BDBM50211040 CHEMBL234379::methyl 2-(4-tert-butylphenyl)cycloheptanecarboxylate

SMILES: COC(=O)[C@@H]1CCCCC[C@@H]1c1ccc(cc1)C(C)(C)C

InChI Key: InChIKey=CJOTYXSOAIOWPI-IAGOWNOFSA-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 = 50211040   

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 noradrenaline transporter (Homo sapiens (Human))	BDBM50211040 (CHEMBL234379 | methyl 2-(4-tert-butylphenyl)cycloh...) Show SMILES COC(=O)[C@@H]1CCCCC[C@@H]1c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C19H28O2/c1-19(2,3)15-12-10-14(11-13-15)16-8-6-5-7-9-17(16)18(20)21-4/h10-13,16-17H,5-9H2,1-4H3/t16-,17-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.40E+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 dopamine transporter (Homo sapiens (Human))	BDBM50211040 (CHEMBL234379 | methyl 2-(4-tert-butylphenyl)cycloh...) Show SMILES COC(=O)[C@@H]1CCCCC[C@@H]1c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C19H28O2/c1-19(2,3)15-12-10-14(11-13-15)16-8-6-5-7-9-17(16)18(20)21-4/h10-13,16-17H,5-9H2,1-4H3/t16-,17-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.14E+6	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 serotonin transporter (Homo sapiens (Human))	BDBM50211040 (CHEMBL234379 | methyl 2-(4-tert-butylphenyl)cycloh...) Show SMILES COC(=O)[C@@H]1CCCCC[C@@H]1c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C19H28O2/c1-19(2,3)15-12-10-14(11-13-15)16-8-6-5-7-9-17(16)18(20)21-4/h10-13,16-17H,5-9H2,1-4H3/t16-,17-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80E+6	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