BDBM50035758 CHEMBL339763::[3-(4-Iodo-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]oct-2-yl]-isoxazolidin-2-yl-methanone

SMILES: CN1C2CCC1C(C(C2)c1ccc(I)cc1)C(=O)N1CCCO1

InChI Key: InChIKey=QCUDYJXEEDCQAN-UHFFFAOYSA-N

Data: 3 IC50

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 = 50035758   

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
Norepinephrine Monoamine transporters (Rattus norvegicus)	BDBM50035758 (CHEMBL339763 | [3-(4-Iodo-phenyl)-8-methyl-8-aza-b...) Show SMILES CN1C2CCC1C(C(C2)c1ccc(I)cc1)C(=O)N1CCCO1 |TLB:16:6:1:4.3,THB:9:7:1:4.3| Show InChI InChI=1S/C18H23IN2O2/c1-20-14-7-8-16(20)17(18(22)21-9-2-10-23-21)15(11-14)12-3-5-13(19)6-4-12/h3-6,14-17H,2,7-11H2,1H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	357	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity at the Norepinephrine transporter in rat frontal cortex by inhibition of 0.5 nM [3H]nisoxetine binding				J Med Chem 38: 379-88 (1995) BindingDB Entry DOI: 10.7270/Q2D50NM0
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50035758 (CHEMBL339763 | [3-(4-Iodo-phenyl)-8-methyl-8-aza-b...) Show SMILES CN1C2CCC1C(C(C2)c1ccc(I)cc1)C(=O)N1CCCO1 |TLB:16:6:1:4.3,THB:9:7:1:4.3| Show InChI InChI=1S/C18H23IN2O2/c1-20-14-7-8-16(20)17(18(22)21-9-2-10-23-21)15(11-14)12-3-5-13(19)6-4-12/h3-6,14-17H,2,7-11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.75	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity at the Dopamine transporter in rat striata by inhibition of 0.5 nM [3H]WIN-35428 binding				J Med Chem 38: 379-88 (1995) BindingDB Entry DOI: 10.7270/Q2D50NM0
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50035758 (CHEMBL339763 | [3-(4-Iodo-phenyl)-8-methyl-8-aza-b...) Show SMILES CN1C2CCC1C(C(C2)c1ccc(I)cc1)C(=O)N1CCCO1 |TLB:16:6:1:4.3,THB:9:7:1:4.3| Show InChI InChI=1S/C18H23IN2O2/c1-20-14-7-8-16(20)17(18(22)21-9-2-10-23-21)15(11-14)12-3-5-13(19)6-4-12/h3-6,14-17H,2,7-11H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity at the Serotonin transporter in rat midbrain by inhibition of 0.5 nM [3H]-paroxetine binding				J Med Chem 38: 379-88 (1995) BindingDB Entry DOI: 10.7270/Q2D50NM0
					More data for this Ligand-Target Pair