BDBM50349980 CHEMBL1738726

SMILES: N[C@@H](Cn1c2cscc2c(=O)n(Cc2ccsc2C(O)=O)c1=O)C(O)=O

InChI Key: InChIKey=LSNSPQPOGKSTHQ-VIFPVBQESA-N

Data: 4 KI

PDB links: 1 PDB ID matches this monomer.

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 = 50349980   

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
Glutamate receptor ionotropic, kainate 1 (RAT)	BDBM50349980 (CHEMBL1738726) Show SMILES N[C@@H](Cn1c2cscc2c(=O)n(Cc2ccsc2C(O)=O)c1=O)C(O)=O |r| Show InChI InChI=1S/C15H13N3O6S2/c16-9(13(20)21)4-17-10-6-25-5-8(10)12(19)18(15(17)24)3-7-1-2-26-11(7)14(22)23/h1-2,5-6,9H,3-4,16H2,(H,20,21)(H,22,23)/t9-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	157	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]SYM2081 from rat GluK1 expressed in Sf9 cells				J Med Chem 54: 4793-805 (2011) Article DOI: 10.1021/jm2004078 BindingDB Entry DOI: 10.7270/Q2RR1ZM2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate receptor ionotropic, kainate (Rattus norvegicus)	BDBM50349980 (CHEMBL1738726) Show SMILES N[C@@H](Cn1c2cscc2c(=O)n(Cc2ccsc2C(O)=O)c1=O)C(O)=O |r| Show InChI InChI=1S/C15H13N3O6S2/c16-9(13(20)21)4-17-10-6-25-5-8(10)12(19)18(15(17)24)3-7-1-2-26-11(7)14(22)23/h1-2,5-6,9H,3-4,16H2,(H,20,21)(H,22,23)/t9-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	7.45E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]SYM2081 from rat GluK3 expressed in Sf9 cells				J Med Chem 54: 4793-805 (2011) Article DOI: 10.1021/jm2004078 BindingDB Entry DOI: 10.7270/Q2RR1ZM2
					More data for this Ligand-Target Pair
Glutamate receptor ionotropic, AMPA 2 (Rattus norvegicus)	BDBM50349980 (CHEMBL1738726) Show SMILES N[C@@H](Cn1c2cscc2c(=O)n(Cc2ccsc2C(O)=O)c1=O)C(O)=O |r| Show InChI InChI=1S/C15H13N3O6S2/c16-9(13(20)21)4-17-10-6-25-5-8(10)12(19)18(15(17)24)3-7-1-2-26-11(7)14(22)23/h1-2,5-6,9H,3-4,16H2,(H,20,21)(H,22,23)/t9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	7.29E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]AMPA from rat GluA2 expressed in Sf9 cells				J Med Chem 54: 4793-805 (2011) Article DOI: 10.1021/jm2004078 BindingDB Entry DOI: 10.7270/Q2RR1ZM2
					More data for this Ligand-Target Pair
Ionotropic glutamate receptor kainate 2/5 (Rattus norvegicus)	BDBM50349980 (CHEMBL1738726) Show SMILES N[C@@H](Cn1c2cscc2c(=O)n(Cc2ccsc2C(O)=O)c1=O)C(O)=O |r| Show InChI InChI=1S/C15H13N3O6S2/c16-9(13(20)21)4-17-10-6-25-5-8(10)12(19)18(15(17)24)3-7-1-2-26-11(7)14(22)23/h1-2,5-6,9H,3-4,16H2,(H,20,21)(H,22,23)/t9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	9.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]SYM2081 from rat GluK2 expressed in Sf9 cells				J Med Chem 54: 4793-805 (2011) Article DOI: 10.1021/jm2004078 BindingDB Entry DOI: 10.7270/Q2RR1ZM2
					More data for this Ligand-Target Pair				3D Structure (crystal)