BDBM50075065 ((S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid (2R,3S,4R,5R)-3,4-dihydroxy-5-{4-[2-(4-phenoxy-phenyl)-ethyl]-thiazol-2-yl}-tetrahydro-furan-2-ylmethyl ester::CHEMBL126515

SMILES: CCC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(CCc2ccc(Oc3ccccc3)cc2)cs1

InChI Key: InChIKey=WAXQESJXPPKIIV-BCDOYYGVSA-N

Data: 3 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 3 hits for monomerid = 50075065   

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
Isoleucyl-tRNA synthetase (Homo sapiens (Human))	BDBM50075065 (((S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid (2R...) Show SMILES CCC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(CCc2ccc(Oc3ccccc3)cc2)cs1 Show InChI InChI=1S/C28H35N3O8S2/c1-3-17(2)23(29)27(34)31-41(35,36)37-15-22-24(32)25(33)26(39-22)28-30-19(16-40-28)12-9-18-10-13-21(14-11-18)38-20-7-5-4-6-8-20/h4-8,10-11,13-14,16-17,22-26,32-33H,3,9,12,15,29H2,1-2H3,(H,31,34)/t17?,22-,23+,24-,25-,26-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Compound tested for the inhibition of human isoleucyl-tRNA synthetase				Bioorg Med Chem Lett 9: 375-80 (1999) BindingDB Entry DOI: 10.7270/Q2M32TX1
					More data for this Ligand-Target Pair
Isoleucyl-tRNA synthetase (Homo sapiens (Human))	BDBM50075065 (((S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid (2R...) Show SMILES CCC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(CCc2ccc(Oc3ccccc3)cc2)cs1 Show InChI InChI=1S/C28H35N3O8S2/c1-3-17(2)23(29)27(34)31-41(35,36)37-15-22-24(32)25(33)26(39-22)28-30-19(16-40-28)12-9-18-10-13-21(14-11-18)38-20-7-5-4-6-8-20/h4-8,10-11,13-14,16-17,22-26,32-33H,3,9,12,15,29H2,1-2H3,(H,31,34)/t17?,22-,23+,24-,25-,26-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli isoleucyl-tRNA synthetase				Bioorg Med Chem Lett 9: 375-80 (1999) BindingDB Entry DOI: 10.7270/Q2M32TX1
					More data for this Ligand-Target Pair
Isoleucyl-tRNA synthetase (Staphylococcus aureus)	BDBM50075065 (((S)-2-Amino-3-methyl-pentanoyl)-sulfamic acid (2R...) Show SMILES CCC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)c1nc(CCc2ccc(Oc3ccccc3)cc2)cs1 Show InChI InChI=1S/C28H35N3O8S2/c1-3-17(2)23(29)27(34)31-41(35,36)37-15-22-24(32)25(33)26(39-22)28-30-19(16-40-28)12-9-18-10-13-21(14-11-18)38-20-7-5-4-6-8-20/h4-8,10-11,13-14,16-17,22-26,32-33H,3,9,12,15,29H2,1-2H3,(H,31,34)/t17?,22-,23+,24-,25-,26-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Cubist Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Compound tested for the inhibition of S. aureus isoleucyl-tRNA synthetase				Bioorg Med Chem Lett 9: 375-80 (1999) BindingDB Entry DOI: 10.7270/Q2M32TX1
					More data for this Ligand-Target Pair