Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with all data for entry = 50044183   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Fe(3+)-Zn(2+) purple acid phosphatase (Phaseolus vulgaris)	BDBM50162816 (CHEMBL180570 | Medronic acid | Methylene diphsphon...) Show SMILES OP(O)(=O)CP(O)(O)=O Show InChI InChI=1S/CH6O6P2/c2-8(3,4)1-9(5,6)7/h1H2,(H2,2,3,4)(H2,5,6,7)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of red kidney beans purple acid phosphatase				Eur J Med Chem 76: 132-44 (2014) Article DOI: 10.1016/j.ejmech.2014.02.008 BindingDB Entry DOI: 10.7270/Q2T43VM0
					More data for this Ligand-Target Pair
Fe(3+)-Zn(2+) purple acid phosphatase (Phaseolus vulgaris)	BDBM50311531 ((2-Carboxyethyl)-phosphonic acid | 3-PHOSPHONOPROP...) Show SMILES OC(=O)CCP(O)(O)=O Show InChI InChI=1S/C3H7O5P/c4-3(5)1-2-9(6,7)8/h1-2H2,(H,4,5)(H2,6,7,8)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	1.60E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of red kidney beans purple acid phosphatase				Eur J Med Chem 76: 132-44 (2014) Article DOI: 10.1016/j.ejmech.2014.02.008 BindingDB Entry DOI: 10.7270/Q2T43VM0
					More data for this Ligand-Target Pair
Fe(3+)-Zn(2+) purple acid phosphatase (Phaseolus vulgaris)	BDBM50008089 (CHEBI:15732 | FOSFONET) Show SMILES OC(=O)CP(O)(O)=O Show InChI InChI=1S/C2H5O5P/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H2,5,6,7)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	5.90E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of red kidney beans purple acid phosphatase				Eur J Med Chem 76: 132-44 (2014) Article DOI: 10.1016/j.ejmech.2014.02.008 BindingDB Entry DOI: 10.7270/Q2T43VM0
					More data for this Ligand-Target Pair
Fe(3+)-Zn(2+) purple acid phosphatase (Phaseolus vulgaris)	BDBM84557 (Phosphate analogue, 6) Show SMILES CCP(O)(O)=O Show InChI InChI=1S/C2H7O3P/c1-2-6(3,4)5/h2H2,1H3,(H2,3,4,5)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	7.60E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of red kidney beans purple acid phosphatase				Eur J Med Chem 76: 132-44 (2014) Article DOI: 10.1016/j.ejmech.2014.02.008 BindingDB Entry DOI: 10.7270/Q2T43VM0
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Bacteroides fragilis)	BDBM50008094 (CHEMBL3234724) Show SMILES OS(O)([O-])CC[NH+]1CCOCC1 Show InChI InChI=1S/C6H15NO4S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h8-10H,1-6H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Competitive inhibition of Bacteroides fragilis metallo-beta-lactamase CcrA				Eur J Med Chem 76: 132-44 (2014) Article DOI: 10.1016/j.ejmech.2014.02.008 BindingDB Entry DOI: 10.7270/Q2T43VM0
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Bacteroides fragilis)	BDBM50008098 (CHEMBL3234725) Show SMILES C(c1ccc(cc1)-c1ccccc1-c1nnn[nH]1)n1c2ccccc2c2ccccc12 Show InChI InChI=1S/C26H19N5/c1-2-10-23(26-27-29-30-28-26)20(7-1)19-15-13-18(14-16-19)17-31-24-11-5-3-8-21(24)22-9-4-6-12-25(22)31/h1-16H,17H2,(H,27,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Competitive inhibition of Bacteroides fragilis metallo-beta-lactamase CcrA				Eur J Med Chem 76: 132-44 (2014) Article DOI: 10.1016/j.ejmech.2014.02.008 BindingDB Entry DOI: 10.7270/Q2T43VM0
					More data for this Ligand-Target Pair
