Compile Data Set for Download or QSAR

Found 11 hits of ic50 data for polymerid = 50005177   

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 (Escherichia coli)	BDBM50076680 (CHEMBL6461 | Ro-48-1220 | Sodium; (2S,3R,5R)-3-((Z...) Show SMILES C[C@]1(\C=C\C#N)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O Show InChI InChI=1S/C10H10N2O5S/c1-10(3-2-4-11)8(9(14)15)12-6(13)5-7(12)18(10,16)17/h2-3,7-8H,5H2,1H3,(H,14,15)/p-1/b3-2+/t7-,8+,10+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-LaRoche Ltd Curated by ChEMBL					Assay Description Compound was tested for inhibition of Beta-lactamase from PSE-1				J Med Chem 39: 3712-22 (1996) Article DOI: 10.1021/jm9601967 BindingDB Entry DOI: 10.7270/Q2ZK5H99
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50021959 (CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...) Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article	n/a	n/a	7.53E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Concentration required for its inhibitory activity against Escherichia coli K12(PSE4) class A beta-lactamase				Citation and Details Article DOI: 10.1016/S0960-894X(01)80506-0 BindingDB Entry DOI: 10.7270/Q21V5HPM
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50469660 (CHEMBL30915) Show SMILES CCCCCCCCCCCCCCCc1cccc(OC)c1C(O)=O Show InChI InChI=1S/C23H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-18-16-19-21(26-2)22(20)23(24)25/h16,18-19H,3-15,17H2,1-2H3,(H,24,25)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	1.65E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Concentration required for its inhibitory activity against Escherichia coli K12(PSE4) class A beta-lactamase				Citation and Details Article DOI: 10.1016/S0960-894X(01)80506-0 BindingDB Entry DOI: 10.7270/Q21V5HPM
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50469665 (CHEMBL30914) Show SMILES CCCCCCCCCCCCCCCCCc1cccc(O)c1C(O)=O Show InChI InChI=1S/C24H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(25)23(21)24(26)27/h17,19-20,25H,2-16,18H2,1H3,(H,26,27)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	1.85E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Concentration required for its inhibitory activity against Escherichia coli K12(PSE4) class A beta-lactamase				Citation and Details Article DOI: 10.1016/S0960-894X(01)80506-0 BindingDB Entry DOI: 10.7270/Q21V5HPM
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50292429 (2-Hydroxy-6-pentadecyl-benzoic acid | 2-Pentadecyl...) Show SMILES OC(=O)c1c(O)cccc1CCCCCCC\C=C/C\C=C/CC=C Show InChI InChI=1S/C22H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h2,4-5,7-8,15,17-18,23H,1,3,6,9-14,16H2,(H,24,25)/b5-4-,8-7-	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.21E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Concentration required for its inhibitory activity against Escherichia coli K12(PSE4) class A beta-lactamase				Citation and Details Article DOI: 10.1016/S0960-894X(01)80506-0 BindingDB Entry DOI: 10.7270/Q21V5HPM
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50469664 (3-Decyl-Phenol | CHEMBL33202) Show SMILES CCCCCCCCCCc1cccc(O)c1 Show InChI InChI=1S/C16H26O/c1-2-3-4-5-6-7-8-9-11-15-12-10-13-16(17)14-15/h10,12-14,17H,2-9,11H2,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	1.74E+7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Concentration required for its inhibitory activity against Escherichia coli K12(PSE4) class A beta-lactamase				Citation and Details Article DOI: 10.1016/S0960-894X(01)80506-0 BindingDB Entry DOI: 10.7270/Q21V5HPM
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50469657 (CHEMBL33995 | SB-202742) Show SMILES CC\C=C/C\C=C/C\C=C/CCCCCCCc1cccc(O)c1C(O)=O Show InChI InChI=1S/C24H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(25)23(21)24(26)27/h3-4,6-7,9-10,17,19-20,25H,2,5,8,11-16,18H2,1H3,(H,26,27)/b4-3-,7-6-,10-9-	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article	n/a	n/a	2.69E+7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Concentration required for its inhibitory activity against Escherichia coli K12(PSE4) class A beta-lactamase				Citation and Details Article DOI: 10.1016/S0960-894X(01)80506-0 BindingDB Entry DOI: 10.7270/Q21V5HPM
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50469666 (6-Octylsalicylic Acid | CHEMBL33379) Show SMILES CCCCCCCCc1cccc(O)c1C(O)=O Show InChI InChI=1S/C15H22O3/c1-2-3-4-5-6-7-9-12-10-8-11-13(16)14(12)15(17)18/h8,10-11,16H,2-7,9H2,1H3,(H,17,18)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	6.39E+7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Concentration required for its inhibitory activity against Escherichia coli K12(PSE4) class A beta-lactamase				Citation and Details Article DOI: 10.1016/S0960-894X(01)80506-0 BindingDB Entry DOI: 10.7270/Q21V5HPM
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50082305 (3-Pentadecyl-phenol | 3-pentadecyl phenol | 3-pent...) Show SMILES CCCCCCCCCCCCCCCc1cccc(O)c1 Show InChI InChI=1S/C21H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(22)19-20/h15,17-19,22H,2-14,16H2,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	6.56E+7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Concentration required for its inhibitory activity against Escherichia coli K12(PSE4) class A beta-lactamase				Citation and Details Article DOI: 10.1016/S0960-894X(01)80506-0 BindingDB Entry DOI: 10.7270/Q21V5HPM
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50469661 (CHEMBL30870) Show SMILES CCCCCCCCCCc1cccc(OC)c1C(O)=O Show InChI InChI=1S/C18H28O3/c1-3-4-5-6-7-8-9-10-12-15-13-11-14-16(21-2)17(15)18(19)20/h11,13-14H,3-10,12H2,1-2H3,(H,19,20)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	1.29E+8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Concentration required for its inhibitory activity against Escherichia coli K12(PSE4) class A beta-lactamase				Citation and Details Article DOI: 10.1016/S0960-894X(01)80506-0 BindingDB Entry DOI: 10.7270/Q21V5HPM
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50469667 (6-Decylsalicylic Acid | CHEMBL416038) Show SMILES CCCCCCCCCCc1cccc(O)c1C(O)=O Show InChI InChI=1S/C17H26O3/c1-2-3-4-5-6-7-8-9-11-14-12-10-13-15(18)16(14)17(19)20/h10,12-13,18H,2-9,11H2,1H3,(H,19,20)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	2.44E+8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Concentration required for its inhibitory activity against Escherichia coli K12(PSE4) class A beta-lactamase				Citation and Details Article DOI: 10.1016/S0960-894X(01)80506-0 BindingDB Entry DOI: 10.7270/Q21V5HPM
					More data for this Ligand-Target Pair