BDBM50426192 CHEMBL2316968

SMILES: C[C@@H](O)[C@H](O)C(=O)NS(=O)(=O)\C=C\c1cccc(c1)-c1cc(N)ncn1

InChI Key: InChIKey=NEMXHHQGWFPXMC-ISPAPPPSSA-N

Data: 2 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 2 hits for monomerid = 50426192   

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
Threonine--tRNA ligase (Yersinia pestis)	BDBM50426192 (CHEMBL2316968) Show SMILES C[C@@H](O)[C@H](O)C(=O)NS(=O)(=O)\C=C\c1cccc(c1)-c1cc(N)ncn1 |r| Show InChI InChI=1S/C16H18N4O5S/c1-10(21)15(22)16(23)20-26(24,25)6-5-11-3-2-4-12(7-11)13-8-14(17)19-9-18-13/h2-10,15,21-22H,1H3,(H,20,23)(H2,17,18,19)/b6-5+/t10-,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Trius Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity to Yersinia pestis ThrRS by coupled spectrophotometry				J Med Chem 56: 1748-60 (2013) Article DOI: 10.1021/jm301756m BindingDB Entry DOI: 10.7270/Q2GQ7036
					More data for this Ligand-Target Pair
Threonyl-tRNA synthetase (Homo sapiens (Human))	BDBM50426192 (CHEMBL2316968) Show SMILES C[C@@H](O)[C@H](O)C(=O)NS(=O)(=O)\C=C\c1cccc(c1)-c1cc(N)ncn1 |r| Show InChI InChI=1S/C16H18N4O5S/c1-10(21)15(22)16(23)20-26(24,25)6-5-11-3-2-4-12(7-11)13-8-14(17)19-9-18-13/h2-10,15,21-22H,1H3,(H,20,23)(H2,17,18,19)/b6-5+/t10-,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Trius Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity to human cytoplasmic ThrRS by coupled spectrophotometry				J Med Chem 56: 1748-60 (2013) Article DOI: 10.1021/jm301756m BindingDB Entry DOI: 10.7270/Q2GQ7036
					More data for this Ligand-Target Pair