BDBM50196230 CHEMBL217456::S-(+)-N-butyl-2beta-carboethoxy-3alpha-[bis(4-fluorophenyl)methoxy]-tropane

SMILES: CCCCN1C2CCC1[C@H]([C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)OCC

InChI Key: InChIKey=BBKLIXXXQRYDQK-ZOOXZOTBSA-N

Data: 4 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 4 hits for monomerid = 50196230   

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))	BDBM50196230 (CHEMBL217456 | S-(+)-N-butyl-2beta-carboethoxy-3al...) Show SMILES CCCCN1C2CCC1[C@H]([C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)OCC |TLB:28:9:4:6.7,THB:12:10:4:6.7| Show InChI InChI=1S/C27H33F2NO3/c1-3-5-16-30-22-14-15-23(30)25(27(31)32-4-2)24(17-22)33-26(18-6-10-20(28)11-7-18)19-8-12-21(29)13-9-19/h6-13,22-26H,3-5,14-17H2,1-2H3/t22?,23?,24-,25+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from DAT in Sprague-Dawley rat brain				J Med Chem 49: 6391-9 (2006) Article DOI: 10.1021/jm060762q BindingDB Entry DOI: 10.7270/Q2WD41D4
					More data for this Ligand-Target Pair
Norepinephrine Monoamine transporters (Rattus norvegicus)	BDBM50196230 (CHEMBL217456 | S-(+)-N-butyl-2beta-carboethoxy-3al...) Show SMILES CCCCN1C2CCC1[C@H]([C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)OCC |TLB:28:9:4:6.7,THB:12:10:4:6.7| Show InChI InChI=1S/C27H33F2NO3/c1-3-5-16-30-22-14-15-23(30)25(27(31)32-4-2)24(17-22)33-26(18-6-10-20(28)11-7-18)19-8-12-21(29)13-9-19/h6-13,22-26H,3-5,14-17H2,1-2H3/t22?,23?,24-,25+/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from NET in Sprague-Dawley rat brain				J Med Chem 49: 6391-9 (2006) Article DOI: 10.1021/jm060762q BindingDB Entry DOI: 10.7270/Q2WD41D4
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50196230 (CHEMBL217456 | S-(+)-N-butyl-2beta-carboethoxy-3al...) Show SMILES CCCCN1C2CCC1[C@H]([C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)OCC |TLB:28:9:4:6.7,THB:12:10:4:6.7| Show InChI InChI=1S/C27H33F2NO3/c1-3-5-16-30-22-14-15-23(30)25(27(31)32-4-2)24(17-22)33-26(18-6-10-20(28)11-7-18)19-8-12-21(29)13-9-19/h6-13,22-26H,3-5,14-17H2,1-2H3/t22?,23?,24-,25+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from SERT in Sprague-Dawley rat brain				J Med Chem 49: 6391-9 (2006) Article DOI: 10.1021/jm060762q BindingDB Entry DOI: 10.7270/Q2WD41D4
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50196230 (CHEMBL217456 | S-(+)-N-butyl-2beta-carboethoxy-3al...) Show SMILES CCCCN1C2CCC1[C@H]([C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)OCC |TLB:28:9:4:6.7,THB:12:10:4:6.7| Show InChI InChI=1S/C27H33F2NO3/c1-3-5-16-30-22-14-15-23(30)25(27(31)32-4-2)24(17-22)33-26(18-6-10-20(28)11-7-18)19-8-12-21(29)13-9-19/h6-13,22-26H,3-5,14-17H2,1-2H3/t22?,23?,24-,25+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]pirenzepine from M1 receptor in Sprague-Dawley rat brain				J Med Chem 49: 6391-9 (2006) Article DOI: 10.1021/jm060762q BindingDB Entry DOI: 10.7270/Q2WD41D4
					More data for this Ligand-Target Pair