BDBM50291007 (3S,5R)-methyl 3-(4-iodophenyl)-8-(8-(1,3-dioxoisoindolin-2-yl)octyl)-8-aza-bicyclo[3.2.1]octane-2-carboxylate::CHEMBL423692

SMILES: COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCCCCCCCN1C(=O)c2ccccc2C1=O

InChI Key: InChIKey=IYRIGBGSVCDBII-UHFFFAOYSA-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 = 50291007   

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))	BDBM50291007 ((3S,5R)-methyl 3-(4-iodophenyl)-8-(8-(1,3-dioxoiso...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCCCCCCCN1C(=O)c2ccccc2C1=O |THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C31H37IN2O4/c1-38-31(37)28-26(21-12-14-22(32)15-13-21)20-23-16-17-27(28)33(23)18-8-4-2-3-5-9-19-34-29(35)24-10-6-7-11-25(24)30(34)36/h6-7,10-15,23,26-28H,2-5,8-9,16-20H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity of compound for Serotonin transporter with [3H]- paroxetine as radioligand in corpus striatum tissue from rat forebrain				Bioorg Med Chem Lett 7: 337-340 (1997) Article DOI: 10.1016/S0960-894X(97)00009-7 BindingDB Entry DOI: 10.7270/Q2T72HGQ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50291007 ((3S,5R)-methyl 3-(4-iodophenyl)-8-(8-(1,3-dioxoiso...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCCCCCCCN1C(=O)c2ccccc2C1=O |THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C31H37IN2O4/c1-38-31(37)28-26(21-12-14-22(32)15-13-21)20-23-16-17-27(28)33(23)18-8-4-2-3-5-9-19-34-29(35)24-10-6-7-11-25(24)30(34)36/h6-7,10-15,23,26-28H,2-5,8-9,16-20H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity of compound for Dopamine transporter with [3H]- GBR-12935 as radioligand in corpus striatum tissue from rat forebrain				Bioorg Med Chem Lett 7: 337-340 (1997) Article DOI: 10.1016/S0960-894X(97)00009-7 BindingDB Entry DOI: 10.7270/Q2T72HGQ
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus)	BDBM50291007 ((3S,5R)-methyl 3-(4-iodophenyl)-8-(8-(1,3-dioxoiso...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCCCCCCCN1C(=O)c2ccccc2C1=O |THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C31H37IN2O4/c1-38-31(37)28-26(21-12-14-22(32)15-13-21)20-23-16-17-27(28)33(23)18-8-4-2-3-5-9-19-34-29(35)24-10-6-7-11-25(24)30(34)36/h6-7,10-15,23,26-28H,2-5,8-9,16-20H2,1H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity of compound for Norepinephrine (NE) transporter with [3H]- nisoxatine as radioligand in corpus striatum tissue from rat for...				Bioorg Med Chem Lett 7: 337-340 (1997) Article DOI: 10.1016/S0960-894X(97)00009-7 BindingDB Entry DOI: 10.7270/Q2T72HGQ
					More data for this Ligand-Target Pair