BDBM50087485 2-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-ethyl]-4H-9-thia-2,4,6-triaza-fluorene-1,3-dione::A-131701::CHEMBL287965

SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6cnccc6sc5c4=O)C[C@@H]3CCc12

InChI Key InChIKey=ABSHIKAJJIGDIR-KBXCAEBGSA-N

Data  3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50087485   

TargetAlpha-1D adrenergic receptor(Rattus norvegicus (Rat))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50087485(2-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]is...)
Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6cnccc6sc5c4=O)C[C@@H]3CCc12
Show InChI InChI=1S/C24H24N4O3S/c1-31-19-4-2-3-15-16(19)6-5-14-12-27(13-18(14)15)9-10-28-23(29)22-21(26-24(28)30)17-11-25-8-7-20(17)32-22/h2-4,7-8,11,14,18H,5-6,9-10,12-13H2,1H3,(H,26,30)/t14-,18+/m0/s1
Affinity DataKi:  0.280nMAssay Description:In vitro binding affinity using [3H]-prazosin as radioligand against alpha-1D adrenergic receptor expressed in LTK cellMore data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Rattus norvegicus (Rat))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50087485(2-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]is...)
Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6cnccc6sc5c4=O)C[C@@H]3CCc12
Show InChI InChI=1S/C24H24N4O3S/c1-31-19-4-2-3-15-16(19)6-5-14-12-27(13-18(14)15)9-10-28-23(29)22-21(26-24(28)30)17-11-25-8-7-20(17)32-22/h2-4,7-8,11,14,18H,5-6,9-10,12-13H2,1H3,(H,26,30)/t14-,18+/m0/s1
Affinity DataKi:  0.330nMAssay Description:In vitro binding affinity using [3H]-prazosin as radioligand against alpha-1A adrenergic receptorMore data for this Ligand-Target Pair
TargetAlpha-1B adrenergic receptor(C.H.O.)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50087485(2-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]is...)
Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6cnccc6sc5c4=O)C[C@@H]3CCc12
Show InChI InChI=1S/C24H24N4O3S/c1-31-19-4-2-3-15-16(19)6-5-14-12-27(13-18(14)15)9-10-28-23(29)22-21(26-24(28)30)17-11-25-8-7-20(17)32-22/h2-4,7-8,11,14,18H,5-6,9-10,12-13H2,1H3,(H,26,30)/t14-,18+/m0/s1
Affinity DataKi:  4.63nMAssay Description:In vitro binding affinity using [3H]-prazosin as radioligand against alpha-1B adrenergic receptor expressed in LTK cellMore data for this Ligand-Target Pair