BDBM50064784 (S)-1-{2-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-isochroman-6-carboxylic acid amide::CHEMBL71635

SMILES COc1ccc(cc1)N1CCN(CC[C@@H]2OCCc3cc(ccc23)C(N)=O)CC1

InChI Key InChIKey=OCFFXDBBLHVFSW-QFIPXVFZSA-N

Data  5 KI

Find this compound or compounds like it in BindingDB:
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50064784   

Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
Pharmacia & Upjohn

Curated by ChEMBL
LigandPNGBDBM50064784((S)-1-{2-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-eth...)
Show SMILES COc1ccc(cc1)N1CCN(CC[C@@H]2OCCc3cc(ccc23)C(N)=O)CC1
Show InChI InChI=1S/C23H29N3O3/c1-28-20-5-3-19(4-6-20)26-13-11-25(12-14-26)10-8-22-21-7-2-18(23(24)27)16-17(21)9-15-29-22/h2-7,16,22H,8-15H2,1H3,(H2,24,27)/t22-/m0/s1
Affinity DataKi:  3.80nMAssay Description:The compound was tested for CNS binding affinity towards 5-hydroxytryptamine 1D receptor from cloned gorilla membranes expressed in cultured HEK 293 ...More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
Pharmacia & Upjohn

Curated by ChEMBL
LigandPNGBDBM50064784((S)-1-{2-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-eth...)
Show SMILES COc1ccc(cc1)N1CCN(CC[C@@H]2OCCc3cc(ccc23)C(N)=O)CC1
Show InChI InChI=1S/C23H29N3O3/c1-28-20-5-3-19(4-6-20)26-13-11-25(12-14-26)10-8-22-21-7-2-18(23(24)27)16-17(21)9-15-29-22/h2-7,16,22H,8-15H2,1H3,(H2,24,27)/t22-/m0/s1
Affinity DataKi:  248nMAssay Description:The compound was tested for CNS binding affinity towards 5-hydroxytryptamine 2A receptor from cloned Human membranesMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Pharmacia & Upjohn

Curated by ChEMBL
LigandPNGBDBM50064784((S)-1-{2-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-eth...)
Show SMILES COc1ccc(cc1)N1CCN(CC[C@@H]2OCCc3cc(ccc23)C(N)=O)CC1
Show InChI InChI=1S/C23H29N3O3/c1-28-20-5-3-19(4-6-20)26-13-11-25(12-14-26)10-8-22-21-7-2-18(23(24)27)16-17(21)9-15-29-22/h2-7,16,22H,8-15H2,1H3,(H2,24,27)/t22-/m0/s1
Affinity DataKi:  325nMAssay Description:The compound was tested for CNS binding affinity towards Dopamine receptor D2 from cloned Human membranes.More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Pharmacia & Upjohn

Curated by ChEMBL
LigandPNGBDBM50064784((S)-1-{2-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-eth...)
Show SMILES COc1ccc(cc1)N1CCN(CC[C@@H]2OCCc3cc(ccc23)C(N)=O)CC1
Show InChI InChI=1S/C23H29N3O3/c1-28-20-5-3-19(4-6-20)26-13-11-25(12-14-26)10-8-22-21-7-2-18(23(24)27)16-17(21)9-15-29-22/h2-7,16,22H,8-15H2,1H3,(H2,24,27)/t22-/m0/s1
Affinity DataKi:  967nMAssay Description:The compound was tested for CNS binding affinity towards 5-hydroxytryptamine 1A receptor from cloned Human membranes.More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1B(Gorilla gorilla gorilla)
Pharmacia & Upjohn

Curated by ChEMBL
LigandPNGBDBM50064784((S)-1-{2-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-eth...)
Show SMILES COc1ccc(cc1)N1CCN(CC[C@@H]2OCCc3cc(ccc23)C(N)=O)CC1
Show InChI InChI=1S/C23H29N3O3/c1-28-20-5-3-19(4-6-20)26-13-11-25(12-14-26)10-8-22-21-7-2-18(23(24)27)16-17(21)9-15-29-22/h2-7,16,22H,8-15H2,1H3,(H2,24,27)/t22-/m0/s1
Affinity DataKi:  3.02E+3nMAssay Description:The compound was tested for CNS binding affinity towards 5-hydroxytryptamine 1B receptor from cloned gorilla membranes expressed in cultured HEK 293 ...More data for this Ligand-Target Pair