BDBM50247024 CHEMBL4097211

SMILES: CCOC(=O)[C@@H]1C2CCC(C[C@@H]1NC(c1ccc(F)cc1)c1ccc(F)cc1)N2CCN

InChI Key: InChIKey=SKCJKIVSSHLXLW-ZWDXQAFOSA-N

Data: 2 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 2 hits for monomerid = 50247024   

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))	BDBM50247024 (CHEMBL4097211) Show SMILES CCOC(=O)[C@@H]1C2CCC(C[C@@H]1NC(c1ccc(F)cc1)c1ccc(F)cc1)N2CCN |r,TLB:12:11:28:7.8,THB:3:5:28:7.8| Show InChI InChI=1S/C25H31F2N3O2/c1-2-32-25(31)23-21(15-20-11-12-22(23)30(20)14-13-28)29-24(16-3-7-18(26)8-4-16)17-5-9-19(27)10-6-17/h3-10,20-24,29H,2,11-15,28H2,1H3/t20?,21-,22?,23-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	17	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))	BDBM50247024 (CHEMBL4097211) Show SMILES CCOC(=O)[C@@H]1C2CCC(C[C@@H]1NC(c1ccc(F)cc1)c1ccc(F)cc1)N2CCN |r,TLB:12:11:28:7.8,THB:3:5:28:7.8| Show InChI InChI=1S/C25H31F2N3O2/c1-2-32-25(31)23-21(15-20-11-12-22(23)30(20)14-13-28)29-24(16-3-7-18(26)8-4-16)17-5-9-19(27)10-6-17/h3-10,20-24,29H,2,11-15,28H2,1H3/t20?,21-,22?,23-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	5.58E+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