BDBM50211014 CHEMBL396083::methyl 2-(4-tert-butylphenyl)cyclopent-1-enecarboxylate

SMILES: COC(=O)C1=C(CCC1)c1ccc(cc1)C(C)(C)C

InChI Key: InChIKey=MKGVCSJCNPSLPB-UHFFFAOYSA-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 = 50211014   

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))	BDBM50211014 (CHEMBL396083 | methyl 2-(4-tert-butylphenyl)cyclop...) Show SMILES COC(=O)C1=C(CCC1)c1ccc(cc1)C(C)(C)C |t:4| Show InChI InChI=1S/C17H22O2/c1-17(2,3)13-10-8-12(9-11-13)14-6-5-7-15(14)16(18)19-4/h8-11H,5-7H2,1-4H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.02E+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 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))	BDBM50211014 (CHEMBL396083 | methyl 2-(4-tert-butylphenyl)cyclop...) Show SMILES COC(=O)C1=C(CCC1)c1ccc(cc1)C(C)(C)C |t:4| Show InChI InChI=1S/C17H22O2/c1-17(2,3)13-10-8-12(9-11-13)14-6-5-7-15(14)16(18)19-4/h8-11H,5-7H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.89E+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 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))	BDBM50211014 (CHEMBL396083 | methyl 2-(4-tert-butylphenyl)cyclop...) Show SMILES COC(=O)C1=C(CCC1)c1ccc(cc1)C(C)(C)C |t:4| Show InChI InChI=1S/C17H22O2/c1-17(2,3)13-10-8-12(9-11-13)14-6-5-7-15(14)16(18)19-4/h8-11H,5-7H2,1-4H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.46E+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