BDBM50401545 CHEMBL2207078

SMILES: COc1ccc2c(cc(=O)oc2c1)C1C(C#N)C(=N)OC2=C1C(=O)CC(C2)c1ccccc1

InChI Key: InChIKey=KZSRVNDFJQFMNU-UHFFFAOYSA-N

Data: 4 IC50

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 4 hits for monomerid = 50401545   

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
Excitatory amino acid transporter 1 (Homo sapiens (Human))	BDBM50401545 (CHEMBL2207078) Show SMILES COc1ccc2c(cc(=O)oc2c1)C1C(C#N)C(=N)OC2=C1C(=O)CC(C2)c1ccccc1 |c:22| Show InChI InChI=1S/C26H20N2O5/c1-31-16-7-8-17-18(12-23(30)32-21(17)11-16)24-19(13-27)26(28)33-22-10-15(9-20(29)25(22)24)14-5-3-2-4-6-14/h2-8,11-12,15,19,24,28H,9-10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.16E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of [3H]-D-aspartate uptake at human EAAT1 expressed in HEK293 cells after 6 mins by scintillation counting				Bioorg Med Chem 20: 6831-9 (2012) Article DOI: 10.1016/j.bmc.2012.09.049 BindingDB Entry DOI: 10.7270/Q25B03PT
					More data for this Ligand-Target Pair
Excitatory amino acid transporter 1 (Homo sapiens (Human))	BDBM50401545 (CHEMBL2207078) Show SMILES COc1ccc2c(cc(=O)oc2c1)C1C(C#N)C(=N)OC2=C1C(=O)CC(C2)c1ccccc1 |c:22| Show InChI InChI=1S/C26H20N2O5/c1-31-16-7-8-17-18(12-23(30)32-21(17)11-16)24-19(13-27)26(28)33-22-10-15(9-20(29)25(22)24)14-5-3-2-4-6-14/h2-8,11-12,15,19,24,28H,9-10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of [3H]-D-aspartate uptake at human EAAT1 expressed in HEK293 cells after 6 mins by scintillation counting				Bioorg Med Chem 20: 6831-9 (2012) Article DOI: 10.1016/j.bmc.2012.09.049 BindingDB Entry DOI: 10.7270/Q25B03PT
					More data for this Ligand-Target Pair
Excitatory amino acid transporter 2 (Homo sapiens (Human))	BDBM50401545 (CHEMBL2207078) Show SMILES COc1ccc2c(cc(=O)oc2c1)C1C(C#N)C(=N)OC2=C1C(=O)CC(C2)c1ccccc1 |c:22| Show InChI InChI=1S/C26H20N2O5/c1-31-16-7-8-17-18(12-23(30)32-21(17)11-16)24-19(13-27)26(28)33-22-10-15(9-20(29)25(22)24)14-5-3-2-4-6-14/h2-8,11-12,15,19,24,28H,9-10H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of [3H]-D-aspartate uptake at human EAAT2 expressed in HEK293 cells after 6 mins by scintillation counting				Bioorg Med Chem 20: 6831-9 (2012) Article DOI: 10.1016/j.bmc.2012.09.049 BindingDB Entry DOI: 10.7270/Q25B03PT
					More data for this Ligand-Target Pair
Excitatory amino acid transporter 3 (Homo sapiens (Human))	BDBM50401545 (CHEMBL2207078) Show SMILES COc1ccc2c(cc(=O)oc2c1)C1C(C#N)C(=N)OC2=C1C(=O)CC(C2)c1ccccc1 |c:22| Show InChI InChI=1S/C26H20N2O5/c1-31-16-7-8-17-18(12-23(30)32-21(17)11-16)24-19(13-27)26(28)33-22-10-15(9-20(29)25(22)24)14-5-3-2-4-6-14/h2-8,11-12,15,19,24,28H,9-10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of [3H]-D-aspartate uptake at human EAAT3 expressed in HEK293 cells after 6 mins by scintillation counting				Bioorg Med Chem 20: 6831-9 (2012) Article DOI: 10.1016/j.bmc.2012.09.049 BindingDB Entry DOI: 10.7270/Q25B03PT
					More data for this Ligand-Target Pair