BDBM92267 CS257

SMILES: C[C@@H](O)[C@H](NC(=O)c1ccc(cc1)C#CC#Cc1ccccc1)C(=O)NO

InChI Key: InChIKey=VUYMSCCEGRLBAF-BEFAXECRSA-N

Data: 3 KI  2 Kd

PDB links: 4 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 = 92267   

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-GlcNAc deacetylase (Escherichia coli)	BDBM92267 (CS257) Show SMILES C[C@@H](O)[C@H](NC(=O)c1ccc(cc1)C#CC#Cc1ccccc1)C(=O)NO Show InChI InChI=1S/C21H18N2O4/c1-15(24)19(21(26)23-27)22-20(25)18-13-11-17(12-14-18)10-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,11-15,19,24,27H,1H3,(H,22,25)(H,23,26)/t15-,19+/m1/s1	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jilin University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli LpxC				Bioorg Med Chem 19: 852-60 (2011) Article DOI: 10.1016/j.bmc.2010.12.017 BindingDB Entry DOI: 10.7270/Q2DV1NQM
					More data for this Ligand-Target Pair				3D Structure (crystal)
UDP-3-O-acyl-GlcNAc deacetylase (Escherichia coli)	BDBM92267 (CS257) Show SMILES C[C@@H](O)[C@H](NC(=O)c1ccc(cc1)C#CC#Cc1ccccc1)C(=O)NO Show InChI InChI=1S/C21H18N2O4/c1-15(24)19(21(26)23-27)22-20(25)18-13-11-17(12-14-18)10-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,11-15,19,24,27H,1H3,(H,22,25)(H,23,26)/t15-,19+/m1/s1	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jilin University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli LpxC				Bioorg Med Chem 19: 852-60 (2011) Article DOI: 10.1016/j.bmc.2010.12.017 BindingDB Entry DOI: 10.7270/Q2DV1NQM
					More data for this Ligand-Target Pair				3D Structure (crystal)
UDP-3-O-Acyl-GlcNAc Deacetylase (LpxC) (Aquifex aeolicus)	BDBM92267 (CS257) Show SMILES C[C@@H](O)[C@H](NC(=O)c1ccc(cc1)C#CC#Cc1ccccc1)C(=O)NO Show InChI InChI=1S/C21H18N2O4/c1-15(24)19(21(26)23-27)22-20(25)18-13-11-17(12-14-18)10-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,11-15,19,24,27H,1H3,(H,22,25)(H,23,26)/t15-,19+/m1/s1	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB 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				3D Structure (crystal)
UDP-3-O-Acyl-GlcNAc Deacetylase (LpxC) (Aquifex aeolicus)	BDBM92267 (CS257) Show SMILES C[C@@H](O)[C@H](NC(=O)c1ccc(cc1)C#CC#Cc1ccccc1)C(=O)NO Show InChI InChI=1S/C21H18N2O4/c1-15(24)19(21(26)23-27)22-20(25)18-13-11-17(12-14-18)10-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,11-15,19,24,27H,1H3,(H,22,25)(H,23,26)/t15-,19+/m1/s1	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	n/a	8	n/a	n/a	n/a	7.0	25
CSAR					Assay Description Thermofluor				CSAR 1: (2012)
					More data for this Ligand-Target Pair				3D Structure (crystal)
UDP-3-O-acyl-GlcNAc deacetylase (LpxC) (Pseudomonas aeruginosa)	BDBM92267 (CS257) Show SMILES C[C@@H](O)[C@H](NC(=O)c1ccc(cc1)C#CC#Cc1ccccc1)C(=O)NO Show InChI InChI=1S/C21H18N2O4/c1-15(24)19(21(26)23-27)22-20(25)18-13-11-17(12-14-18)10-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,11-15,19,24,27H,1H3,(H,22,25)(H,23,26)/t15-,19+/m1/s1	PDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB D3R	n/a	n/a	n/a	8.35	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)