BDBM50483252 CHEMBL1643369

SMILES: C[C@@H](O)[C@H](NC(=O)c1ccc(cc1)C#CC#Cc1ccc(N)cc1)C(=O)NO

InChI Key: InChIKey=SNVYDNOGPYZQEV-KUHUBIRLSA-N

Data: 2 KI

PDB links: 2 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 2 hits for monomerid = 50483252   

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)	BDBM50483252 (CHEMBL1643369) Show SMILES C[C@@H](O)[C@H](NC(=O)c1ccc(cc1)C#CC#Cc1ccc(N)cc1)C(=O)NO |r| Show InChI InChI=1S/C21H19N3O4/c1-14(25)19(21(27)24-28)23-20(26)17-10-6-15(7-11-17)4-2-3-5-16-8-12-18(22)13-9-16/h6-14,19,25,28H,22H2,1H3,(H,23,26)(H,24,27)/t14-,19+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.0670	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)	BDBM50483252 (CHEMBL1643369) Show SMILES C[C@@H](O)[C@H](NC(=O)c1ccc(cc1)C#CC#Cc1ccc(N)cc1)C(=O)NO |r| Show InChI InChI=1S/C21H19N3O4/c1-14(25)19(21(27)24-28)23-20(26)17-10-6-15(7-11-17)4-2-3-5-16-8-12-18(22)13-9-16/h6-14,19,25,28H,22H2,1H3,(H,23,26)(H,24,27)/t14-,19+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.200	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)