BDBM50211019 CHEMBL233088::methyl 2-(3,4-dichlorophenyl)cyclohept-1-enecarboxylate

SMILES: COC(=O)C1=C(CCCCC1)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=JCGZOWXIYHYCOD-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50211019   

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 (Homo sapiens (Human))	BDBM50211019 (CHEMBL233088 | methyl 2-(3,4-dichlorophenyl)cycloh...) Show SMILES COC(=O)C1=C(CCCCC1)c1ccc(Cl)c(Cl)c1 |t:4| Show InChI InChI=1S/C15H16Cl2O2/c1-19-15(18)12-6-4-2-3-5-11(12)10-7-8-13(16)14(17)9-10/h7-9H,2-6H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	515	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Aarhus Curated by ChEMBL					Assay Description Inhibition of [3H]DA uptake in human DAT expressed in COS1 cell membrane				Bioorg Med Chem 15: 4159-74 (2007) Article DOI: 10.1016/j.bmc.2007.03.069 BindingDB Entry DOI: 10.7270/Q2ZC83PB
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50211019 (CHEMBL233088 | methyl 2-(3,4-dichlorophenyl)cycloh...) Show SMILES COC(=O)C1=C(CCCCC1)c1ccc(Cl)c(Cl)c1 |t:4| Show InChI InChI=1S/C15H16Cl2O2/c1-19-15(18)12-6-4-2-3-5-11(12)10-7-8-13(16)14(17)9-10/h7-9H,2-6H2,1H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.36E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Aarhus Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human DAT expressed in COS1 cell membrane				Bioorg Med Chem 15: 4159-74 (2007) Article DOI: 10.1016/j.bmc.2007.03.069 BindingDB Entry DOI: 10.7270/Q2ZC83PB
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50211019 (CHEMBL233088 | methyl 2-(3,4-dichlorophenyl)cycloh...) Show SMILES COC(=O)C1=C(CCCCC1)c1ccc(Cl)c(Cl)c1 |t:4| Show InChI InChI=1S/C15H16Cl2O2/c1-19-15(18)12-6-4-2-3-5-11(12)10-7-8-13(16)14(17)9-10/h7-9H,2-6H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.72E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Aarhus Curated by ChEMBL					Assay Description Inhibition of [3H]DA uptake in human NET expressed in COS1 cell membrane				Bioorg Med Chem 15: 4159-74 (2007) Article DOI: 10.1016/j.bmc.2007.03.069 BindingDB Entry DOI: 10.7270/Q2ZC83PB
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50211019 (CHEMBL233088 | methyl 2-(3,4-dichlorophenyl)cycloh...) Show SMILES COC(=O)C1=C(CCCCC1)c1ccc(Cl)c(Cl)c1 |t:4| Show InChI InChI=1S/C15H16Cl2O2/c1-19-15(18)12-6-4-2-3-5-11(12)10-7-8-13(16)14(17)9-10/h7-9H,2-6H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Aarhus Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human NET expressed in COS1 cell membrane				Bioorg Med Chem 15: 4159-74 (2007) Article DOI: 10.1016/j.bmc.2007.03.069 BindingDB Entry DOI: 10.7270/Q2ZC83PB
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50211019 (CHEMBL233088 | methyl 2-(3,4-dichlorophenyl)cycloh...) Show SMILES COC(=O)C1=C(CCCCC1)c1ccc(Cl)c(Cl)c1 |t:4| Show InChI InChI=1S/C15H16Cl2O2/c1-19-15(18)12-6-4-2-3-5-11(12)10-7-8-13(16)14(17)9-10/h7-9H,2-6H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.49E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Aarhus Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human SERT expressed in COS1 cell membrane				Bioorg Med Chem 15: 4159-74 (2007) Article DOI: 10.1016/j.bmc.2007.03.069 BindingDB Entry DOI: 10.7270/Q2ZC83PB
					More data for this Ligand-Target Pair