BDBM50026951 (cis) 2-{4-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-piperazin-1-yl}-ethanol::2-{4-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-yl]-piperazin-1-yl}-ethanol::CHEMBL1204347::CHEMBL136562

SMILES: OCCN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1

InChI Key: InChIKey=KHGDILJGZLKKBP-UHFFFAOYSA-N

Data: 10 IC50

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 10 hits for monomerid = 50026951   

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 (Rattus norvegicus (rat))	BDBM50026951 ((cis) 2-{4-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-y...) Show SMILES OCCN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1 Show InChI InChI=1S/C21H24F2N2O/c22-16-3-1-15(2-4-16)19-14-21(20-13-17(23)5-6-18(19)20)25-9-7-24(8-10-25)11-12-26/h1-6,13,19,21,26H,7-12,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Binding affinity against dopamine receptor D2				J Med Chem 38: 4380-92 (1995) BindingDB Entry DOI: 10.7270/Q28C9V87
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50026951 ((cis) 2-{4-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-y...) Show SMILES OCCN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1 Show InChI InChI=1S/C21H24F2N2O/c22-16-3-1-15(2-4-16)19-14-21(20-13-17(23)5-6-18(19)20)25-9-7-24(8-10-25)11-12-26/h1-6,13,19,21,26H,7-12,14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Binding affinity for dopamine receptor D1, activity is expressed as IC50 values.				J Med Chem 38: 4380-92 (1995) BindingDB Entry DOI: 10.7270/Q28C9V87
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50026951 ((cis) 2-{4-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-y...) Show SMILES OCCN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1 Show InChI InChI=1S/C21H24F2N2O/c22-16-3-1-15(2-4-16)19-14-21(20-13-17(23)5-6-18(19)20)25-9-7-24(8-10-25)11-12-26/h1-6,13,19,21,26H,7-12,14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	9.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Effect on synaptosomal uptake inhibition of 5-hydroxytryptamine (5-HT)				J Med Chem 26: 935-47 (1983) BindingDB Entry DOI: 10.7270/Q2JH3MR6
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50026951 ((cis) 2-{4-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-y...) Show SMILES OCCN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1 Show InChI InChI=1S/C21H24F2N2O/c22-16-3-1-15(2-4-16)19-14-21(20-13-17(23)5-6-18(19)20)25-9-7-24(8-10-25)11-12-26/h1-6,13,19,21,26H,7-12,14H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Effect on synaptosomal uptake inhibition of Dopamine transporter				J Med Chem 26: 935-47 (1983) BindingDB Entry DOI: 10.7270/Q2JH3MR6
					More data for this Ligand-Target Pair
Adrenergic receptor beta (Rattus norvegicus (Rat))	BDBM50026951 ((cis) 2-{4-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-y...) Show SMILES OCCN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1 Show InChI InChI=1S/C21H24F2N2O/c22-16-3-1-15(2-4-16)19-14-21(20-13-17(23)5-6-18(19)20)25-9-7-24(8-10-25)11-12-26/h1-6,13,19,21,26H,7-12,14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Effect on synaptosomal uptake inhibition of Noradrenaline (NA)				J Med Chem 26: 935-47 (1983) BindingDB Entry DOI: 10.7270/Q2JH3MR6
					More data for this Ligand-Target Pair
Dopamine receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50026951 ((cis) 2-{4-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-y...) Show SMILES OCCN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1 Show InChI InChI=1S/C21H24F2N2O/c22-16-3-1-15(2-4-16)19-14-21(20-13-17(23)5-6-18(19)20)25-9-7-24(8-10-25)11-12-26/h1-6,13,19,21,26H,7-12,14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Effect on synaptosomal uptake inhibition of 5-hydroxytryptamine (5-HT)				J Med Chem 26: 935-47 (1983) BindingDB Entry DOI: 10.7270/Q2JH3MR6
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50026951 ((cis) 2-{4-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-y...) Show SMILES OCCN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1 Show InChI InChI=1S/C21H24F2N2O/c22-16-3-1-15(2-4-16)19-14-21(20-13-17(23)5-6-18(19)20)25-9-7-24(8-10-25)11-12-26/h1-6,13,19,21,26H,7-12,14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Effect on synaptosomal uptake inhibition of 5-hydroxytryptamine (5-HT)				J Med Chem 26: 935-47 (1983) BindingDB Entry DOI: 10.7270/Q2JH3MR6
					More data for this Ligand-Target Pair
Adrenergic receptor beta (Rattus norvegicus (Rat))	BDBM50026951 ((cis) 2-{4-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-y...) Show SMILES OCCN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1 Show InChI InChI=1S/C21H24F2N2O/c22-16-3-1-15(2-4-16)19-14-21(20-13-17(23)5-6-18(19)20)25-9-7-24(8-10-25)11-12-26/h1-6,13,19,21,26H,7-12,14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Effect on synaptosomal uptake inhibition of Noradrenaline (NA)				J Med Chem 26: 935-47 (1983) BindingDB Entry DOI: 10.7270/Q2JH3MR6
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50026951 ((cis) 2-{4-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-y...) Show SMILES OCCN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1 Show InChI InChI=1S/C21H24F2N2O/c22-16-3-1-15(2-4-16)19-14-21(20-13-17(23)5-6-18(19)20)25-9-7-24(8-10-25)11-12-26/h1-6,13,19,21,26H,7-12,14H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Effect on synaptosomal uptake inhibition of Dopamine transporter				J Med Chem 26: 935-47 (1983) BindingDB Entry DOI: 10.7270/Q2JH3MR6
					More data for this Ligand-Target Pair
Dopamine receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50026951 ((cis) 2-{4-[6-Fluoro-3-(4-fluoro-phenyl)-indan-1-y...) Show SMILES OCCN1CCN(CC1)C1CC(c2ccc(F)cc12)c1ccc(F)cc1 Show InChI InChI=1S/C21H24F2N2O/c22-16-3-1-15(2-4-16)19-14-21(20-13-17(23)5-6-18(19)20)25-9-7-24(8-10-25)11-12-26/h1-6,13,19,21,26H,7-12,14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Effect on synaptosomal uptake inhibition of Noradrenaline (NA)				J Med Chem 26: 935-47 (1983) BindingDB Entry DOI: 10.7270/Q2JH3MR6
					More data for this Ligand-Target Pair