Compile Data Set for Download or QSAR

Found 14 hits of ki for UniProtKB: P52699   

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 (Serratia marcescens)	BDBM50484536 (CHEMBL1935525) Show SMILES NC(=S)NNC(=O)c1ccc(cc1)C(=O)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C15H12N4O4S/c16-15(24)18-17-14(21)11-3-1-9(2-4-11)13(20)10-5-7-12(8-6-10)19(22)23/h1-8H,(H,17,21)(H3,16,18,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	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 Pseudomonas aeruginosa beta-lactamase IMP-1 assessed as formation of 4-nitrothiophenolate at pH 7 using CENTA as chromogeni...				Bioorg Med Chem Lett 22: 380-6 (2012) Article DOI: 10.1016/j.bmcl.2011.10.116 BindingDB Entry DOI: 10.7270/Q2D79F7P
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Serratia marcescens)	BDBM50484377 (CHEMBL1910737) Show SMILES COc1ccc(cc1)-n1c(c(-c2ccccc2)c2c(Cl)ncnc12)-c1ccccc1 Show InChI InChI=1S/C25H18ClN3O/c1-30-20-14-12-19(13-15-20)29-23(18-10-6-3-7-11-18)21(17-8-4-2-5-9-17)22-24(26)27-16-28-25(22)29/h2-16H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Helwan University Curated by ChEMBL					Assay Description Competitive inhibition of Pseudomonas aeruginosa metallo-beta-lactamase IMP-1 expressed in Escherichia coli BL21(DE3) using CENTA as substrate by spe...				Eur J Med Chem 46: 6075-82 (2011) Article DOI: 10.1016/j.ejmech.2011.10.030 BindingDB Entry DOI: 10.7270/Q26M39PH
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Serratia marcescens)	BDBM50484533 (CHEMBL1935522) Show SMILES NC(=S)NNC(=O)c1ccc(cc1)C(=O)c1ccccc1 Show InChI InChI=1S/C15H13N3O2S/c16-15(21)18-17-14(20)12-8-6-11(7-9-12)13(19)10-4-2-1-3-5-10/h1-9H,(H,17,20)(H3,16,18,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	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
The University of Queensland Curated by ChEMBL					Assay Description Competitive inhibition of Pseudomonas aeruginosa beta-lactamase IMP-1 assessed as formation of 4-nitrothiophenolate at pH 7 using CENTA as chromogeni...				Bioorg Med Chem Lett 22: 380-6 (2012) Article DOI: 10.1016/j.bmcl.2011.10.116 BindingDB Entry DOI: 10.7270/Q2D79F7P
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Serratia marcescens)	BDBM50484534 (CHEMBL1935526) Show SMILES NC(=S)NNC(=O)c1ccc(cc1)C(=O)c1ccccc1Cl Show InChI InChI=1S/C15H12ClN3O2S/c16-12-4-2-1-3-11(12)13(20)9-5-7-10(8-6-9)14(21)18-19-15(17)22/h1-8H,(H,18,21)(H3,17,19,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40E+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 Pseudomonas aeruginosa beta-lactamase IMP-1 assessed as formation of 4-nitrothiophenolate at pH 7 using CENTA as chromogeni...				Bioorg Med Chem Lett 22: 380-6 (2012) Article DOI: 10.1016/j.bmcl.2011.10.116 BindingDB Entry DOI: 10.7270/Q2D79F7P
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Serratia marcescens)	BDBM50484375 (CHEMBL1910741) Show SMILES Cc1ccc(cc1)-n1c(c(-c2ccccc2)c2c1ncn1c2n[nH]c1=S)-c1ccccc1 Show InChI InChI=1S/C26H19N5S/c1-17-12-14-20(15-13-17)31-23(19-10-6-3-7-11-19)21(18-8-4-2-5-9-18)22-24(31)27-16-30-25(22)28-29-26(30)32/h2-16H,1H3,(H,29,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	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
