BDBM50112274 Acetic acid 9-naphthalen-2-ylmethylene-7-aza-tricyclo[4.3.1.0*3,7*]dec-2-ylmethyl ester::CHEMBL58253

SMILES: CC(=O)OCC1C2CCC3CC1\C(CN23)=C\c1ccc2ccccc2c1

InChI Key: InChIKey=AUASRRWSKHUBGZ-YBFXNURJSA-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 = 50112274   

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 serotonin transporter (Rattus norvegicus (rat))	BDBM50112274 (Acetic acid 9-naphthalen-2-ylmethylene-7-aza-tricy...) Show SMILES CC(=O)OCC1C2CCC3CC1\C(CN23)=C\c1ccc2ccccc2c1 |TLB:7:6:12.13:9.10,THB:4:5:12.13:9.10| Show InChI InChI=1S/C23H25NO2/c1-15(25)26-14-22-21-12-20-8-9-23(22)24(20)13-19(21)11-16-6-7-17-4-2-3-5-18(17)10-16/h2-7,10-11,20-23H,8-9,12-14H2,1H3/b19-11+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.40	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 high affinity re-uptake of [3H]5-HT (serotonin) into nerve ending synaptosomes				J Med Chem 45: 1930-41 (2002) BindingDB Entry DOI: 10.7270/Q2M32WHG
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50112274 (Acetic acid 9-naphthalen-2-ylmethylene-7-aza-tricy...) Show SMILES CC(=O)OCC1C2CCC3CC1\C(CN23)=C\c1ccc2ccccc2c1 |TLB:7:6:12.13:9.10,THB:4:5:12.13:9.10| Show InChI InChI=1S/C23H25NO2/c1-15(25)26-14-22-21-12-20-8-9-23(22)24(20)13-19(21)11-16-6-7-17-4-2-3-5-18(17)10-16/h2-7,10-11,20-23H,8-9,12-14H2,1H3/b19-11+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	652	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 Ability to inhibit high affinity reuptake of [3H]DA from dopamine transporter into nerve endings synaptosomes				J Med Chem 45: 1930-41 (2002) BindingDB Entry DOI: 10.7270/Q2M32WHG
					More data for this Ligand-Target Pair
Norepinephrine Monoamine transporters (Rattus norvegicus)	BDBM50112274 (Acetic acid 9-naphthalen-2-ylmethylene-7-aza-tricy...) Show SMILES CC(=O)OCC1C2CCC3CC1\C(CN23)=C\c1ccc2ccccc2c1 |TLB:7:6:12.13:9.10,THB:4:5:12.13:9.10| Show InChI InChI=1S/C23H25NO2/c1-15(25)26-14-22-21-12-20-8-9-23(22)24(20)13-19(21)11-16-6-7-17-4-2-3-5-18(17)10-16/h2-7,10-11,20-23H,8-9,12-14H2,1H3/b19-11+	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	672	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 Ability to inhibit high affinity reuptake of [3H]-NE (Norepinephrine transporter) into nerve ending synaptosomes prepared from brain regions				J Med Chem 45: 1930-41 (2002) BindingDB Entry DOI: 10.7270/Q2M32WHG
					More data for this Ligand-Target Pair