BDBM50062765 CHEMBL3397793

SMILES: O[C@@H]1C[C@H](OC[C@H]1NCc1ccc2occc2c1)C(c1ccccc1)c1ccccc1

InChI Key: InChIKey=LOCWYQPTPUGIAB-MZKUHISZSA-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 = 50062765   

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 serotonin transporter (Rattus norvegicus (rat))	BDBM50062765 (CHEMBL3397793) Show SMILES O[C@@H]1C[C@H](OC[C@H]1NCc1ccc2occc2c1)C(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C27H27NO3/c29-24-16-26(27(20-7-3-1-4-8-20)21-9-5-2-6-10-21)31-18-23(24)28-17-19-11-12-25-22(15-19)13-14-30-25/h1-15,23-24,26-29H,16-18H2/t23-,24-,26+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of [1,2-3H]serotonin reuptake in rat cerebral cortex SERT				Bioorg Med Chem 23: 821-8 (2015) Article DOI: 10.1016/j.bmc.2014.12.040 BindingDB Entry DOI: 10.7270/Q2SQ921P
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50062765 (CHEMBL3397793) Show SMILES O[C@@H]1C[C@H](OC[C@H]1NCc1ccc2occc2c1)C(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C27H27NO3/c29-24-16-26(27(20-7-3-1-4-8-20)21-9-5-2-6-10-21)31-18-23(24)28-17-19-11-12-25-22(15-19)13-14-30-25/h1-15,23-24,26-29H,16-18H2/t23-,24-,26+/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of [ring 2,5,6-3H]dopamine reuptake in rat cerebral cortex NET				Bioorg Med Chem 23: 821-8 (2015) Article DOI: 10.1016/j.bmc.2014.12.040 BindingDB Entry DOI: 10.7270/Q2SQ921P
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50062765 (CHEMBL3397793) Show SMILES O[C@@H]1C[C@H](OC[C@H]1NCc1ccc2occc2c1)C(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C27H27NO3/c29-24-16-26(27(20-7-3-1-4-8-20)21-9-5-2-6-10-21)31-18-23(24)28-17-19-11-12-25-22(15-19)13-14-30-25/h1-15,23-24,26-29H,16-18H2/t23-,24-,26+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	234	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Inhibition of [ring 2,5,6-3H]dopamine reuptake in rat striatum DAT				Bioorg Med Chem 23: 821-8 (2015) Article DOI: 10.1016/j.bmc.2014.12.040 BindingDB Entry DOI: 10.7270/Q2SQ921P
					More data for this Ligand-Target Pair