Helwan University Curated by ChEMBL					Assay Description Competitive inhibition of Pseudomonas aeruginosa metallo-beta-lactamase IMP-1 expressed in Escherichia coli BL21(DE3) using CENTA as substrate by spe...				Eur J Med Chem 46: 6075-82 (2011) Article DOI: 10.1016/j.ejmech.2011.10.030 BindingDB Entry DOI: 10.7270/Q26M39PH
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Serratia marcescens)	BDBM50484531 (CHEMBL1935524) Show SMILES NC(=S)NNC(=O)c1ccc(cc1)C(=O)c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C15H12N4O4S/c16-15(24)18-17-14(21)10-6-4-9(5-7-10)13(20)11-2-1-3-12(8-11)19(22)23/h1-8H,(H,17,21)(H3,16,18,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60E+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 Pseudomonas aeruginosa beta-lactamase IMP-1 assessed as formation of 4-nitrothiophenolate at pH 7 using CENTA as chromogeni...				Bioorg Med Chem Lett 22: 380-6 (2012) Article DOI: 10.1016/j.bmcl.2011.10.116 BindingDB Entry DOI: 10.7270/Q2D79F7P
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Serratia marcescens)	BDBM50484374 (CHEMBL1910740) Show SMILES Cc1ccc(cc1)-n1c(c(-c2ccccc2)c2c(N\N=C\c3ccccc3)ncnc12)-c1ccccc1 Show InChI InChI=1S/C32H25N5/c1-23-17-19-27(20-18-23)37-30(26-15-9-4-10-16-26)28(25-13-7-3-8-14-25)29-31(33-22-34-32(29)37)36-35-21-24-11-5-2-6-12-24/h2-22H,1H3,(H,33,34,36)/b35-21+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Helwan University Curated by ChEMBL					Assay Description Competitive inhibition of Pseudomonas aeruginosa metallo-beta-lactamase IMP-1 expressed in Escherichia coli BL21(DE3) using CENTA as substrate by spe...				Eur J Med Chem 46: 6075-82 (2011) Article DOI: 10.1016/j.ejmech.2011.10.030 BindingDB Entry DOI: 10.7270/Q26M39PH
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Serratia marcescens)	BDBM50484535 (CHEMBL1935523) Show SMILES NC(=S)NNC(=O)c1ccc(Cc2ccccc2)cc1 Show InChI InChI=1S/C15H15N3OS/c16-15(20)18-17-14(19)13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,17,19)(H3,16,18,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80E+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 Pseudomonas aeruginosa beta-lactamase IMP-1 assessed as formation of 4-nitrothiophenolate at pH 7 using CENTA as chromogeni...				Bioorg Med Chem Lett 22: 380-6 (2012) Article DOI: 10.1016/j.bmcl.2011.10.116 BindingDB Entry DOI: 10.7270/Q2D79F7P
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Serratia marcescens)	BDBM50484372 (CHEMBL1910736) Show SMILES Cc1ccc(cc1)-n1c(c(-c2ccccc2)c2c(Cl)ncnc12)-c1ccccc1 Show InChI InChI=1S/C25H18ClN3/c1-17-12-14-20(15-13-17)29-23(19-10-6-3-7-11-19)21(18-8-4-2-5-9-18)22-24(26)27-16-28-25(22)29/h2-16H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Helwan University Curated by ChEMBL					Assay Description Competitive inhibition of Pseudomonas aeruginosa metallo-beta-lactamase IMP-1 expressed in Escherichia coli BL21(DE3) using CENTA as substrate by spe...				Eur J Med Chem 46: 6075-82 (2011) Article DOI: 10.1016/j.ejmech.2011.10.030 BindingDB Entry DOI: 10.7270/Q26M39PH
