Compile Data Set for Download or QSAR

Found 7 hits of ki data for polymerid = 4684   

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
Beta-lactamase (Pseudomonas aeruginosa)	BDBM50336509 (CHEMBL116455 | Mercapto-acetic acid | Mercaptoacet...) Show SMILES OC(=O)CS Show InChI InChI=1S/C2H4O2S/c3-2(4)1-5/h5H,1H2,(H,3,4)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Toho University School of Medicine Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa beta-lactamase IMP-1 assessed as hydrolysis of nitrocefin by UV spectrophotometric analysis				Antimicrob Agents Chemother 54: 3625-9 (2010) Article DOI: 10.1128/AAC.01397-09 BindingDB Entry DOI: 10.7270/Q29C6XQ2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-lactamase (Pseudomonas aeruginosa)	BDBM50336510 (7,8-dihydroxy-1-methoxy-3-methyl-10-oxo-1,10-dihyd...) Show SMILES COC1OC(C)=Cc2oc3cc(O)c(O)c(C(O)=O)c3c(=O)c12 |c:5| Show InChI InChI=1S/C15H12O8/c1-5-3-7-10(15(21-2)22-5)13(18)9-8(23-7)4-6(16)12(17)11(9)14(19)20/h3-4,15-17H,1-2H3,(H,19,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Toho University School of Medicine Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa beta-lactamase IMP-1 assessed as hydrolysis of nitrocefin by UV spectrophotometric analysis				Antimicrob Agents Chemother 54: 3625-9 (2010) Article DOI: 10.1128/AAC.01397-09 BindingDB Entry DOI: 10.7270/Q29C6XQ2
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM50121953 (2-mercaptoethanecarboxylic acid | 3-mercaptopropan...) Show SMILES OC(=O)CCS Show InChI InChI=1S/C3H6O2S/c4-3(5)1-2-6/h6H,1-2H2,(H,4,5)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Toho University School of Medicine Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa beta-lactamase IMP-1 assessed as hydrolysis of nitrocefin by UV spectrophotometric analysis				Antimicrob Agents Chemother 54: 3625-9 (2010) Article DOI: 10.1128/AAC.01397-09 BindingDB Entry DOI: 10.7270/Q29C6XQ2
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM50336511 ((4R,5S,6S)-3-(benzo[b]thiophen-2-ylthio)-6-((R)-1-...) Show SMILES C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(Sc3cc4ccccc4s3)=C(N2C1=O)C(O)=O |r,c:19| Show InChI InChI=1S/C18H17NO4S2/c1-8-14-13(9(2)20)17(21)19(14)15(18(22)23)16(8)25-12-7-10-5-3-4-6-11(10)24-12/h3-9,13-14,20H,1-2H3,(H,22,23)/t8-,9-,13-,14-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Toho University School of Medicine Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa beta-lactamase IMP-1 assessed as hydrolysis of nitrocefin by UV spectrophotometric analysis				Antimicrob Agents Chemother 54: 3625-9 (2010) Article DOI: 10.1128/AAC.01397-09 BindingDB Entry DOI: 10.7270/Q29C6XQ2
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM50336508 (CHEMBL1673299 | sodium 2,3-diethylmaleate) Show SMILES CC\C(C([O-])=O)=C(/CC)C([O-])=O Show InChI InChI=1S/C8H12O4/c1-3-5(7(9)10)6(4-2)8(11)12/h3-4H2,1-2H3,(H,9,10)(H,11,12)/p-2/b6-5-	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Toho University School of Medicine Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa beta-lactamase IMP-1 assessed as hydrolysis of nitrocefin by UV spectrophotometric analysis				Antimicrob Agents Chemother 54: 3625-9 (2010) Article DOI: 10.1128/AAC.01397-09 BindingDB Entry DOI: 10.7270/Q29C6XQ2
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM21642 ((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...) Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant Pseudomonas aeruginosa MBL IMP-1 using nitrocefin as substrate preincubated for 20 mins by UV-spectrophotometric analysis				Bioorg Med Chem Lett 22: 6229-32 (2012) Article DOI: 10.1016/j.bmcl.2012.08.012 BindingDB Entry DOI: 10.7270/Q2CF9RCZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-lactamase (Pseudomonas aeruginosa)	BDBM50421220 (CHEMBL2087628) Show SMILES OC(=O)[C@@H]1CSC(=N1)c1ccccc1 |r,c:6| Show InChI InChI=1S/C10H9NO2S/c12-10(13)8-6-14-9(11-8)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,13)/t8-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant Pseudomonas aeruginosa MBL IMP-1 using nitrocefin as substrate preincubated for 20 mins by UV-spectrophotometric analysis				Bioorg Med Chem Lett 22: 6229-32 (2012) Article DOI: 10.1016/j.bmcl.2012.08.012 BindingDB Entry DOI: 10.7270/Q2CF9RCZ
					More data for this Ligand-Target Pair