BDBM50136409 1-[(R)-1-(2,3-Dihydro-benzofuran-4-yl)-pyrrolidin-3-yl]-3-ethyl-urea::CHEMBL136564

SMILES CCNC(=O)N[C@@H]1CCN(C1)c1cccc2OCCc12

InChI Key InChIKey=CDGKTTRAJGRLKP-LLVKDONJSA-N

Data  2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50136409   

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

Curated by ChEMBL
LigandPNGBDBM50136409(1-[(R)-1-(2,3-Dihydro-benzofuran-4-yl)-pyrrolidin-...)
Show SMILES CCNC(=O)N[C@@H]1CCN(C1)c1cccc2OCCc12
Show InChI InChI=1S/C15H21N3O2/c1-2-16-15(19)17-11-6-8-18(10-11)13-4-3-5-14-12(13)7-9-20-14/h3-5,11H,2,6-10H2,1H3,(H2,16,17,19)/t11-/m1/s1
Affinity DataKi:  0.420nMAssay 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
LigandPNGBDBM50136409(1-[(R)-1-(2,3-Dihydro-benzofuran-4-yl)-pyrrolidin-...)
Show SMILES CCNC(=O)N[C@@H]1CCN(C1)c1cccc2OCCc12
Show InChI InChI=1S/C15H21N3O2/c1-2-16-15(19)17-11-6-8-18(10-11)13-4-3-5-14-12(13)7-9-20-14/h3-5,11H,2,6-10H2,1H3,(H2,16,17,19)/t11-/m1/s1
Affinity DataKi:  0.650nMAssay Description:Binding affinity against human MT1 melatonin receptor expressed in NIH3T3 cells.More data for this Ligand-Target Pair