BDBM50196222 CHEMBL413927::S-(+)-2beta-(2'-(methoxycarbonyl)eth-1'-enyl)-3alpha-[bis(4-fluorophenyl)methoxy] tropane

SMILES: COC(=O)\C=C\[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C

InChI Key: InChIKey=DGPKJAKNLKTHID-BUSSNFNCSA-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 = 50196222   

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))	BDBM50196222 (CHEMBL413927 | S-(+)-2beta-(2'-(methoxycarbonyl)et...) Show SMILES COC(=O)\C=C\[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:13:12:29:9.8,THB:5:6:29:9.8| Show InChI InChI=1S/C25H27F2NO3/c1-28-20-11-13-22(28)21(12-14-24(29)30-2)23(15-20)31-25(16-3-7-18(26)8-4-16)17-5-9-19(27)10-6-17/h3-10,12,14,20-23,25H,11,13,15H2,1-2H3/b14-12+/t20?,21-,22?,23+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	4.69	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
Transporter (Rattus norvegicus)	BDBM50196222 (CHEMBL413927 | S-(+)-2beta-(2'-(methoxycarbonyl)et...) Show SMILES COC(=O)\C=C\[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:13:12:29:9.8,THB:5:6:29:9.8| Show InChI InChI=1S/C25H27F2NO3/c1-28-20-11-13-22(28)21(12-14-24(29)30-2)23(15-20)31-25(16-3-7-18(26)8-4-16)17-5-9-19(27)10-6-17/h3-10,12,14,20-23,25H,11,13,15H2,1-2H3/b14-12+/t20?,21-,22?,23+/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	269	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))	BDBM50196222 (CHEMBL413927 | S-(+)-2beta-(2'-(methoxycarbonyl)et...) Show SMILES COC(=O)\C=C\[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:13:12:29:9.8,THB:5:6:29:9.8| Show InChI InChI=1S/C25H27F2NO3/c1-28-20-11-13-22(28)21(12-14-24(29)30-2)23(15-20)31-25(16-3-7-18(26)8-4-16)17-5-9-19(27)10-6-17/h3-10,12,14,20-23,25H,11,13,15H2,1-2H3/b14-12+/t20?,21-,22?,23+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	572	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)	BDBM50196222 (CHEMBL413927 | S-(+)-2beta-(2'-(methoxycarbonyl)et...) Show SMILES COC(=O)\C=C\[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:13:12:29:9.8,THB:5:6:29:9.8| Show InChI InChI=1S/C25H27F2NO3/c1-28-20-11-13-22(28)21(12-14-24(29)30-2)23(15-20)31-25(16-3-7-18(26)8-4-16)17-5-9-19(27)10-6-17/h3-10,12,14,20-23,25H,11,13,15H2,1-2H3/b14-12+/t20?,21-,22?,23+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.38E+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