BDBM50426195 CHEMBL2316965

SMILES: C[C@@H](O)[C@H](N)C(=O)N(C)S(=O)(=O)c1cccc(c1)-c1ccc2C(=O)NCc2c1

InChI Key: InChIKey=YRJXJNIQTBBLIO-DIFFPNOSSA-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 = 50426195   

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)	BDBM50426195 (CHEMBL2316965) Show SMILES C[C@@H](O)[C@H](N)C(=O)N(C)S(=O)(=O)c1cccc(c1)-c1ccc2C(=O)NCc2c1 |r| Show InChI InChI=1S/C19H21N3O5S/c1-11(23)17(20)19(25)22(2)28(26,27)15-5-3-4-12(9-15)13-6-7-16-14(8-13)10-21-18(16)24/h3-9,11,17,23H,10,20H2,1-2H3,(H,21,24)/t11-,17+/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))	BDBM50426195 (CHEMBL2316965) Show SMILES C[C@@H](O)[C@H](N)C(=O)N(C)S(=O)(=O)c1cccc(c1)-c1ccc2C(=O)NCc2c1 |r| Show InChI InChI=1S/C19H21N3O5S/c1-11(23)17(20)19(25)22(2)28(26,27)15-5-3-4-12(9-15)13-6-7-16-14(8-13)10-21-18(16)24/h3-9,11,17,23H,10,20H2,1-2H3,(H,21,24)/t11-,17+/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