BDBM50085069 3-(4-Chloro-phenyl)-6-methyl-6-aza-bicyclo[3.2.2]nonane-4-carboxylic acid isopropyl ester::CHEMBL345689

SMILES: CC(C)OC(=O)C1C2CCC(CN2C)C[C@@H]1c1ccc(Cl)cc1

InChI Key: InChIKey=NRQIOYJXOKSZCR-MFWMIFASSA-N

Data: 2 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 2 hits for monomerid = 50085069   

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 (Homo sapiens (Human))	BDBM50085069 (3-(4-Chloro-phenyl)-6-methyl-6-aza-bicyclo[3.2.2]n...) Show SMILES CC(C)OC(=O)C1C2CCC(CN2C)C[C@@H]1c1ccc(Cl)cc1 |TLB:13:12:6.15.14:8.9,THB:4:6:12.11:8.9,16:15:12.11:8.9| Show InChI InChI=1S/C19H26ClNO2/c1-12(2)23-19(22)18-16(14-5-7-15(20)8-6-14)10-13-4-9-17(18)21(3)11-13/h5-8,12-13,16-18H,4,9-11H2,1-3H3/t13?,16-,17?,18?/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition constant against [N-methyl-3H]-WIN 35428 in murine kidney cells transfected with human dopamine transporter.				J Med Chem 43: 639-48 (2000) BindingDB Entry DOI: 10.7270/Q27S7N07
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50085069 (3-(4-Chloro-phenyl)-6-methyl-6-aza-bicyclo[3.2.2]n...) Show SMILES CC(C)OC(=O)C1C2CCC(CN2C)C[C@@H]1c1ccc(Cl)cc1 |TLB:13:12:6.15.14:8.9,THB:4:6:12.11:8.9,16:15:12.11:8.9| Show InChI InChI=1S/C19H26ClNO2/c1-12(2)23-19(22)18-16(14-5-7-15(20)8-6-14)10-13-4-9-17(18)21(3)11-13/h5-8,12-13,16-18H,4,9-11H2,1-3H3/t13?,16-,17?,18?/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	427	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Inhibition constant against [3H]-citalopram in murine kidney cells transfected with human serotonin transporter.				J Med Chem 43: 639-48 (2000) BindingDB Entry DOI: 10.7270/Q27S7N07
					More data for this Ligand-Target Pair