BDBM50157190 CHEMBL3793321

SMILES: Cl.Oc1ccc(CC[C@H]2CCC[C@@H](CCc3ccc(O)cc3)N2)cc1

InChI Key: InChIKey=DVLFELYGGGEPKF-AQDIUKAZSA-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 = 50157190   

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))	BDBM50157190 (CHEMBL3793321) Show SMILES Cl.Oc1ccc(CC[C@H]2CCC[C@@H](CCc3ccc(O)cc3)N2)cc1 |r| Show InChI InChI=1S/C21H27NO2.ClH/c23-20-12-6-16(7-13-20)4-10-18-2-1-3-19(22-18)11-5-17-8-14-21(24)15-9-17;/h6-9,12-15,18-19,22-24H,1-5,10-11H2;1H/t18-,19+;	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))	BDBM50157190 (CHEMBL3793321) Show SMILES Cl.Oc1ccc(CC[C@H]2CCC[C@@H](CCc3ccc(O)cc3)N2)cc1 |r| Show InChI InChI=1S/C21H27NO2.ClH/c23-20-12-6-16(7-13-20)4-10-18-2-1-3-19(22-18)11-5-17-8-14-21(24)15-9-17;/h6-9,12-15,18-19,22-24H,1-5,10-11H2;1H/t18-,19+;	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	866	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))	BDBM50157190 (CHEMBL3793321) Show SMILES Cl.Oc1ccc(CC[C@H]2CCC[C@@H](CCc3ccc(O)cc3)N2)cc1 |r| Show InChI InChI=1S/C21H27NO2.ClH/c23-20-12-6-16(7-13-20)4-10-18-2-1-3-19(22-18)11-5-17-8-14-21(24)15-9-17;/h6-9,12-15,18-19,22-24H,1-5,10-11H2;1H/t18-,19+;	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.03E+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 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