BDBM50247030 CHEMBL4100591

SMILES: Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCN1CCCCC1)c1ccc(F)cc1

InChI Key: InChIKey=WNOLENWLIXDFMX-UHFFFAOYSA-N

Data: 2 KI  1 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 3 hits for monomerid = 50247030   

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))	BDBM50247030 (CHEMBL4100591) Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCN1CCCCC1)c1ccc(F)cc1 |@@:9,TLB:8:9:16:12.13| Show InChI InChI=1S/C27H34F2N2O/c28-22-8-4-20(5-9-22)27(21-6-10-23(29)11-7-21)32-26-18-24-12-13-25(19-26)31(24)17-16-30-14-2-1-3-15-30/h4-11,24-27H,1-3,12-19H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]WIN35428 from Sprague-Dawley rat brain DAT after 120 mins by liquid scintillation counting method				J Med Chem 60: 10172-10187 (2017) Article DOI: 10.1021/acs.jmedchem.7b01454 BindingDB Entry DOI: 10.7270/Q2NG4T2P
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50247030 (CHEMBL4100591) Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCN1CCCCC1)c1ccc(F)cc1 |@@:9,TLB:8:9:16:12.13| Show InChI InChI=1S/C27H34F2N2O/c28-22-8-4-20(5-9-22)27(21-6-10-23(29)11-7-21)32-26-18-24-12-13-25(19-26)31(24)17-16-30-14-2-1-3-15-30/h4-11,24-27H,1-3,12-19H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.46E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from Sprague-Dawley rat brain SERT after 60 mins by liquid scintillation counting method				J Med Chem 60: 10172-10187 (2017) Article DOI: 10.1021/acs.jmedchem.7b01454 BindingDB Entry DOI: 10.7270/Q2NG4T2P
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50247030 (CHEMBL4100591) Show SMILES Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCN1CCCCC1)c1ccc(F)cc1 |@@:9,TLB:8:9:16:12.13| Show InChI InChI=1S/C27H34F2N2O/c28-22-8-4-20(5-9-22)27(21-6-10-23(29)11-7-21)32-26-18-24-12-13-25(19-26)31(24)17-16-30-14-2-1-3-15-30/h4-11,24-27H,1-3,12-19H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]Dofetilide from human ERG expressed in HEK cells after 180 mins by scintillation counting method				J Med Chem 60: 10172-10187 (2017) Article DOI: 10.1021/acs.jmedchem.7b01454 BindingDB Entry DOI: 10.7270/Q2NG4T2P
					More data for this Ligand-Target Pair