BDBM50157191 CHEMBL3793365

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

InChI Key: InChIKey=YWBJDGKDIZGTEI-BIBCNAKVSA-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 = 50157191   

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))	BDBM50157191 (CHEMBL3793365) Show SMILES Cl.OC[C@H](O)CN1[C@@H](CCc2ccc(O)cc2)CCC[C@H]1CCc1ccc(O)cc1 |r| Show InChI InChI=1S/C24H33NO4.ClH/c26-17-24(29)16-25-20(10-4-18-6-12-22(27)13-7-18)2-1-3-21(25)11-5-19-8-14-23(28)15-9-19;/h6-9,12-15,20-21,24,26-29H,1-5,10-11,16-17H2;1H/t20-,21+,24-;/m1./s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	39	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))	BDBM50157191 (CHEMBL3793365) Show SMILES Cl.OC[C@H](O)CN1[C@@H](CCc2ccc(O)cc2)CCC[C@H]1CCc1ccc(O)cc1 |r| Show InChI InChI=1S/C24H33NO4.ClH/c26-17-24(29)16-25-20(10-4-18-6-12-22(27)13-7-18)2-1-3-21(25)11-5-19-8-14-23(28)15-9-19;/h6-9,12-15,20-21,24,26-29H,1-5,10-11,16-17H2;1H/t20-,21+,24-;/m1./s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.43E+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))	BDBM50157191 (CHEMBL3793365) Show SMILES Cl.OC[C@H](O)CN1[C@@H](CCc2ccc(O)cc2)CCC[C@H]1CCc1ccc(O)cc1 |r| Show InChI InChI=1S/C24H33NO4.ClH/c26-17-24(29)16-25-20(10-4-18-6-12-22(27)13-7-18)2-1-3-21(25)11-5-19-8-14-23(28)15-9-19;/h6-9,12-15,20-21,24,26-29H,1-5,10-11,16-17H2;1H/t20-,21+,24-;/m1./s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.29E+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