BDBM50070514 (S)-3-{2-[4-(3,4-Dimethyl-phenyl)-piperazin-1-yl]-ethyl}-2,3-dihydro-isoindol-1-one::3-{2-[4-(3,4-Dimethyl-phenyl)-piperazin-1-yl]-ethyl}-2,3-dihydro-isoindol-1-one (PD-18126)::CHEMBL37170::PD-172938::PD-18126

SMILES Cc1ccc(cc1C)N1CCN(CC[C@@H]2NC(=O)c3ccccc23)CC1

InChI Key InChIKey=WQEPZBNLBWDIRZ-NRFANRHFSA-N

Data  7 KI

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50070514   

TargetD(4) dopamine receptor(Homo sapiens (Human))
Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50070514((S)-3-{2-[4-(3,4-Dimethyl-phenyl)-piperazin-1-yl]-...)
Show SMILES Cc1ccc(cc1C)N1CCN(CC[C@@H]2NC(=O)c3ccccc23)CC1
Show InChI InChI=1S/C22H27N3O/c1-16-7-8-18(15-17(16)2)25-13-11-24(12-14-25)10-9-21-19-5-3-4-6-20(19)22(26)23-21/h3-8,15,21H,9-14H2,1-2H3,(H,23,26)/t21-/m0/s1
Affinity DataKi:  7.80nMAssay Description:Binding affinity towards human dopamine receptor D4More data for this Ligand-Target Pair
TargetD(4) dopamine receptor(Homo sapiens (Human))
Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50070514((S)-3-{2-[4-(3,4-Dimethyl-phenyl)-piperazin-1-yl]-...)
Show SMILES Cc1ccc(cc1C)N1CCN(CC[C@@H]2NC(=O)c3ccccc23)CC1
Show InChI InChI=1S/C22H27N3O/c1-16-7-8-18(15-17(16)2)25-13-11-24(12-14-25)10-9-21-19-5-3-4-6-20(19)22(26)23-21/h3-8,15,21H,9-14H2,1-2H3,(H,23,26)/t21-/m0/s1
Affinity DataKi:  7.80nMAssay Description:In vitro binding affinity at human dopamine D4 receptor expressed in CHO cells by [3H]spiperone displacement.More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A(BOVINE)
Parke-Davis Pharmaceutical Research

Curated by ChEMBL
LigandPNGBDBM50070514((S)-3-{2-[4-(3,4-Dimethyl-phenyl)-piperazin-1-yl]-...)
Show SMILES Cc1ccc(cc1C)N1CCN(CC[C@@H]2NC(=O)c3ccccc23)CC1
Show InChI InChI=1S/C22H27N3O/c1-16-7-8-18(15-17(16)2)25-13-11-24(12-14-25)10-9-21-19-5-3-4-6-20(19)22(26)23-21/h3-8,15,21H,9-14H2,1-2H3,(H,23,26)/t21-/m0/s1
Affinity DataKi:  15nMAssay Description:In vivo binding affinity was evaluated against 5-hydroxytryptamine 2 receptorMore data for this Ligand-Target Pair
TargetAlpha-2A adrenergic receptor [16-465](Rattus norvegicus (rat))
Parke-Davis Pharmaceutical Research

Curated by ChEMBL
LigandPNGBDBM50070514((S)-3-{2-[4-(3,4-Dimethyl-phenyl)-piperazin-1-yl]-...)
Show SMILES Cc1ccc(cc1C)N1CCN(CC[C@@H]2NC(=O)c3ccccc23)CC1
Show InChI InChI=1S/C22H27N3O/c1-16-7-8-18(15-17(16)2)25-13-11-24(12-14-25)10-9-21-19-5-3-4-6-20(19)22(26)23-21/h3-8,15,21H,9-14H2,1-2H3,(H,23,26)/t21-/m0/s1
Affinity DataKi:  343nMAssay Description:In vivo binding affinity was evaluated against Alpha-1 adrenergic receptorMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Mus musculus (Mouse))
Parke-Davis Pharmaceutical Research

Curated by ChEMBL
LigandPNGBDBM50070514((S)-3-{2-[4-(3,4-Dimethyl-phenyl)-piperazin-1-yl]-...)
Show SMILES Cc1ccc(cc1C)N1CCN(CC[C@@H]2NC(=O)c3ccccc23)CC1
Show InChI InChI=1S/C22H27N3O/c1-16-7-8-18(15-17(16)2)25-13-11-24(12-14-25)10-9-21-19-5-3-4-6-20(19)22(26)23-21/h3-8,15,21H,9-14H2,1-2H3,(H,23,26)/t21-/m0/s1
Affinity DataKi:  991nMAssay Description:In vivo binding affinity was evaluated against 5-hydroxytryptamine 1A receptorMore data for this Ligand-Target Pair
TargetAdenosine receptor A2b(Rattus norvegicus)
Parke-Davis Pharmaceutical Research

Curated by ChEMBL
LigandPNGBDBM50070514((S)-3-{2-[4-(3,4-Dimethyl-phenyl)-piperazin-1-yl]-...)
Show SMILES Cc1ccc(cc1C)N1CCN(CC[C@@H]2NC(=O)c3ccccc23)CC1
Show InChI InChI=1S/C22H27N3O/c1-16-7-8-18(15-17(16)2)25-13-11-24(12-14-25)10-9-21-19-5-3-4-6-20(19)22(26)23-21/h3-8,15,21H,9-14H2,1-2H3,(H,23,26)/t21-/m0/s1
Affinity DataKi:  1.71E+3nMAssay Description:In vivo binding affinity was evaluated against Alpha-2 adrenergic receptorMore data for this Ligand-Target Pair
TargetD(2) dopamine receptor(Homo sapiens (Human))
Parke-Davis Pharmaceutical Research

Curated by ChEMBL
LigandPNGBDBM50070514((S)-3-{2-[4-(3,4-Dimethyl-phenyl)-piperazin-1-yl]-...)
Show SMILES Cc1ccc(cc1C)N1CCN(CC[C@@H]2NC(=O)c3ccccc23)CC1
Show InChI InChI=1S/C22H27N3O/c1-16-7-8-18(15-17(16)2)25-13-11-24(12-14-25)10-9-21-19-5-3-4-6-20(19)22(26)23-21/h3-8,15,21H,9-14H2,1-2H3,(H,23,26)/t21-/m0/s1
Affinity DataKi:  5.88E+3nMAssay Description:Displacement of [3H]spiperone from human Dopamine receptor D2 expressed in CHO cellsMore data for this Ligand-Target Pair