BDBM50088327 9-Benzylidene-7-aza-tricyclo[4.3.1.0*3,7*]decane-2-carboxylic acid methyl ester::CHEMBL294105

SMILES: COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccccc1

InChI Key: InChIKey=XTYJQBUILMRWGE-GZAGPRJLSA-N

Data: 9 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 9 hits for monomerid = 50088327   

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)	BDBM50088327 (9-Benzylidene-7-aza-tricyclo[4.3.1.0*3,7*]decane-2...) Show SMILES COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccccc1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7| Show InChI InChI=1S/C18H21NO2/c1-21-18(20)17-15-10-14-7-8-16(17)19(14)11-13(15)9-12-5-3-2-4-6-12/h2-6,9,14-17H,7-8,10-11H2,1H3/b13-9+/t14-,15-,16?,17-/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	53	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 reuptake of [3H]-NE at Norepinephrine transporter				J Med Chem 43: 2064-71 (2000) BindingDB Entry DOI: 10.7270/Q2GX4C8X
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50088327 (9-Benzylidene-7-aza-tricyclo[4.3.1.0*3,7*]decane-2...) Show SMILES COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccccc1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7| Show InChI InChI=1S/C18H21NO2/c1-21-18(20)17-15-10-14-7-8-16(17)19(14)11-13(15)9-12-5-3-2-4-6-12/h2-6,9,14-17H,7-8,10-11H2,1H3/b13-9+/t14-,15-,16?,17-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	68	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 Compound was evaluated for inhibition of [3H]NE uptake in HEK-hNET cells expressing Human norepinephrine transporter				J Med Chem 43: 2064-71 (2000) BindingDB Entry DOI: 10.7270/Q2GX4C8X
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50088327 (9-Benzylidene-7-aza-tricyclo[4.3.1.0*3,7*]decane-2...) Show SMILES COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccccc1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7| Show InChI InChI=1S/C18H21NO2/c1-21-18(20)17-15-10-14-7-8-16(17)19(14)11-13(15)9-12-5-3-2-4-6-12/h2-6,9,14-17H,7-8,10-11H2,1H3/b13-9+/t14-,15-,16?,17-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	481	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 reuptake of [3H]DA at Dopamine transporter (DAT)				J Med Chem 43: 2064-71 (2000) BindingDB Entry DOI: 10.7270/Q2GX4C8X
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50088327 (9-Benzylidene-7-aza-tricyclo[4.3.1.0*3,7*]decane-2...) Show SMILES COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccccc1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7| Show InChI InChI=1S/C18H21NO2/c1-21-18(20)17-15-10-14-7-8-16(17)19(14)11-13(15)9-12-5-3-2-4-6-12/h2-6,9,14-17H,7-8,10-11H2,1H3/b13-9+/t14-,15-,16?,17-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	910	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 Compound was evaluated for inhibition of [3H]DA uptake in HEK-hDAT cells expressing Human dopamine Transporter				J Med Chem 43: 2064-71 (2000) BindingDB Entry DOI: 10.7270/Q2GX4C8X
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50088327 (9-Benzylidene-7-aza-tricyclo[4.3.1.0*3,7*]decane-2...) Show SMILES COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccccc1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7| Show InChI InChI=1S/C18H21NO2/c1-21-18(20)17-15-10-14-7-8-16(17)19(14)11-13(15)9-12-5-3-2-4-6-12/h2-6,9,14-17H,7-8,10-11H2,1H3/b13-9+/t14-,15-,16?,17-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.04E+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 Compound was evaluated for binding affinity using [125I]RTI-55 as a radioligand in HEK-hNET cells expressing human norepinephrine transporter				J Med Chem 43: 2064-71 (2000) BindingDB Entry DOI: 10.7270/Q2GX4C8X
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50088327 (9-Benzylidene-7-aza-tricyclo[4.3.1.0*3,7*]decane-2...) Show SMILES COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccccc1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7| Show InChI InChI=1S/C18H21NO2/c1-21-18(20)17-15-10-14-7-8-16(17)19(14)11-13(15)9-12-5-3-2-4-6-12/h2-6,9,14-17H,7-8,10-11H2,1H3/b13-9+/t14-,15-,16?,17-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.14E+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 reuptake of [3H]5-HT at serotonin transporter				J Med Chem 43: 2064-71 (2000) BindingDB Entry DOI: 10.7270/Q2GX4C8X
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50088327 (9-Benzylidene-7-aza-tricyclo[4.3.1.0*3,7*]decane-2...) Show SMILES COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccccc1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7| Show InChI InChI=1S/C18H21NO2/c1-21-18(20)17-15-10-14-7-8-16(17)19(14)11-13(15)9-12-5-3-2-4-6-12/h2-6,9,14-17H,7-8,10-11H2,1H3/b13-9+/t14-,15-,16?,17-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.57E+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 Compound was evaluated for binding affinity to dopamine transporter using [125I]RTI-55 as a radioligand in HEK cells expressing human transporters.				J Med Chem 43: 2064-71 (2000) BindingDB Entry DOI: 10.7270/Q2GX4C8X
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50088327 (9-Benzylidene-7-aza-tricyclo[4.3.1.0*3,7*]decane-2...) Show SMILES COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccccc1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7| Show InChI InChI=1S/C18H21NO2/c1-21-18(20)17-15-10-14-7-8-16(17)19(14)11-13(15)9-12-5-3-2-4-6-12/h2-6,9,14-17H,7-8,10-11H2,1H3/b13-9+/t14-,15-,16?,17-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.33E+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 Compound was evaluated for binding affinity using [125I]RTI-55 as a radioligand in HEK-hSERT cells expressing human serotonin transporter				J Med Chem 43: 2064-71 (2000) BindingDB Entry DOI: 10.7270/Q2GX4C8X
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50088327 (9-Benzylidene-7-aza-tricyclo[4.3.1.0*3,7*]decane-2...) Show SMILES COC(=O)[C@H]1C2CC[C@@H]3C[C@@H]1\C(CN23)=C\c1ccccc1 |TLB:7:8:4.5:11.12,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7| Show InChI InChI=1S/C18H21NO2/c1-21-18(20)17-15-10-14-7-8-16(17)19(14)11-13(15)9-12-5-3-2-4-6-12/h2-6,9,14-17H,7-8,10-11H2,1H3/b13-9+/t14-,15-,16?,17-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.40E+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 Compound was evaluated for inhibition of [3H]5-HT uptake in HEK-hSERT cells expressing Human serotonin transporter				J Med Chem 43: 2064-71 (2000) BindingDB Entry DOI: 10.7270/Q2GX4C8X
					More data for this Ligand-Target Pair