BDBM50419038 CHEMBL1813320

SMILES CN(CCNC(C)=O)c1cccc(OCCCCCOc2cccc(c2)N(C)CCNC(C)=O)c1

InChI Key InChIKey=BEXBBEIMOAMOKQ-UHFFFAOYSA-N

Data  2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50419038   

TargetMelatonin receptor type 1A(Homo sapiens (Human))
Universit£ degli Studi di Urbino Carlo Bo

Curated by ChEMBL
LigandPNGBDBM50419038(CHEMBL1813320)
Show SMILES CN(CCNC(C)=O)c1cccc(OCCCCCOc2cccc(c2)N(C)CCNC(C)=O)c1
Show InChI InChI=1S/C27H40N4O4/c1-22(32)28-14-16-30(3)24-10-8-12-26(20-24)34-18-6-5-7-19-35-27-13-9-11-25(21-27)31(4)17-15-29-23(2)33/h8-13,20-21H,5-7,14-19H2,1-4H3,(H,28,32)(H,29,33)
Affinity DataKi:  57.5nMAssay Description:Displacement of 2-[125I]iodomelatonin from human cloned MT1 receptor expressed in mouse NIH-3T3 cell membraneMore data for this Ligand-Target Pair
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Universit£ degli Studi di Urbino Carlo Bo

Curated by ChEMBL
LigandPNGBDBM50419038(CHEMBL1813320)
Show SMILES CN(CCNC(C)=O)c1cccc(OCCCCCOc2cccc(c2)N(C)CCNC(C)=O)c1
Show InChI InChI=1S/C27H40N4O4/c1-22(32)28-14-16-30(3)24-10-8-12-26(20-24)34-18-6-5-7-19-35-27-13-9-11-25(21-27)31(4)17-15-29-23(2)33/h8-13,20-21H,5-7,14-19H2,1-4H3,(H,28,32)(H,29,33)
Affinity DataKi:  813nMAssay Description:Displacement of 2-[125I]iodomelatonin from human cloned MT2 receptor expressed in mouse NIH-3T3 cell membraneMore data for this Ligand-Target Pair