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Serratia marcescens)	BDBM50484530 (CHEMBL1576619) Show SMILES NC(S)=NNC(=O)c1ccccc1 Show InChI InChI=1S/C8H9N3OS/c9-8(13)11-10-7(12)6-4-2-1-3-5-6/h1-5H,(H,10,12)(H3,9,11,13)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.90E+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 Pseudomonas aeruginosa beta-lactamase IMP-1 assessed as formation of 4-nitrothiophenolate at pH 7 using CENTA as chromogeni...				Bioorg Med Chem Lett 22: 380-6 (2012) Article DOI: 10.1016/j.bmcl.2011.10.116 BindingDB Entry DOI: 10.7270/Q2D79F7P
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Serratia marcescens)	BDBM50484376 (CHEMBL1910739) Show SMILES [#6]-[#8]-c1ccc(cc1)-n1c2-[#7]=[#6]-[#7]\[#6](=[#6](\C#N)C#N)-c2c(c1-c1ccccc1)-c1ccccc1 |c:11| Show InChI InChI=1S/C28H19N5O/c1-34-23-14-12-22(13-15-23)33-27(20-10-6-3-7-11-20)24(19-8-4-2-5-9-19)25-26(21(16-29)17-30)31-18-32-28(25)33/h2-15,18H,1H3,(H,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Helwan University Curated by ChEMBL					Assay Description Competitive inhibition of Pseudomonas aeruginosa metallo-beta-lactamase IMP-1 expressed in Escherichia coli BL21(DE3) using CENTA as substrate by spe...				Eur J Med Chem 46: 6075-82 (2011) Article DOI: 10.1016/j.ejmech.2011.10.030 BindingDB Entry DOI: 10.7270/Q26M39PH
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Serratia marcescens)	BDBM50484373 (CHEMBL1910738) Show SMILES Cc1ccc(cc1)-n1cc(-c2ccccc2)c2c(Cl)ncnc12 Show InChI InChI=1S/C19H14ClN3/c1-13-7-9-15(10-8-13)23-11-16(14-5-3-2-4-6-14)17-18(20)21-12-22-19(17)23/h2-12H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Helwan University Curated by ChEMBL					Assay Description Competitive inhibition of Pseudomonas aeruginosa metallo-beta-lactamase IMP-1 expressed in Escherichia coli BL21(DE3) using CENTA as substrate by spe...				Eur J Med Chem 46: 6075-82 (2011) Article DOI: 10.1016/j.ejmech.2011.10.030 BindingDB Entry DOI: 10.7270/Q26M39PH
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Serratia marcescens)	BDBM50484532 (CHEMBL1935527) Show SMILES Cc1ccc(cc1)C(=O)c1ccc(cc1)C(=O)NNC(N)=S Show InChI InChI=1S/C16H15N3O2S/c1-10-2-4-11(5-3-10)14(20)12-6-8-13(9-7-12)15(21)18-19-16(17)22/h2-9H,1H3,(H,18,21)(H3,17,19,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.10E+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 Pseudomonas aeruginosa beta-lactamase IMP-1 assessed as formation of 4-nitrothiophenolate at pH 7 using CENTA as chromogeni...				Bioorg Med Chem Lett 22: 380-6 (2012) Article DOI: 10.1016/j.bmcl.2011.10.116 BindingDB Entry DOI: 10.7270/Q2D79F7P
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Serratia marcescens)	BDBM50484529 (CHEMBL1935512) Show SMILES Sc1nnc([nH]1)-c1ccc(cc1)C(=O)c1ccccc1 Show InChI InChI=1S/C15H11N3OS/c19-13(10-4-2-1-3-5-10)11-6-8-12(9-7-11)14-16-15(20)18-17-14/h1-9H,(H2,16,17,18,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.50E+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 Pseudomonas aeruginosa beta-lactamase IMP-1 assessed as formation of 4-nitrothiophenolate at pH 7 using CENTA as chromogeni...				Bioorg Med Chem Lett 22: 380-6 (2012) Article DOI: 10.1016/j.bmcl.2011.10.116 BindingDB Entry DOI: 10.7270/Q2D79F7P
					More data for this Ligand-Target Pair