BDBM50111893 1-[3-(3-Chloro-4-iodo-phenyl)-8-aza-bicyclo[3.2.1]oct-2-yl]-propan-1-one::CHEMBL169117

SMILES: CCC(=O)C1C2CCC(CC1c1ccc(I)c(Cl)c1)N2

InChI Key: InChIKey=IPBBJWDRJMAEIL-UHFFFAOYSA-N

Data: 1 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 2 hits for monomerid = 50111893   

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))	BDBM50111893 (1-[3-(3-Chloro-4-iodo-phenyl)-8-aza-bicyclo[3.2.1]...) Show SMILES CCC(=O)C1C2CCC(CC1c1ccc(I)c(Cl)c1)N2 |THB:2:4:19:6.7| Show InChI InChI=1S/C16H19ClINO/c1-2-15(20)16-11(8-10-4-6-14(16)19-10)9-3-5-13(18)12(17)7-9/h3,5,7,10-11,14,16,19H,2,4,6,8H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Tested for the ability to displace [3H]- paroxetine binding in rat frontal cortex membrane against Serotonin transporter				Bioorg Med Chem Lett 12: 845-7 (2002) BindingDB Entry DOI: 10.7270/Q25M6515
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50111893 (1-[3-(3-Chloro-4-iodo-phenyl)-8-aza-bicyclo[3.2.1]...) Show SMILES CCC(=O)C1C2CCC(CC1c1ccc(I)c(Cl)c1)N2 |THB:2:4:19:6.7| Show InChI InChI=1S/C16H19ClINO/c1-2-15(20)16-11(8-10-4-6-14(16)19-10)9-3-5-13(18)12(17)7-9/h3,5,7,10-11,14,16,19H,2,4,6,8H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.0850	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Tested for the ability to displace [125I]- RTI-55 binding in rat striatal membrane against dopamine transporter				Bioorg Med Chem Lett 12: 845-7 (2002) BindingDB Entry DOI: 10.7270/Q25M6515
					More data for this Ligand-Target Pair