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 or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50070514   

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
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50070514 ((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	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Binding affinity towards human dopamine receptor D4				J Med Chem 44: 477-501 (2001) BindingDB Entry DOI: 10.7270/Q24Q7VQH
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50070514 ((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	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	7.80	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
Serotonin 2a (5-HT2a) receptor (BOVINE)	BDBM50070514 ((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	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	15	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
Alpha-2A adrenergic receptor (Rattus norvegicus (rat))	BDBM50070514 ((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	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	343	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))	BDBM50070514 ((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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	991	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)	BDBM50070514 ((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	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	1.71E+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))	BDBM50070514 ((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	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	5.88E+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