-11,14,21H,5-6,12-13,15-16H2,1H3/t21-/m1/s1
Affinity DataIC50: 3.30nMAssay Description:Tested for inhibitory concentration against [3H]U-69593 binding at sites of kappa-opioid receptor in guinea pig brain membraneMore data for this Ligand-Target Pair