BDBM50111031 Acetic acid 9-[1-thiophen-2-yl-meth-(Z)-ylidene]-7-aza-tricyclo[4.3.1.0*3,7*]dec-2-ylmethyl ester::CHEMBL367744

SMILES: CC(=O)OCC1C2CCC3CC1\C(CN23)=C\c1cccs1

InChI Key: InChIKey=MNWXKCJTGGFQHQ-KPKJPENVSA-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 = 50111031   

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
Norepinephrine Monoamine transporters (Rattus norvegicus)	BDBM50111031 (Acetic acid 9-[1-thiophen-2-yl-meth-(Z)-ylidene]-7...) Show SMILES CC(=O)OCC1C2CCC3CC1\C(CN23)=C\c1cccs1 |TLB:7:6:12.13:9.10,THB:4:5:12.13:9.10| Show InChI InChI=1S/C17H21NO2S/c1-11(19)20-10-16-15-8-13-4-5-17(16)18(13)9-12(15)7-14-3-2-6-21-14/h2-3,6-7,13,15-17H,4-5,8-10H2,1H3/b12-7+	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	283	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]-NE reuptake at Norepinephrine transporter in rat parietal/occipital cortex				Bioorg Med Chem Lett 12: 993-5 (2002) BindingDB Entry DOI: 10.7270/Q20K294R
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50111031 (Acetic acid 9-[1-thiophen-2-yl-meth-(Z)-ylidene]-7...) Show SMILES CC(=O)OCC1C2CCC3CC1\C(CN23)=C\c1cccs1 |TLB:7:6:12.13:9.10,THB:4:5:12.13:9.10| Show InChI InChI=1S/C17H21NO2S/c1-11(19)20-10-16-15-8-13-4-5-17(16)18(13)9-12(15)7-14-3-2-6-21-14/h2-3,6-7,13,15-17H,4-5,8-10H2,1H3/b12-7+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]DA reuptake at dopamine transporter in rat striatum				Bioorg Med Chem Lett 12: 993-5 (2002) BindingDB Entry DOI: 10.7270/Q20K294R
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50111031 (Acetic acid 9-[1-thiophen-2-yl-meth-(Z)-ylidene]-7...) Show SMILES CC(=O)OCC1C2CCC3CC1\C(CN23)=C\c1cccs1 |TLB:7:6:12.13:9.10,THB:4:5:12.13:9.10| Show InChI InChI=1S/C17H21NO2S/c1-11(19)20-10-16-15-8-13-4-5-17(16)18(13)9-12(15)7-14-3-2-6-21-14/h2-3,6-7,13,15-17H,4-5,8-10H2,1H3/b12-7+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.53E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT reuptake at serotonin transporter in rat mid brain				Bioorg Med Chem Lett 12: 993-5 (2002) BindingDB Entry DOI: 10.7270/Q20K294R
					More data for this Ligand-Target Pair