BDBM50028672 (5-Chloro-7-methyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-fg]quinolin-9-yl)-acetonitrile::CHEMBL284614::LERGOTRILE

SMILES CN1CC(CC#N)CC2C1Cc1c(Cl)[nH]c3cccc2c13

InChI Key InChIKey=JKAHWGPTNVUTNB-UHFFFAOYSA-N

Data  2 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50028672   

Target5-hydroxytryptamine receptor 6(RAT)
University of Alberta

Curated by PDSP Ki Database
LigandPNGBDBM50028672((5-Chloro-7-methyl-4,6,6a,7,8,9,10,10a-octahydro-i...)
Show SMILES CN1CC(CC#N)CC2C1Cc1c(Cl)[nH]c3cccc2c13
Show InChI InChI=1S/C17H18ClN3/c1-21-9-10(5-6-19)7-12-11-3-2-4-14-16(11)13(8-15(12)21)17(18)20-14/h2-4,10,12,15,20H,5,7-9H2,1H3
Affinity DataKi:  36.3nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 6(RAT)
University of Alberta

Curated by PDSP Ki Database
LigandPNGBDBM50028672((5-Chloro-7-methyl-4,6,6a,7,8,9,10,10a-octahydro-i...)
Show SMILES CN1CC(CC#N)CC2C1Cc1c(Cl)[nH]c3cccc2c13
Show InChI InChI=1S/C17H18ClN3/c1-21-9-10(5-6-19)7-12-11-3-2-4-14-16(11)13(8-15(12)21)17(18)20-14/h2-4,10,12,15,20H,5,7-9H2,1H3
Affinity DataKi:  36.5nMMore data for this Ligand-Target Pair