BDBM50157301 CHEMBL3792786

SMILES: Cl.CN1[C@@H](CCc2ccc(O)cc2)CCC[C@H]1CCc1ccc(OCCF)cc1

InChI Key: InChIKey=WXKBPWGOLVBKFD-NSLUPJTDSA-N

Data: 3 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 3 hits for monomerid = 50157301   

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
Vesicular monoamine transporter 2 (VMAT2) (Rattus norvegicus (Rat))	BDBM50157301 (CHEMBL3792786) Show SMILES Cl.CN1[C@@H](CCc2ccc(O)cc2)CCC[C@H]1CCc1ccc(OCCF)cc1 |r| Show InChI InChI=1S/C24H32FNO2.ClH/c1-26-21(11-5-19-7-13-23(27)14-8-19)3-2-4-22(26)12-6-20-9-15-24(16-10-20)28-18-17-25;/h7-10,13-16,21-22,27H,2-6,11-12,17-18H2,1H3;1H/t21-,22+;/m1./s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas for Medical Sciences Curated by ChEMBL					Assay Description Inhibition of VMAT2 in rat striatal synaptic vesicle assessed as reduction of [3H]dopamine uptake after 8 mins by liquid scintillation spectrometric ...				Bioorg Med Chem Lett 26: 2422-7 (2016) BindingDB Entry DOI: 10.7270/Q2BC41DT
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50157301 (CHEMBL3792786) Show SMILES Cl.CN1[C@@H](CCc2ccc(O)cc2)CCC[C@H]1CCc1ccc(OCCF)cc1 |r| Show InChI InChI=1S/C24H32FNO2.ClH/c1-26-21(11-5-19-7-13-23(27)14-8-19)3-2-4-22(26)12-6-20-9-15-24(16-10-20)28-18-17-25;/h7-10,13-16,21-22,27H,2-6,11-12,17-18H2,1H3;1H/t21-,22+;/m1./s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.97E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas for Medical Sciences Curated by ChEMBL					Assay Description Inhibition of DAT in rat striatal synaptosomes assessed as reduction of [3H]dopamine uptake preincubated for 5 mins followed by [3H]dopamine addition...				Bioorg Med Chem Lett 26: 2422-7 (2016) BindingDB Entry DOI: 10.7270/Q2BC41DT
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50157301 (CHEMBL3792786) Show SMILES Cl.CN1[C@@H](CCc2ccc(O)cc2)CCC[C@H]1CCc1ccc(OCCF)cc1 |r| Show InChI InChI=1S/C24H32FNO2.ClH/c1-26-21(11-5-19-7-13-23(27)14-8-19)3-2-4-22(26)12-6-20-9-15-24(16-10-20)28-18-17-25;/h7-10,13-16,21-22,27H,2-6,11-12,17-18H2,1H3;1H/t21-,22+;/m1./s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arkansas for Medical Sciences Curated by ChEMBL					Assay Description Inhibition of SERT in rat striatal synaptosomes assessed as reduction of [3H]5-HT uptake preincubated for 5 mins followed by [3H]5-HT addition measur...				Bioorg Med Chem Lett 26: 2422-7 (2016) BindingDB Entry DOI: 10.7270/Q2BC41DT
					More data for this Ligand-Target Pair