Compile Data Set for Download or QSAR

Found 17 hits of ki for UniProtKB: P26918   

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
Metallo-beta-lactamase type 2 (Aeromonas hydrophila)	BDBM50322609 (CHEMBL1170023 | diisopropyl mercapto(phenyl)methyl...) Show SMILES CC(C)OP(=O)(OC(C)C)C(S)c1ccccc1 Show InChI InChI=1S/C13H21O3PS/c1-10(2)15-17(14,16-11(3)4)13(18)12-8-6-5-7-9-12/h5-11,13,18H,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	250	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
Metallo-beta-lactamase type 2 (Aeromonas hydrophila)	BDBM50322606 (2-(Sulfanylmethyl)phenylphosphonic acid | CHEMBL11...) Show SMILES OP(O)(=O)c1ccccc1CS Show InChI InChI=1S/C7H9O3PS/c8-11(9,10)7-4-2-1-3-6(7)5-12/h1-4,12H,5H2,(H2,8,9,10)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	500	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
Metallo-beta-lactamase type 2 (Aeromonas hydrophila)	BDBM50322602 (CHEMBL1172743 | alpha-Sulfanyl(4-fluorobenzyl)phos...) Show SMILES OP(O)(O)C(=S)c1ccc(F)cc1 Show InChI InChI=1S/C7H8FO3PS/c8-6-3-1-5(2-4-6)7(13)12(9,10)11/h1-4,9-12H	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.00E+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
Metallo-beta-lactamase type 2 (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
Metallo-beta-lactamase type 2 (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)
Metallo-beta-lactamase type 2 (Aeromonas hydrophila)	BDBM50322612 (CHEMBL1173797 | alpha-Sulfanyl(2,4-dichlorobenzyl)...) Show SMILES OP(O)(O)C(=S)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C7H7Cl2O3PS/c8-4-1-2-5(6(9)3-4)7(14)13(10,11)12/h1-3,10-13H	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	5.00E+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)
Metallo-beta-lactamase type 2 (Aeromonas hydrophila)	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 DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	7.00E+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
Metallo-beta-lactamase type 2 (Aeromonas hydrophila)	BDBM50270748 (CHEMBL4125968) Show SMILES O=C(Nc1c(C#N)c(c(-c2ccccc2)n1Cc1ccccc1)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C31H23N3O/c32-21-27-28(24-15-7-2-8-16-24)29(25-17-9-3-10-18-25)34(22-23-13-5-1-6-14-23)30(27)33-31(35)26-19-11-4-12-20-26/h1-20H,22H2,(H,33,35)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	1.10E+4	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 Aeromonas hydrophila recombinant CphA expressed in Escherichia coli BL21(DE3) using meropenem as substrate by UV/Vis multi-...				Eur J Med Chem 137: 351-364 (2017) Article DOI: 10.1016/j.ejmech.2017.05.061 BindingDB Entry DOI: 10.7270/Q2R213WD
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Aeromonas hydrophila)	BDBM50322610 (CHEMBL1170424 | alpha-Sulfanylbenzylphosphonic aci...) Show SMILES OP(O)(O)C(=S)c1ccccc1 Show InChI InChI=1S/C7H9O3PS/c8-11(9,10)7(12)6-4-2-1-3-5-6/h1-5,8-11H	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+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 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
Metallo-beta-lactamase type 2 (Aeromonas hydrophila)	BDBM50322600 (CHEMBL1173799 | alpha-Sulfanyl(4-bromobenzyl)phosp...) Show SMILES OP(O)(O)C(=S)c1ccc(Br)cc1 Show InChI InChI=1S/C7H8BrO3PS/c8-6-3-1-5(2-4-6)7(13)12(9,10)11/h1-4,9-12H	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.30E+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 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
