BDBM50196228 CHEMBL217160::S-(-)-2beta-{[4-(4'-Aminophenyl)butyryl]oxymethyl}-3alpha-[bis(4-fluorophenyl) methoxy]tropane

SMILES: CN1C2CCC1[C@@H](COC(=O)CCCc1ccc(N)cc1)[C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1

InChI Key: InChIKey=LLBTYEJNVGFICG-CUCXNEOWSA-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 = 50196228   

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))	BDBM50196228 (CHEMBL217160 | S-(-)-2beta-{[4-(4'-Aminophenyl)but...) Show SMILES CN1C2CCC1[C@@H](COC(=O)CCCc1ccc(N)cc1)[C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:7:6:1:3.4,THB:23:21:1:3.4| Show InChI InChI=1S/C32H36F2N2O3/c1-36-27-17-18-29(36)28(20-38-31(37)4-2-3-21-5-15-26(35)16-6-21)30(19-27)39-32(22-7-11-24(33)12-8-22)23-9-13-25(34)14-10-23/h5-16,27-30,32H,2-4,17-20,35H2,1H3/t27?,28-,29?,30+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	27.6	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
Muscarinic acetylcholine receptor M1 (RAT)	BDBM50196228 (CHEMBL217160 | S-(-)-2beta-{[4-(4'-Aminophenyl)but...) Show SMILES CN1C2CCC1[C@@H](COC(=O)CCCc1ccc(N)cc1)[C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:7:6:1:3.4,THB:23:21:1:3.4| Show InChI InChI=1S/C32H36F2N2O3/c1-36-27-17-18-29(36)28(20-38-31(37)4-2-3-21-5-15-26(35)16-6-21)30(19-27)39-32(22-7-11-24(33)12-8-22)23-9-13-25(34)14-10-23/h5-16,27-30,32H,2-4,17-20,35H2,1H3/t27?,28-,29?,30+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	342	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
Transporter (Rattus norvegicus)	BDBM50196228 (CHEMBL217160 | S-(-)-2beta-{[4-(4'-Aminophenyl)but...) Show SMILES CN1C2CCC1[C@@H](COC(=O)CCCc1ccc(N)cc1)[C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:7:6:1:3.4,THB:23:21:1:3.4| Show InChI InChI=1S/C32H36F2N2O3/c1-36-27-17-18-29(36)28(20-38-31(37)4-2-3-21-5-15-26(35)16-6-21)30(19-27)39-32(22-7-11-24(33)12-8-22)23-9-13-25(34)14-10-23/h5-16,27-30,32H,2-4,17-20,35H2,1H3/t27?,28-,29?,30+/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	440	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))	BDBM50196228 (CHEMBL217160 | S-(-)-2beta-{[4-(4'-Aminophenyl)but...) Show SMILES CN1C2CCC1[C@@H](COC(=O)CCCc1ccc(N)cc1)[C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:7:6:1:3.4,THB:23:21:1:3.4| Show InChI InChI=1S/C32H36F2N2O3/c1-36-27-17-18-29(36)28(20-38-31(37)4-2-3-21-5-15-26(35)16-6-21)30(19-27)39-32(22-7-11-24(33)12-8-22)23-9-13-25(34)14-10-23/h5-16,27-30,32H,2-4,17-20,35H2,1H3/t27?,28-,29?,30+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.39E+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