BDBM50136407 CHEMBL139497::N-[(S)-1-(3-Methoxy-phenyl)-pyrrolidin-3-yl]-butyramide

SMILES CCCC(=O)N[C@H]1CCN(C1)c1cccc(OC)c1

InChI Key InChIKey=BDYQJTXTXBSBMC-LBPRGKRZSA-N

Data  2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50136407   

TargetMelatonin receptor type 1B(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50136407(CHEMBL139497 | N-[(S)-1-(3-Methoxy-phenyl)-pyrroli...)
Show SMILES CCCC(=O)N[C@H]1CCN(C1)c1cccc(OC)c1
Show InChI InChI=1S/C15H22N2O2/c1-3-5-15(18)16-12-8-9-17(11-12)13-6-4-7-14(10-13)19-2/h4,6-7,10,12H,3,5,8-9,11H2,1-2H3,(H,16,18)/t12-/m0/s1
Affinity DataKi:  2.60nMAssay Description:Binding affinity against human MT2 melatonin receptor expressed in NIH3T3 cellsMore data for this Ligand-Target Pair
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50136407(CHEMBL139497 | N-[(S)-1-(3-Methoxy-phenyl)-pyrroli...)
Show SMILES CCCC(=O)N[C@H]1CCN(C1)c1cccc(OC)c1
Show InChI InChI=1S/C15H22N2O2/c1-3-5-15(18)16-12-8-9-17(11-12)13-6-4-7-14(10-13)19-2/h4,6-7,10,12H,3,5,8-9,11H2,1-2H3,(H,16,18)/t12-/m0/s1
Affinity DataKi:  3.70nMAssay Description:Binding affinity against human MT1 melatonin receptor expressed in NIH3T3 cells.More data for this Ligand-Target Pair