Metallo-beta-lactamase type 2 (Aeromonas hydrophila)	BDBM50322608 (CHEMBL1172388 | alpha-Sulfanylpropylphosphonic aci...) Show SMILES CCC(=S)P(O)(O)O Show InChI InChI=1S/C3H9O3PS/c1-2-3(8)7(4,5)6/h4-7H,2H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.50E+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 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
Metallo-beta-lactamase type 2 (Aeromonas hydrophila)	BDBM50322613 (CHEMBL1173798 | alpha-Sulfanyl(2-methoxybenzyl)pho...) Show SMILES COc1ccccc1C(=S)P(O)(O)O Show InChI InChI=1S/C8H11O4PS/c1-12-7-5-3-2-4-6(7)8(14)13(9,10)11/h2-5,9-11,13H,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.50E+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 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
Metallo-beta-lactamase type 2 (Aeromonas hydrophila)	BDBM50322601 (CHEMBL1173800 | alpha-Sulfanyl(4-chlorobenzyl)phos...) Show SMILES OP(O)(O)C(=S)c1ccc(Cl)cc1 Show InChI InChI=1S/C7H8ClO3PS/c8-6-3-1-5(2-4-6)7(13)12(9,10)11/h1-4,9-12H	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40E+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 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
Metallo-beta-lactamase type 2 (Aeromonas hydrophila)	BDBM50322611 (5-Fluoro-2-sulfanyl-phenylphosphonic acid | CHEMBL...) Show SMILES OP(O)(=O)c1cc(F)ccc1S Show InChI InChI=1S/C6H6FO3PS/c7-4-1-2-6(12)5(3-4)11(8,9)10/h1-3,12H,(H2,8,9,10)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL 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 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
Metallo-beta-lactamase type 2 (Aeromonas hydrophila)	BDBM50270747 (CHEMBL1172302) Show SMILES Nc1c(C#N)c(c(-c2ccccc2)n1Cc1ccccc1)-c1ccccc1 Show InChI InChI=1S/C24H19N3/c25-16-21-22(19-12-6-2-7-13-19)23(20-14-8-3-9-15-20)27(24(21)26)17-18-10-4-1-5-11-18/h1-15H,17,26H2	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	5.20E+4	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 Aeromonas hydrophila recombinant CphA expressed in Escherichia coli BL21(DE3) using meropenem as substrate by UV/Vis multi-...				Eur J Med Chem 137: 351-364 (2017) Article DOI: 10.1016/j.ejmech.2017.05.061 BindingDB Entry DOI: 10.7270/Q2R213WD
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Aeromonas hydrophila)	BDBM50322603 (CHEMBL1172387 | diisopropyl 2-mercaptophenylphosph...) Show SMILES CC(C)OP(=O)(OC(C)C)c1ccccc1S Show InChI InChI=1S/C12H19O3PS/c1-9(2)14-16(13,15-10(3)4)11-7-5-6-8-12(11)17/h5-10,17H,1-4H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>2.50E+5	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
Metallo-beta-lactamase type 2 (Aeromonas hydrophila)	BDBM50270755 (CHEMBL4126112) Show SMILES O=C(Nc1c(C#N)c(c(-c2ccccc2)n1Cc1ccccc1)-c1ccccc1)c1ccc(cc1)C(=O)c1ccccc1 Show InChI InChI=1S/C38H27N3O2/c39-25-33-34(28-15-7-2-8-16-28)35(29-17-9-3-10-18-29)41(26-27-13-5-1-6-14-27)37(33)40-38(43)32-23-21-31(22-24-32)36(42)30-19-11-4-12-20-30/h1-24H,26H2,(H,40,43)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.72E+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 Competitive inhibition of Aeromonas hydrophila recombinant CphA expressed in Escherichia coli BL21(DE3) using meropenem as substrate by UV/Vis multi-...				Eur J Med Chem 137: 351-364 (2017) Article DOI: 10.1016/j.ejmech.2017.05.061 BindingDB Entry DOI: 10.7270/Q2R213WD
					More data for this Ligand-Target Pair