BDBM50020174 1-Benzofuran-7-yl-4-[5-(4-fluoro-phenyl)-1H-pyrrol-2-ylmethyl]-piperazine::CHEMBL292187::Elopiprazole

SMILES: Fc1ccc(cc1)-c1ccc(CN2CCN(CC2)c2cccc3ccoc23)[nH]1

InChI Key: InChIKey=PGNHBJGIQAEIHD-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50020174   

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(2) dopamine receptor (Homo sapiens (Human))	BDBM50020174 (1-Benzofuran-7-yl-4-[5-(4-fluoro-phenyl)-1H-pyrrol...) Show SMILES Fc1ccc(cc1)-c1ccc(CN2CCN(CC2)c2cccc3ccoc23)[nH]1 Show InChI InChI=1S/C23H22FN3O/c24-19-6-4-17(5-7-19)21-9-8-20(25-21)16-26-11-13-27(14-12-26)22-3-1-2-18-10-15-28-23(18)22/h1-10,15,25H,11-14,16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for dopamine receptor D2 determined using [3H]-spiperone				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50020174 (1-Benzofuran-7-yl-4-[5-(4-fluoro-phenyl)-1H-pyrrol...) Show SMILES Fc1ccc(cc1)-c1ccc(CN2CCN(CC2)c2cccc3ccoc23)[nH]1 Show InChI InChI=1S/C23H22FN3O/c24-19-6-4-17(5-7-19)21-9-8-20(25-21)16-26-11-13-27(14-12-26)22-3-1-2-18-10-15-28-23(18)22/h1-10,15,25H,11-14,16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duphar Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Spiperone from Dopamine receptor D2 in rat striatum				J Med Chem 31: 1934-40 (1988) BindingDB Entry DOI: 10.7270/Q2SJ1JMB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50020174 (1-Benzofuran-7-yl-4-[5-(4-fluoro-phenyl)-1H-pyrrol...) Show SMILES Fc1ccc(cc1)-c1ccc(CN2CCN(CC2)c2cccc3ccoc23)[nH]1 Show InChI InChI=1S/C23H22FN3O/c24-19-6-4-17(5-7-19)21-9-8-20(25-21)16-26-11-13-27(14-12-26)22-3-1-2-18-10-15-28-23(18)22/h1-10,15,25H,11-14,16H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Binding affinity for 5-hydroxytryptamine 1A receptor determined using [3H]-8-OH-DPAT as radioligand				Bioorg Med Chem Lett 11: 2345-9 (2001) BindingDB Entry DOI: 10.7270/Q2RR1XH9
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50020174 (1-Benzofuran-7-yl-4-[5-(4-fluoro-phenyl)-1H-pyrrol...) Show SMILES Fc1ccc(cc1)-c1ccc(CN2CCN(CC2)c2cccc3ccoc23)[nH]1 Show InChI InChI=1S/C23H22FN3O/c24-19-6-4-17(5-7-19)21-9-8-20(25-21)16-26-11-13-27(14-12-26)22-3-1-2-18-10-15-28-23(18)22/h1-10,15,25H,11-14,16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duphar Research Laboratories Curated by ChEMBL					Assay Description Potency to displace [3H]- Spiperone from 5-hydroxytryptamine 2 receptor in rat striatum				J Med Chem 31: 1934-40 (1988) BindingDB Entry DOI: 10.7270/Q2SJ1JMB
					More data for this Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50020174 (1-Benzofuran-7-yl-4-[5-(4-fluoro-phenyl)-1H-pyrrol...) Show SMILES Fc1ccc(cc1)-c1ccc(CN2CCN(CC2)c2cccc3ccoc23)[nH]1 Show InChI InChI=1S/C23H22FN3O/c24-19-6-4-17(5-7-19)21-9-8-20(25-21)16-26-11-13-27(14-12-26)22-3-1-2-18-10-15-28-23(18)22/h1-10,15,25H,11-14,16H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duphar Research Laboratories Curated by ChEMBL					Assay Description Potency to displace [3H]- WB-4101 from alpha-1 adrenergic receptor in rat striatum				J Med Chem 31: 1934-40 (1988) BindingDB Entry DOI: 10.7270/Q2SJ1JMB
					More data for this Ligand-Target Pair