Compile Data Set for Download or QSAR

Found 13 hits of ic50 data for polymerid = 4429   

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 (Bacteroides fragilis)	BDBM36643 (L-161,189) Show SMILES C(c1ccc(cc1)-c1ccccc1-c1nnn[nH]1)n1c2C=CCCc2c2ccccc12 |c:23| Show InChI InChI=1S/C26H21N5/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/h1-3,5-8,10-16H,4,9,17H2,(H,27,28,29,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	7.0	37
Merck Research Laboratories					Assay Description Enzyme inhibition assay by biphenyl tetrazoles (BPTS)using metallo-beta-lactamase.				Chem Biol 5: 185-96 (1998) Article DOI: 10.1016/s1074-5521(98)90632-9 BindingDB Entry DOI: 10.7270/Q20R9MSC
					More data for this Ligand-Target Pair
Beta-lactamase (Bacteroides fragilis)	BDBM36644 (L-159,906) Show SMILES CCCCc1nc2CCSc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C24H24N6OS/c1-2-3-8-21-25-20-13-14-32-22(20)24(31)30(21)15-16-9-11-17(12-10-16)18-6-4-5-7-19(18)23-26-28-29-27-23/h4-7,9-12H,2-3,8,13-15H2,1H3,(H,26,27,28,29)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	7.0	37
Merck Research Laboratories					Assay Description Enzyme inhibition assay by biphenyl tetrazoles (BPTS)using metallo-beta-lactamase.				Chem Biol 5: 185-96 (1998) Article DOI: 10.1016/s1074-5521(98)90632-9 BindingDB Entry DOI: 10.7270/Q20R9MSC
					More data for this Ligand-Target Pair
Beta-lactamase (Bacteroides fragilis)	BDBM36639 (L-158-817) Show SMILES CC(C)c1nc2c(C)ccnc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C24H23N7/c1-15(2)23-26-21-16(3)12-13-25-24(21)31(23)14-17-8-10-18(11-9-17)19-6-4-5-7-20(19)22-27-29-30-28-22/h4-13,15H,14H2,1-3H3,(H,27,28,29,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	7.0	37
Merck Research Laboratories					Assay Description Enzyme inhibition assay by biphenyl tetrazoles (BPTS)using metallo-beta-lactamase.				Chem Biol 5: 185-96 (1998) Article DOI: 10.1016/s1074-5521(98)90632-9 BindingDB Entry DOI: 10.7270/Q20R9MSC
					More data for this Ligand-Target Pair
Beta-lactamase (Bacteroides fragilis)	BDBM36640 (CHEMBL26514 | L-159,061) Show SMILES CCCCc1nc2ccc(O)cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C26H24N6O2/c1-2-3-8-24-27-23-14-13-19(33)15-22(23)26(34)32(24)16-17-9-11-18(12-10-17)20-6-4-5-7-21(20)25-28-30-31-29-25/h4-7,9-15,33H,2-3,8,16H2,1H3,(H,28,29,30,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	7.0	37
Merck Research Laboratories					Assay Description Enzyme inhibition assay by biphenyl tetrazoles (BPTS)using metallo-beta-lactamase.				Chem Biol 5: 185-96 (1998) Article DOI: 10.1016/s1074-5521(98)90632-9 BindingDB Entry DOI: 10.7270/Q20R9MSC
					More data for this Ligand-Target Pair
Beta-lactamase (Bacteroides fragilis)	BDBM36638 (L-158-678) Show SMILES CCCc1nc2ccc(Cl)nc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C23H20ClN7/c1-2-5-21-25-19-12-13-20(24)26-23(19)31(21)14-15-8-10-16(11-9-15)17-6-3-4-7-18(17)22-27-29-30-28-22/h3-4,6-13H,2,5,14H2,1H3,(H,27,28,29,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	7.0	37
Merck Research Laboratories					Assay Description Enzyme inhibition assay by biphenyl tetrazoles (BPTS)using metallo-beta-lactamase.				Chem Biol 5: 185-96 (1998) Article DOI: 10.1016/s1074-5521(98)90632-9 BindingDB Entry DOI: 10.7270/Q20R9MSC
					More data for this Ligand-Target Pair
Beta-lactamase (Bacteroides fragilis)	BDBM36636 (L-809-559) Show SMILES Cc1nc2ccccc2n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C22H18N6/c1-15-23-20-8-4-5-9-21(20)28(15)14-16-10-12-17(13-11-16)18-6-2-3-7-19(18)22-24-26-27-25-22/h2-13H,14H2,1H3,(H,24,25,26,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	7.0	37
Merck Research Laboratories					Assay Description Enzyme inhibition assay by biphenyl tetrazoles (BPTS)using metallo-beta-lactamase.				Chem Biol 5: 185-96 (1998) Article DOI: 10.1016/s1074-5521(98)90632-9 BindingDB Entry DOI: 10.7270/Q20R9MSC
