BDBM50111030 9-[1-Thiophen-2-yl-meth-(Z)-ylidene]-7-aza-tricyclo[4.3.1.0*3,7*]decane-2-carboxylic acid isopropyl ester::CHEMBL174854

SMILES: CC(C)OC(=O)C1C2CCC3CC1\C(CN23)=C\c1cccs1

InChI Key: InChIKey=QKGBOUVISUKPLV-XYOKQWHBSA-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 = 50111030   

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)	BDBM50111030 (9-[1-Thiophen-2-yl-meth-(Z)-ylidene]-7-aza-tricycl...) Show SMILES CC(C)OC(=O)C1C2CCC3CC1\C(CN23)=C\c1cccs1 |TLB:4:6:15:8.9,4:6:13.14:10.11,8:7:13.14:10.11,THB:13:12:15:8.9,14:15:6.12.11:8.9| Show InChI InChI=1S/C18H23NO2S/c1-11(2)21-18(20)17-15-9-13-5-6-16(17)19(13)10-12(15)8-14-4-3-7-22-14/h3-4,7-8,11,13,15-17H,5-6,9-10H2,1-2H3/b12-8+	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	52	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))	BDBM50111030 (9-[1-Thiophen-2-yl-meth-(Z)-ylidene]-7-aza-tricycl...) Show SMILES CC(C)OC(=O)C1C2CCC3CC1\C(CN23)=C\c1cccs1 |TLB:4:6:15:8.9,4:6:13.14:10.11,8:7:13.14:10.11,THB:13:12:15:8.9,14:15:6.12.11:8.9| Show InChI InChI=1S/C18H23NO2S/c1-11(2)21-18(20)17-15-9-13-5-6-16(17)19(13)10-12(15)8-14-4-3-7-22-14/h3-4,7-8,11,13,15-17H,5-6,9-10H2,1-2H3/b12-8+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	428	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))	BDBM50111030 (9-[1-Thiophen-2-yl-meth-(Z)-ylidene]-7-aza-tricycl...) Show SMILES CC(C)OC(=O)C1C2CCC3CC1\C(CN23)=C\c1cccs1 |TLB:4:6:15:8.9,4:6:13.14:10.11,8:7:13.14:10.11,THB:13:12:15:8.9,14:15:6.12.11:8.9| Show InChI InChI=1S/C18H23NO2S/c1-11(2)21-18(20)17-15-9-13-5-6-16(17)19(13)10-12(15)8-14-4-3-7-22-14/h3-4,7-8,11,13,15-17H,5-6,9-10H2,1-2H3/b12-8+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.15E+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