BDBM50070518 (R)-3-{2-[4-(3,4-Dimethyl-phenyl)-piperazin-1-yl]-ethyl}-2,3-dihydro-isoindol-1-one::CHEMBL35093::PD-172939

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

InChI Key: InChIKey=WQEPZBNLBWDIRZ-OAQYLSRUSA-N

Data: 6 KI

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50070518   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Serotonin 2a (5-HT2a) receptor (BOVINE)	BDBM50070518 ((R)-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-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research Curated by ChEMBL					Assay Description In vivo binding affinity was evaluated against 5-hydroxytryptamine 2 receptor				Bioorg Med Chem Lett 8: 1499-502 (1999) BindingDB Entry DOI: 10.7270/Q2WH2P54
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50070518 ((R)-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-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research Curated by ChEMBL					Assay Description In vitro binding affinity at human dopamine D4 receptor expressed in CHO cells by [3H]spiperone displacement.				Bioorg Med Chem Lett 8: 1499-502 (1999) BindingDB Entry DOI: 10.7270/Q2WH2P54
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Rattus norvegicus (rat))	BDBM50070518 ((R)-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-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	127	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research Curated by ChEMBL					Assay Description In vivo binding affinity was evaluated against Alpha-1 adrenergic receptor				Bioorg Med Chem Lett 8: 1499-502 (1999) BindingDB Entry DOI: 10.7270/Q2WH2P54
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A) (Mus musculus (Mouse))	BDBM50070518 ((R)-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-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	525	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research Curated by ChEMBL					Assay Description In vivo binding affinity was evaluated against 5-hydroxytryptamine 1A receptor				Bioorg Med Chem Lett 8: 1499-502 (1999) BindingDB Entry DOI: 10.7270/Q2WH2P54
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Rattus norvegicus)	BDBM50070518 ((R)-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-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research Curated by ChEMBL					Assay Description In vivo binding affinity was evaluated against Alpha-2 adrenergic receptor				Bioorg Med Chem Lett 8: 1499-502 (1999) BindingDB Entry DOI: 10.7270/Q2WH2P54
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50070518 ((R)-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-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	2.75E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Parke-Davis Pharmaceutical Research Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human Dopamine receptor D2 expressed in CHO cells				Bioorg Med Chem Lett 8: 1499-502 (1999) BindingDB Entry DOI: 10.7270/Q2WH2P54
					More data for this Ligand-Target Pair