Metallo-beta-lactamase L1 type 3 (Stenotrophomonas maltophilia)	BDBM50008093 (CHEMBL3234717) Show SMILES COC(=O)C(CSc1cc(C(=O)OC)c2nc3cccc(C(O)=O)c3nc2c1)NC(C)=O Show InChI InChI=1S/C21H19N3O7S/c1-10(25)22-16(21(29)31-3)9-32-11-7-13(20(28)30-2)18-15(8-11)24-17-12(19(26)27)5-4-6-14(17)23-18/h4-8,16H,9H2,1-3H3,(H,22,25)(H,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of Stenotrophomonas maltophilia metallo-beta-lactamase L1 after 5 mins				Eur J Med Chem 76: 132-44 (2014) Article DOI: 10.1016/j.ejmech.2014.02.008 BindingDB Entry DOI: 10.7270/Q2T43VM0
					More data for this Ligand-Target Pair
Metallo-beta-lactamase L1 type 3 (Stenotrophomonas maltophilia)	BDBM50008090 (CHEMBL3234716) Show SMILES COC(=O)c1c(O)ccc2nc3c(cccc3nc12)C(O)=O Show InChI InChI=1S/C15H10N2O5/c1-22-15(21)11-10(18)6-5-9-13(11)17-8-4-2-3-7(14(19)20)12(8)16-9/h2-6,18H,1H3,(H,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of Stenotrophomonas maltophilia metallo-beta-lactamase L1 after 5 mins				Eur J Med Chem 76: 132-44 (2014) Article DOI: 10.1016/j.ejmech.2014.02.008 BindingDB Entry DOI: 10.7270/Q2T43VM0
					More data for this Ligand-Target Pair
Arginase-1 (Rattus norvegicus)	BDBM50008099 (CHEMBL1234777) Show SMILES N[C@@H](CCNC(=N)NO)C(O)=O |r| Show InChI InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-8-5(7)9-12/h3,12H,1-2,6H2,(H,10,11)(H3,7,8,9)/t3-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of rat liver arginase				Eur J Med Chem 76: 132-44 (2014) Article DOI: 10.1016/j.ejmech.2014.02.008 BindingDB Entry DOI: 10.7270/Q2T43VM0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fe(3+)-Zn(2+) purple acid phosphatase (Phaseolus vulgaris)	BDBM50008082 (CHEMBL1794623) Show SMILES OP(O)(=O)CS Show InChI InChI=1S/CH5O3PS/c2-5(3,4)1-6/h6H,1H2,(H2,2,3,4)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of red kidney beans purple acid phosphatase				Eur J Med Chem 76: 132-44 (2014) Article DOI: 10.1016/j.ejmech.2014.02.008 BindingDB Entry DOI: 10.7270/Q2T43VM0
					More data for this Ligand-Target Pair
Fe(3+)-Zn(2+) purple acid phosphatase (Phaseolus vulgaris)	BDBM50008087 (CHEMBL3234430) Show SMILES OP(O)(=O)CCCS Show InChI InChI=1S/C3H9O3PS/c4-7(5,6)2-1-3-8/h8H,1-3H2,(H2,4,5,6)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+5	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of red kidney beans purple acid phosphatase				Eur J Med Chem 76: 132-44 (2014) Article DOI: 10.1016/j.ejmech.2014.02.008 BindingDB Entry DOI: 10.7270/Q2T43VM0
					More data for this Ligand-Target Pair
Fe(3+)-Zn(2+) purple acid phosphatase (Phaseolus vulgaris)	BDBM50322604 (2-mercaptophenylphosphonic acid | CHEMBL1173336) Show SMILES OP(O)(=O)c1ccccc1S Show InChI InChI=1S/C6H7O3PS/c7-10(8,9)5-3-1-2-4-6(5)11/h1-4,11H,(H2,7,8,9)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of red kidney beans purple acid phosphatase				Eur J Med Chem 76: 132-44 (2014) Article DOI: 10.1016/j.ejmech.2014.02.008 BindingDB Entry DOI: 10.7270/Q2T43VM0
					More data for this Ligand-Target Pair
Fe(3+)-Zn(2+) purple acid phosphatase (Phaseolus vulgaris)	BDBM50008086 (CHEMBL3234429) Show SMILES OP(O)(=O)CCS Show InChI InChI=1S/C2H7O3PS/c3-6(4,5)1-2-7/h7H,1-2H2,(H2,3,4,5)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of red kidney beans purple acid phosphatase				Eur J Med Chem 76: 132-44 (2014) Article DOI: 10.1016/j.ejmech.2014.02.008 BindingDB Entry DOI: 10.7270/Q2T43VM0
					More data for this Ligand-Target Pair