BDBM50322607 CHEMBL1173339::diisopropyl 1-mercaptopropylphosphonate

SMILES: CCC(S)P(=O)(OC(C)C)OC(C)C

InChI Key: InChIKey=SGAGKIQXGMCPPU-UHFFFAOYSA-N

Data: 3 KI

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 = 50322607   

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)	BDBM50322607 (CHEMBL1173339 | diisopropyl 1-mercaptopropylphosph...) Show SMILES CCC(S)P(=O)(OC(C)C)OC(C)C Show InChI InChI=1S/C9H21O3PS/c1-6-9(14)13(10,11-7(2)3)12-8(4)5/h7-9,14H,6H2,1-5H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	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
Beta-lactamase L1 (Stenotrophomonas maltophilia)	BDBM50322607 (CHEMBL1173339 | diisopropyl 1-mercaptopropylphosph...) Show SMILES CCC(S)P(=O)(OC(C)C)OC(C)C Show InChI InChI=1S/C9H21O3PS/c1-6-9(14)13(10,11-7(2)3)12-8(4)5/h7-9,14H,6H2,1-5H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	>4.00E+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
Beta-lactamase L1 (Stenotrophomonas maltophilia)	BDBM50322607 (CHEMBL1173339 | diisopropyl 1-mercaptopropylphosph...) Show SMILES CCC(S)P(=O)(OC(C)C)OC(C)C Show InChI InChI=1S/C9H21O3PS/c1-6-9(14)13(10,11-7(2)3)12-8(4)5/h7-9,14H,6H2,1-5H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	>4.00E+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 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