BDBM50062762 CHEMBL3397792

SMILES: C(N[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1ccc2occc2c1

InChI Key: InChIKey=HCXUBXGZKOXSBD-AHWVRZQESA-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 = 50062762   

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))	BDBM50062762 (CHEMBL3397792) Show SMILES C(N[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1ccc2occc2c1 |r| Show InChI InChI=1S/C27H27NO2/c1-3-7-21(8-4-1)27(22-9-5-2-6-10-22)26-14-12-24(19-30-26)28-18-20-11-13-25-23(17-20)15-16-29-25/h1-11,13,15-17,24,26-28H,12,14,18-19H2/t24-,26-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.710	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
Norepinephrine Monoamine transporters (Rattus norvegicus)	BDBM50062762 (CHEMBL3397792) Show SMILES C(N[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1ccc2occc2c1 |r| Show InChI InChI=1S/C27H27NO2/c1-3-7-21(8-4-1)27(22-9-5-2-6-10-22)26-14-12-24(19-30-26)28-18-20-11-13-25-23(17-20)15-16-29-25/h1-11,13,15-17,24,26-28H,12,14,18-19H2/t24-,26-/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	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))	BDBM50062762 (CHEMBL3397792) Show SMILES C(N[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1ccc2occc2c1 |r| Show InChI InChI=1S/C27H27NO2/c1-3-7-21(8-4-1)27(22-9-5-2-6-10-22)26-14-12-24(19-30-26)28-18-20-11-13-25-23(17-20)15-16-29-25/h1-11,13,15-17,24,26-28H,12,14,18-19H2/t24-,26-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	82	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