BDBM50139517 CHEMBL352181::N-{4-[3-(2-Pyrrolidin-1-yl-ethyl)-1H-indol-5-yl]-3,6-dihydro-2H-pyridin-1-yl}-thiobenzamide

SMILES S=C(NN1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1)c1ccccc1

InChI Key InChIKey=ACAQTMICMMVXHA-UHFFFAOYSA-N

Data  2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50139517   

Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
NPS Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50139517(CHEMBL352181 | N-{4-[3-(2-Pyrrolidin-1-yl-ethyl)-1...)
Show SMILES S=C(NN1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1)c1ccccc1
Show InChI InChI=1S/C26H30N4S/c31-26(21-6-2-1-3-7-21)28-30-16-11-20(12-17-30)22-8-9-25-24(18-22)23(19-27-25)10-15-29-13-4-5-14-29/h1-3,6-9,11,18-19,27H,4-5,10,12-17H2,(H,28,31)
Affinity DataKi:  9.5nMAssay Description:Binding affinity of the compound was evaluated at the cloned human 5-hydroxytryptamine 1D receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1B(Homo sapiens (Human))
NPS Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50139517(CHEMBL352181 | N-{4-[3-(2-Pyrrolidin-1-yl-ethyl)-1...)
Show SMILES S=C(NN1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1)c1ccccc1
Show InChI InChI=1S/C26H30N4S/c31-26(21-6-2-1-3-7-21)28-30-16-11-20(12-17-30)22-8-9-25-24(18-22)23(19-27-25)10-15-29-13-4-5-14-29/h1-3,6-9,11,18-19,27H,4-5,10,12-17H2,(H,28,31)
Affinity DataKi:  68nMAssay Description:Binding affinity of the compound was evaluated at the cloned human 5-hydroxytryptamine 1B receptorMore data for this Ligand-Target Pair