BDBM50474070 CHEMBL289554

SMILES: COc1ccc(\C=C\C(=O)N2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1

InChI Key: InChIKey=ZFNSJMUDZCPHCI-SYZQJQIISA-N

Data: 2 Kd

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 2 hits for monomerid = 50474070   

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 (Homo sapiens (Human))	BDBM50474070 (CHEMBL289554) Show SMILES COc1ccc(\C=C\C(=O)N2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 Show InChI InChI=1S/C29H30F2N2O3/c1-35-27-13-2-22(3-14-27)4-15-28(34)33-18-16-32(17-19-33)20-21-36-29(23-5-9-25(30)10-6-23)24-7-11-26(31)12-8-24/h2-15,29H,16-21H2,1H3/b15-4+	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Inhibition of radioligand [125I]RTI-55 binding to human Dopamine transporter in clonal cells				J Med Chem 45: 1577-84 (2002) Article DOI: 10.1021/jm011007+ BindingDB Entry DOI: 10.7270/Q29026JT
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50474070 (CHEMBL289554) Show SMILES COc1ccc(\C=C\C(=O)N2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 Show InChI InChI=1S/C29H30F2N2O3/c1-35-27-13-2-22(3-14-27)4-15-28(34)33-18-16-32(17-19-33)20-21-36-29(23-5-9-25(30)10-6-23)24-7-11-26(31)12-8-24/h2-15,29H,16-21H2,1H3/b15-4+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	141	n/a	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Inhibition of [125I]RTI-55 binding to human SERT in clonal cells				J Med Chem 45: 1577-84 (2002) Article DOI: 10.1021/jm011007+ BindingDB Entry DOI: 10.7270/Q29026JT
					More data for this Ligand-Target Pair