BDBM426626 US10543221, Compound 994942::US10543221, Formula 13

SMILES: Cc1cc(Br)c2c(CP(O)(O)=O)cc(=O)oc2c1

InChI Key: InChIKey=AVDUOTYJUPESMO-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 426626   

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
Ubiquitin-associated domain-containing protein 1 (Human)	BDBM426626 (US10543221, Compound 994942 | US10543221, Formula ...) Show SMILES Cc1cc(Br)c2c(CP(O)(O)=O)cc(=O)oc2c1 Show InChI InChI=1S/C11H10BrO5P/c1-6-2-8(12)11-7(5-18(14,15)16)4-10(13)17-9(11)3-6/h2-4H,5H2,1H3,(H2,14,15,16)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	488	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida; The Regents of the University of California US Patent					Assay Description Expression and Purification of Beta-Lactamases. For his tag KPC-2 beta-lactamase, bacteria were grown overnight at 30 C with shaking in 50 mL LB brot...				US Patent US10543221 (2020) BindingDB Entry DOI: 10.7270/Q2SF2ZJR
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase ORTHRUS 5 (Mouse-ear cress)	BDBM426626 (US10543221, Compound 994942 | US10543221, Formula ...) Show SMILES Cc1cc(Br)c2c(CP(O)(O)=O)cc(=O)oc2c1 Show InChI InChI=1S/C11H10BrO5P/c1-6-2-8(12)11-7(5-18(14,15)16)4-10(13)17-9(11)3-6/h2-4H,5H2,1H3,(H2,14,15,16)	MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida; The Regents of the University of California US Patent					Assay Description Expression and Purification of Beta-Lactamases. For his tag KPC-2 beta-lactamase, bacteria were grown overnight at 30 C with shaking in 50 mL LB brot...				US Patent US10543221 (2020) BindingDB Entry DOI: 10.7270/Q2SF2ZJR
					More data for this Ligand-Target Pair
Beta-lactamase NDM-1 (Klebsiella pneumoniae)	BDBM426626 (US10543221, Compound 994942 | US10543221, Formula ...) Show SMILES Cc1cc(Br)c2c(CP(O)(O)=O)cc(=O)oc2c1 Show InChI InChI=1S/C11H10BrO5P/c1-6-2-8(12)11-7(5-18(14,15)16)4-10(13)17-9(11)3-6/h2-4H,5H2,1H3,(H2,14,15,16)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	5.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida; The Regents of the University of California US Patent					Assay Description Expression and Purification of Beta-Lactamases. For his tag KPC-2 beta-lactamase, bacteria were grown overnight at 30 C with shaking in 50 mL LB brot...				US Patent US10543221 (2020) BindingDB Entry DOI: 10.7270/Q2SF2ZJR
					More data for this Ligand-Target Pair				3D Structure (crystal)