BDBM50149171 CHEMBL331636::N-[3-(2-Propyl-benzooxazol-7-yl)-propyl]-isobutyramide

SMILES CCCc1nc2cccc(CCCNC(=O)C(C)C)c2o1

InChI Key InChIKey=BEQGDFNQWJVWGJ-UHFFFAOYSA-N

Data  2 KI

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50149171   

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

Curated by ChEMBL
LigandPNGBDBM50149171(CHEMBL331636 | N-[3-(2-Propyl-benzooxazol-7-yl)-pr...)
Show SMILES CCCc1nc2cccc(CCCNC(=O)C(C)C)c2o1
Show InChI InChI=1S/C17H24N2O2/c1-4-7-15-19-14-10-5-8-13(16(14)21-15)9-6-11-18-17(20)12(2)3/h5,8,10,12H,4,6-7,9,11H2,1-3H3,(H,18,20)
Affinity DataKi:  29nMAssay Description:Binding affinity against human Melatonin receptor type 1B by using 2-[125I]-iodomelatonin as radioligandMore data for this Ligand-Target Pair
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50149171(CHEMBL331636 | N-[3-(2-Propyl-benzooxazol-7-yl)-pr...)
Show SMILES CCCc1nc2cccc(CCCNC(=O)C(C)C)c2o1
Show InChI InChI=1S/C17H24N2O2/c1-4-7-15-19-14-10-5-8-13(16(14)21-15)9-6-11-18-17(20)12(2)3/h5,8,10,12H,4,6-7,9,11H2,1-3H3,(H,18,20)
Affinity DataKi:  60nMAssay Description:Binding affinity against human Melatonin receptor type 1A by using 2-[125I]-iodomelatonin as radioligandMore data for this Ligand-Target Pair