BDBM50416696 CHEMBL1223281

SMILES COc1cccc(SC[C@H](C)NC(C)=O)c1

InChI Key InChIKey=BTZZPTZDAHOEMB-VIFPVBQESA-N

Data  4 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50416696   

TargetMelatonin receptor type 1B(Homo sapiens (Human))
Universit£ degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50416696(CHEMBL1223281)
Show SMILES COc1cccc(SC[C@H](C)NC(C)=O)c1
Show InChI InChI=1S/C12H17NO2S/c1-9(13-10(2)14)8-16-12-6-4-5-11(7-12)15-3/h4-7,9H,8H2,1-3H3,(H,13,14)/t9-/m0/s1
Affinity DataKi:  263nMAssay Description:Displacement of [125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells after 90 minsMore data for this Ligand-Target Pair
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Universit£ degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50416696(CHEMBL1223281)
Show SMILES COc1cccc(SC[C@H](C)NC(C)=O)c1
Show InChI InChI=1S/C12H17NO2S/c1-9(13-10(2)14)8-16-12-6-4-5-11(7-12)15-3/h4-7,9H,8H2,1-3H3,(H,13,14)/t9-/m0/s1
Affinity DataKi:  479nMAssay Description:Displacement of [125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells after 90 minsMore data for this Ligand-Target Pair
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Universit£ degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50416696(CHEMBL1223281)
Show SMILES COc1cccc(SC[C@H](C)NC(C)=O)c1
Show InChI InChI=1S/C12H17NO2S/c1-9(13-10(2)14)8-16-12-6-4-5-11(7-12)15-3/h4-7,9H,8H2,1-3H3,(H,13,14)/t9-/m0/s1
Affinity DataKi:  1.32E+3nMAssay Description:Displacement of [125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells after 90 minsMore data for this Ligand-Target Pair
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Universit£ degli Studi di Bari

Curated by ChEMBL
LigandPNGBDBM50416696(CHEMBL1223281)
Show SMILES COc1cccc(SC[C@H](C)NC(C)=O)c1
Show InChI InChI=1S/C12H17NO2S/c1-9(13-10(2)14)8-16-12-6-4-5-11(7-12)15-3/h4-7,9H,8H2,1-3H3,(H,13,14)/t9-/m0/s1
Affinity DataKi:  1.20E+4nMAssay Description:Displacement of [125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells after 90 minsMore data for this Ligand-Target Pair