null

SMILES: C[C@@H](O)[C@H](NC(=O)c1ccc(cc1)-c1ccc(Br)cc1)C(=O)NO

InChI Key: InChIKey=OEJYZUMESQZYFQ-BMIGLBTASA-N

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 = 92268   

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
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Aquifex aeolicus)	BDBM92268 (CS258) Show SMILES C[C@@H](O)[C@H](NC(=O)c1ccc(cc1)-c1ccc(Br)cc1)C(=O)NO Show InChI InChI=1S/C17H17BrN2O4/c1-10(21)15(17(23)20-24)19-16(22)13-4-2-11(3-5-13)12-6-8-14(18)9-7-12/h2-10,15,21,24H,1H3,(H,19,22)(H,20,23)/t10-,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PubMed	1	-12.3	n/a	n/a	n/a	n/a	n/a	7.0	25
CSAR					Assay Description OctetRed				CSAR 1: (2012)
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Aquifex aeolicus)	BDBM92268 (CS258) Show SMILES C[C@@H](O)[C@H](NC(=O)c1ccc(cc1)-c1ccc(Br)cc1)C(=O)NO Show InChI InChI=1S/C17H17BrN2O4/c1-10(21)15(17(23)20-24)19-16(22)13-4-2-11(3-5-13)12-6-8-14(18)9-7-12/h2-10,15,21,24H,1H3,(H,19,22)(H,20,23)/t10-,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	n/a	33	n/a	n/a	n/a	7.0	25
CSAR					Assay Description Thermofluor				CSAR 1: (2012)
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Aquifex aeolicus)	BDBM92268 (CS258) Show SMILES C[C@@H](O)[C@H](NC(=O)c1ccc(cc1)-c1ccc(Br)cc1)C(=O)NO Show InChI InChI=1S/C17H17BrN2O4/c1-10(21)15(17(23)20-24)19-16(22)13-4-2-11(3-5-13)12-6-8-14(18)9-7-12/h2-10,15,21,24H,1H3,(H,19,22)(H,20,23)/t10-,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	n/a	122	n/a	n/a	n/a	7.0	25
CSAR					Assay Description ITC				CSAR 1: (2012)
					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM92268 (CS258) Show SMILES C[C@@H](O)[C@H](NC(=O)c1ccc(cc1)-c1ccc(Br)cc1)C(=O)NO Show InChI InChI=1S/C17H17BrN2O4/c1-10(21)15(17(23)20-24)19-16(22)13-4-2-11(3-5-13)12-6-8-14(18)9-7-12/h2-10,15,21,24H,1H3,(H,19,22)(H,20,23)/t10-,15+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB D3R	n/a	n/a	n/a	33.2	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description Thermofluor_Method1				D3R 224: (2015) BindingDB Entry DOI: 10.7270/Q2HM57BR
					More data for this Ligand-Target Pair				3D Structure (crystal)