BDBM50023176 CHEMBL3298869

SMILES: OC(=O)\C=C\C(O)=O.CC(NC1CC1)C(=O)c1ccc(C)cc1

InChI Key: InChIKey=YMEOVQVIOMPXPW-WLHGVMLRSA-N

Data: 1 IC50  1 EC50

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 2 hits for monomerid = 50023176   

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))	BDBM50023176 (CHEMBL3298869) Show SMILES OC(=O)\C=C\C(O)=O.CC(NC1CC1)C(=O)c1ccc(C)cc1 Show InChI InChI=1S/C13H17NO.C4H4O4/c1-9-3-5-11(6-4-9)13(15)10(2)14-12-7-8-12;5-3(6)1-2-4(7)8/h3-6,10,12,14H,7-8H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	667	n/a	n/a	n/a	n/a
RTI International Curated by ChEMBL					Assay Description Induction of SERT-mediated serotonin release in rat synaptosomes				ACS Med Chem Lett 5: 623-7 (2014) Article DOI: 10.1021/ml500113s BindingDB Entry DOI: 10.7270/Q2FN17SS
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50023176 (CHEMBL3298869) Show SMILES OC(=O)\C=C\C(O)=O.CC(NC1CC1)C(=O)c1ccc(C)cc1 Show InChI InChI=1S/C13H17NO.C4H4O4/c1-9-3-5-11(6-4-9)13(15)10(2)14-12-7-8-12;5-3(6)1-2-4(7)8/h3-6,10,12,14H,7-8H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
RTI International Curated by ChEMBL					Assay Description Inhibition of DAT-mediated dopamine uptake in rat synaptosomes				ACS Med Chem Lett 5: 623-7 (2014) Article DOI: 10.1021/ml500113s BindingDB Entry DOI: 10.7270/Q2FN17SS
					More data for this Ligand-Target Pair