BDBM50322605 CHEMBL1173337::Diisopropyl 2-(sulfanylmethyl)phenylphosphonate::bis(1-methylethyl) [2-(sulfanylmethyl)phenyl]phosphonate

SMILES: CC(C)OP(=O)(OC(C)C)c1ccccc1CS

InChI Key: InChIKey=JFZVPWMZPZJUTE-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 50322605   

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
Beta-lactamase (Aeromonas hydrophila)	BDBM50322605 (CHEMBL1173337 | Diisopropyl 2-(sulfanylmethyl)phen...) Show SMILES CC(C)OP(=O)(OC(C)C)c1ccccc1CS Show InChI InChI=1S/C13H21O3PS/c1-10(2)15-17(14,16-11(3)4)13-8-6-5-7-12(13)9-18/h5-8,10-11,18H,9H2,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	MMDB PDB Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Li£ge Curated by ChEMBL					Assay Description Inhibition of Aeromonas hydrophila cphA				J Med Chem 53: 4862-76 (2010) Article DOI: 10.1021/jm100213c BindingDB Entry DOI: 10.7270/Q2057G34
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-lactamase L1 (Stenotrophomonas maltophilia)	BDBM50322605 (CHEMBL1173337 | Diisopropyl 2-(sulfanylmethyl)phen...) Show SMILES CC(C)OP(=O)(OC(C)C)c1ccccc1CS Show InChI InChI=1S/C13H21O3PS/c1-10(2)15-17(14,16-11(3)4)13-8-6-5-7-12(13)9-18/h5-8,10-11,18H,9H2,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Li£ge Curated by ChEMBL					Assay Description Inhibition of Stenotrophomonas maltophilia beta lactamase L1 in absence of Zn+ chelator				J Med Chem 53: 4862-76 (2010) Article DOI: 10.1021/jm100213c BindingDB Entry DOI: 10.7270/Q2057G34
					More data for this Ligand-Target Pair
Beta-lactamase L1 (Stenotrophomonas maltophilia)	BDBM50322605 (CHEMBL1173337 | Diisopropyl 2-(sulfanylmethyl)phen...) Show SMILES CC(C)OP(=O)(OC(C)C)c1ccccc1CS Show InChI InChI=1S/C13H21O3PS/c1-10(2)15-17(14,16-11(3)4)13-8-6-5-7-12(13)9-18/h5-8,10-11,18H,9H2,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Li£ge Curated by ChEMBL					Assay Description Inhibition of Stenotrophomonas maltophilia beta lactamase L1 in presence of Zn+ chelator				J Med Chem 53: 4862-76 (2010) Article DOI: 10.1021/jm100213c BindingDB Entry DOI: 10.7270/Q2057G34
					More data for this Ligand-Target Pair