BDBM50041604 3-(4-Chloro-phenyl)-8-((E)-3-iodo-allyl)-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester::CHEMBL39576

SMILES: COC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C\C=C\I

InChI Key: InChIKey=NHXMCNVSIJECMD-XNWCZRBMSA-N

Data: 2 KI  1 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 = 50041604   

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 dopamine transporter (Rattus norvegicus (rat))	BDBM50041604 (3-(4-Chloro-phenyl)-8-((E)-3-iodo-allyl)-8-aza-bic...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C\C=C\I |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C18H21ClINO2/c1-23-18(22)17-15(12-3-5-13(19)6-4-12)11-14-7-8-16(17)21(14)10-2-9-20/h2-6,9,14-17H,7-8,10-11H2,1H3/b9-2+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Medical Center at Knoxville 37920. Curated by ChEMBL					Assay Description Inhibitory constant towards reuptake of [125I]-12 from dopamine transporter in rat striatal membranes				J Med Chem 37: 1535-42 (1994) BindingDB Entry DOI: 10.7270/Q2SX6DVH
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50041604 (3-(4-Chloro-phenyl)-8-((E)-3-iodo-allyl)-8-aza-bic...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C\C=C\I |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C18H21ClINO2/c1-23-18(22)17-15(12-3-5-13(19)6-4-12)11-14-7-8-16(17)21(14)10-2-9-20/h2-6,9,14-17H,7-8,10-11H2,1H3/b9-2+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Medical Center at Knoxville 37920. Curated by ChEMBL					Assay Description Inhibitory constant towards reuptake of [125I]-13 from dopamine transporter in rat striatal membranes				J Med Chem 37: 1535-42 (1994) BindingDB Entry DOI: 10.7270/Q2SX6DVH
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50041604 (3-(4-Chloro-phenyl)-8-((E)-3-iodo-allyl)-8-aza-bic...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(Cl)cc1)N2C\C=C\I |TLB:19:18:4.10.9:6.7,THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C18H21ClINO2/c1-23-18(22)17-15(12-3-5-13(19)6-4-12)11-14-7-8-16(17)21(14)10-2-9-20/h2-6,9,14-17H,7-8,10-11H2,1H3/b9-2+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Inha University Curated by ChEMBL					Assay Description Inhibition of [3H]WIN-35428 binding to Dopamine transporter in rat striatal synaptic membranes				Bioorg Med Chem Lett 11: 3077-80 (2001) BindingDB Entry DOI: 10.7270/Q2H41RZP
					More data for this Ligand-Target Pair