BDBM50051561 1-((S)-2-Isochroman-1-yl-ethyl)-4-(4-methoxy-phenyl)-piperazine::CHEMBL309730

SMILES COc1ccc(cc1)N1CCN(CC[C@@H]2OCCc3ccccc23)CC1

InChI Key InChIKey=IAUNACXRZSWWJT-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 = 50051561   

TargetD(4) dopamine receptor(RAT)
Pharmacia & Upjohn

Curated by ChEMBL
LigandPNGBDBM50051561(1-((S)-2-Isochroman-1-yl-ethyl)-4-(4-methoxy-pheny...)
Show SMILES COc1ccc(cc1)N1CCN(CC[C@@H]2OCCc3ccccc23)CC1
Show InChI InChI=1S/C22H28N2O2/c1-25-20-8-6-19(7-9-20)24-15-13-23(14-16-24)12-10-22-21-5-3-2-4-18(21)11-17-26-22/h2-9,22H,10-17H2,1H3/t22-/m0/s1
Affinity DataKi:  2.20nMAssay Description:Binding affinity of [3H]-Spiperone towards Dopamine receptor D4 expressed in cultured cells or from rat whole brain.More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Rattus norvegicus (rat))
Pharmacia & Upjohn

Curated by ChEMBL
LigandPNGBDBM50051561(1-((S)-2-Isochroman-1-yl-ethyl)-4-(4-methoxy-pheny...)
Show SMILES COc1ccc(cc1)N1CCN(CC[C@@H]2OCCc3ccccc23)CC1
Show InChI InChI=1S/C22H28N2O2/c1-25-20-8-6-19(7-9-20)24-15-13-23(14-16-24)12-10-22-21-5-3-2-4-18(21)11-17-26-22/h2-9,22H,10-17H2,1H3/t22-/m0/s1
Affinity DataKi:  490nMAssay Description:Binding affinity of [3H]-8-OH-DPAT towards 5-hydroxytryptamine 1A receptor in cloned mammalian receptor expressed in cultured cells or from rat whole...More data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
Pharmacia & Upjohn

Curated by ChEMBL
LigandPNGBDBM50051561(1-((S)-2-Isochroman-1-yl-ethyl)-4-(4-methoxy-pheny...)
Show SMILES COc1ccc(cc1)N1CCN(CC[C@@H]2OCCc3ccccc23)CC1
Show InChI InChI=1S/C22H28N2O2/c1-25-20-8-6-19(7-9-20)24-15-13-23(14-16-24)12-10-22-21-5-3-2-4-18(21)11-17-26-22/h2-9,22H,10-17H2,1H3/t22-/m0/s1
Affinity DataKi:  790nMAssay Description:Binding affinity of the compound to rat Dopamine receptor D2 expressesd in CHO cells was determined using [125 I ] iodosulpride as radioligandMore data for this Ligand-Target Pair
TargetD(3) dopamine receptor(Rattus norvegicus (Rat))
Pharmacia & Upjohn

Curated by ChEMBL
LigandPNGBDBM50051561(1-((S)-2-Isochroman-1-yl-ethyl)-4-(4-methoxy-pheny...)
Show SMILES COc1ccc(cc1)N1CCN(CC[C@@H]2OCCc3ccccc23)CC1
Show InChI InChI=1S/C22H28N2O2/c1-25-20-8-6-19(7-9-20)24-15-13-23(14-16-24)12-10-22-21-5-3-2-4-18(21)11-17-26-22/h2-9,22H,10-17H2,1H3/t22-/m0/s1
Affinity DataKi:  1.30E+3nMAssay Description:Binding affinity of [3H]-Spiperone towards Dopamine receptor D3 in cloned mammalian receptor expressed in cultured cells or from rat whole brain.More data for this Ligand-Target Pair
TargetD(1A) dopamine receptor(RAT)
Pharmacia & Upjohn

Curated by ChEMBL
LigandPNGBDBM50051561(1-((S)-2-Isochroman-1-yl-ethyl)-4-(4-methoxy-pheny...)
Show SMILES COc1ccc(cc1)N1CCN(CC[C@@H]2OCCc3ccccc23)CC1
Show InChI InChI=1S/C22H28N2O2/c1-25-20-8-6-19(7-9-20)24-15-13-23(14-16-24)12-10-22-21-5-3-2-4-18(21)11-17-26-22/h2-9,22H,10-17H2,1H3/t22-/m0/s1
Affinity DataKi: >2.40E+3nMAssay Description:Binding affinity of [3H]-SCH-23,390 towards Dopamine receptor D1 in cloned mammalian receptor expressed in cultured cells or from rat whole brain.More data for this Ligand-Target Pair