BDBM50118603 4-(2-(bis(4-fluorophenyl)methoxy)ethyl)-1-(3-phenylprop-2-ynyl)piperidine::4-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-1-(3-phenyl-prop-2-ynyl)-piperidine::CHEMBL136249

SMILES: Fc1ccc(cc1)C(OCCC1CCN(CC#Cc2ccccc2)CC1)c1ccc(F)cc1

InChI Key: InChIKey=QGSJJLSDNPKNBC-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50118603   

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
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50118603 (4-(2-(bis(4-fluorophenyl)methoxy)ethyl)-1-(3-pheny...) Show SMILES Fc1ccc(cc1)C(OCCC1CCN(CC#Cc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C29H29F2NO/c30-27-12-8-25(9-13-27)29(26-10-14-28(31)15-11-26)33-22-18-24-16-20-32(21-17-24)19-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,24,29H,16-22H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Heights Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from DAT in rat brain synaptosomes				Bioorg Med Chem 15: 1146-59 (2006) Article DOI: 10.1016/j.bmc.2006.09.070 BindingDB Entry DOI: 10.7270/Q2M61JXC
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50118603 (4-(2-(bis(4-fluorophenyl)methoxy)ethyl)-1-(3-pheny...) Show SMILES Fc1ccc(cc1)C(OCCC1CCN(CC#Cc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C29H29F2NO/c30-27-12-8-25(9-13-27)29(26-10-14-28(31)15-11-26)33-22-18-24-16-20-32(21-17-24)19-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,24,29H,16-22H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Binding affinity of the compound towards dopamine transporter (DAT) by using [125I]-RTI-55 radioligand				J Med Chem 45: 4371-4 (2002) BindingDB Entry DOI: 10.7270/Q2RF5TCP
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50118603 (4-(2-(bis(4-fluorophenyl)methoxy)ethyl)-1-(3-pheny...) Show SMILES Fc1ccc(cc1)C(OCCC1CCN(CC#Cc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C29H29F2NO/c30-27-12-8-25(9-13-27)29(26-10-14-28(31)15-11-26)33-22-18-24-16-20-32(21-17-24)19-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,24,29H,16-22H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	164	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Heights Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from SERT in rat brain synaptosomes				Bioorg Med Chem 15: 1146-59 (2006) Article DOI: 10.1016/j.bmc.2006.09.070 BindingDB Entry DOI: 10.7270/Q2M61JXC
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50118603 (4-(2-(bis(4-fluorophenyl)methoxy)ethyl)-1-(3-pheny...) Show SMILES Fc1ccc(cc1)C(OCCC1CCN(CC#Cc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C29H29F2NO/c30-27-12-8-25(9-13-27)29(26-10-14-28(31)15-11-26)33-22-18-24-16-20-32(21-17-24)19-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,24,29H,16-22H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	164	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Binding affinity for serotonin transporter (SERT) using [125I]-RTI-55				J Med Chem 45: 4371-4 (2002) BindingDB Entry DOI: 10.7270/Q2RF5TCP
					More data for this Ligand-Target Pair