BDBM85740 Dysiherbaine

SMILES: CN[C@H]1[C@H]2O[C@](C[C@H](N)C(O)=O)(C[C@H]2OC[C@H]1O)C(O)=O

InChI Key: InChIKey=YUSZFKPLFIQTGF-FDNSHYBFSA-N

Data: 5 KI

PDB links: 3 PDB IDs match 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 5 hits for monomerid = 85740   

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
GRIK1 (Homo sapiens (Human))	BDBM85740 (Dysiherbaine) Show SMILES CN[C@H]1[C@H]2O[C@](C[C@H](N)C(O)=O)(C[C@H]2OC[C@H]1O)C(O)=O Show InChI InChI=1S/C12H20N2O7/c1-14-8-6(15)4-20-7-3-12(11(18)19,21-9(7)8)2-5(13)10(16)17/h5-9,14-15H,2-4,13H2,1H3,(H,16,17)(H,18,19)/t5-,6+,7+,8+,9-,12+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	0.740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yokohama City University Curated by ChEMBL					Assay Description Displacement of [3H]kianic acid from recombinant GluK1 kainate receptor (unknown origin) expressed in HEK293 cell membranes measured after 1 hr				Bioorg Med Chem Lett 26: 5164-5167 (2016) Article DOI: 10.1016/j.bmcl.2016.09.074 BindingDB Entry DOI: 10.7270/Q2ZG6V6F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate receptor ionotropic, kainate 2 (Homo sapiens (Human))	BDBM85740 (Dysiherbaine) Show SMILES CN[C@H]1[C@H]2O[C@](C[C@H](N)C(O)=O)(C[C@H]2OC[C@H]1O)C(O)=O Show InChI InChI=1S/C12H20N2O7/c1-14-8-6(15)4-20-7-3-12(11(18)19,21-9(7)8)2-5(13)10(16)17/h5-9,14-15H,2-4,13H2,1H3,(H,16,17)(H,18,19)/t5-,6+,7+,8+,9-,12+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yokohama City University Curated by ChEMBL					Assay Description Displacement of [3H]kianic acid from recombinant GluK2 kainate receptor (unknown origin) expressed in HEK293 cell membranes measured after 1 hr				Bioorg Med Chem Lett 26: 5164-5167 (2016) Article DOI: 10.1016/j.bmcl.2016.09.074 BindingDB Entry DOI: 10.7270/Q2ZG6V6F
					More data for this Ligand-Target Pair
GRIA3 (RAT)	BDBM85740 (Dysiherbaine) Show SMILES CN[C@H]1[C@H]2O[C@](C[C@H](N)C(O)=O)(C[C@H]2OC[C@H]1O)C(O)=O Show InChI InChI=1S/C12H20N2O7/c1-14-8-6(15)4-20-7-3-12(11(18)19,21-9(7)8)2-5(13)10(16)17/h5-9,14-15H,2-4,13H2,1H3,(H,16,17)(H,18,19)/t5-,6+,7+,8+,9-,12+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents	PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by PDSP Ki Database									J Pharmacol Exp Ther 296: 650-8 (2001) BindingDB Entry DOI: 10.7270/Q2M0440C
					More data for this Ligand-Target Pair
GRIA3 (RAT)	BDBM85740 (Dysiherbaine) Show SMILES CN[C@H]1[C@H]2O[C@](C[C@H](N)C(O)=O)(C[C@H]2OC[C@H]1O)C(O)=O Show InChI InChI=1S/C12H20N2O7/c1-14-8-6(15)4-20-7-3-12(11(18)19,21-9(7)8)2-5(13)10(16)17/h5-9,14-15H,2-4,13H2,1H3,(H,16,17)(H,18,19)/t5-,6+,7+,8+,9-,12+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents	PubMed	153	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by PDSP Ki Database									J Pharmacol Exp Ther 296: 650-8 (2001) BindingDB Entry DOI: 10.7270/Q2M0440C
					More data for this Ligand-Target Pair
GRIA3 (RAT)	BDBM85740 (Dysiherbaine) Show SMILES CN[C@H]1[C@H]2O[C@](C[C@H](N)C(O)=O)(C[C@H]2OC[C@H]1O)C(O)=O Show InChI InChI=1S/C12H20N2O7/c1-14-8-6(15)4-20-7-3-12(11(18)19,21-9(7)8)2-5(13)10(16)17/h5-9,14-15H,2-4,13H2,1H3,(H,16,17)(H,18,19)/t5-,6+,7+,8+,9-,12+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kitasato University Curated by PDSP Ki Database									J Pharmacol Exp Ther 296: 650-8 (2001) BindingDB Entry DOI: 10.7270/Q2M0440C
					More data for this Ligand-Target Pair