					More data for this Ligand-Target Pair
Beta-lactamase (Bacteroides fragilis)	BDBM36642 (L-809,370) Show SMILES Oc1ccc2c3CCC=Cc3n(Cc3ccc(cc3)-c3ccccc3-c3nnn[nH]3)c2c1 |c:8| Show InChI InChI=1S/C26H21N5O/c32-19-13-14-22-21-6-3-4-8-24(21)31(25(22)15-19)16-17-9-11-18(12-10-17)20-5-1-2-7-23(20)26-27-29-30-28-26/h1-2,4-5,7-15,32H,3,6,16H2,(H,27,28,29,30)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	7.0	37
Merck Research Laboratories					Assay Description Enzyme inhibition assay by biphenyl tetrazoles (BPTS)using metallo-beta-lactamase.				Chem Biol 5: 185-96 (1998) Article DOI: 10.1016/s1074-5521(98)90632-9 BindingDB Entry DOI: 10.7270/Q20R9MSC
					More data for this Ligand-Target Pair
Beta-lactamase (Bacteroides fragilis)	BDBM36645 (CHEMBL291582 | L-707,581) Show SMILES CCCc1nc(CC)c(C=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C23H24N6O/c1-3-7-22-24-20(4-2)21(15-30)29(22)14-16-10-12-17(13-11-16)18-8-5-6-9-19(18)23-25-27-28-26-23/h5-6,8-13,15H,3-4,7,14H2,1-2H3,(H,25,26,27,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	7.0	37
Merck Research Laboratories					Assay Description Enzyme inhibition assay by biphenyl tetrazoles (BPTS)using metallo-beta-lactamase.				Chem Biol 5: 185-96 (1998) Article DOI: 10.1016/s1074-5521(98)90632-9 BindingDB Entry DOI: 10.7270/Q20R9MSC
					More data for this Ligand-Target Pair
Beta-lactamase (Bacteroides fragilis)	BDBM36637 (L-809-558) Show SMILES C(c1ccc(cc1)-c1ccccc1-c1nnn[nH]1)n1cnc2cccnc12 Show InChI InChI=1S/C20H15N7/c1-2-5-17(19-23-25-26-24-19)16(4-1)15-9-7-14(8-10-15)12-27-13-22-18-6-3-11-21-20(18)27/h1-11,13H,12H2,(H,23,24,25,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+4	n/a	n/a	n/a	n/a	7.0	37
Merck Research Laboratories					Assay Description Enzyme inhibition assay by biphenyl tetrazoles (BPTS)using metallo-beta-lactamase.				Chem Biol 5: 185-96 (1998) Article DOI: 10.1016/s1074-5521(98)90632-9 BindingDB Entry DOI: 10.7270/Q20R9MSC
					More data for this Ligand-Target Pair
Beta-lactamase (Bacteroides fragilis)	BDBM36641 (L-809,339) Show SMILES C(Oc1ccc2c3CCC=Cc3[nH]c2c1)c1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |c:9| Show InChI InChI=1S/C26H21N5O/c1-2-7-23(26-28-30-31-29-26)20(5-1)18-11-9-17(10-12-18)16-32-19-13-14-22-21-6-3-4-8-24(21)27-25(22)15-19/h1-2,4-5,7-15,27H,3,6,16H2,(H,28,29,30,31)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20E+4	n/a	n/a	n/a	n/a	7.0	37
Merck Research Laboratories					Assay Description Enzyme inhibition assay by biphenyl tetrazoles (BPTS)using metallo-beta-lactamase.				Chem Biol 5: 185-96 (1998) Article DOI: 10.1016/s1074-5521(98)90632-9 BindingDB Entry DOI: 10.7270/Q20R9MSC
					More data for this Ligand-Target Pair
Beta-lactamase (Bacteroides fragilis)	BDBM36635 (L-808,509) Show SMILES C(c1ccc(cc1)-c1ccccc1-c1nnn[nH]1)n1cnc2ccccc12 Show InChI InChI=1S/C21H16N6/c1-2-6-18(21-23-25-26-24-21)17(5-1)16-11-9-15(10-12-16)13-27-14-22-19-7-3-4-8-20(19)27/h1-12,14H,13H2,(H,23,24,25,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+5	n/a	n/a	n/a	n/a	7.0	37
Merck Research Laboratories					Assay Description Enzyme inhibition assay by biphenyl tetrazoles (BPTS)using metallo-beta-lactamase.				Chem Biol 5: 185-96 (1998) Article DOI: 10.1016/s1074-5521(98)90632-9 BindingDB Entry DOI: 10.7270/Q20R9MSC
					More data for this Ligand-Target Pair
Beta-lactamase (Bacteroides fragilis)	BDBM36634 (L-158,507) Show SMILES Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C14H12N4/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)14-15-17-18-16-14/h2-9H,1H3,(H,15,16,17,18)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+5	n/a	n/a	n/a	n/a	7.0	37
Merck Research Laboratories					Assay Description Enzyme inhibition assay by biphenyl tetrazoles (BPTS)using metallo-beta-lactamase.				Chem Biol 5: 185-96 (1998) Article DOI: 10.1016/s1074-5521(98)90632-9 BindingDB Entry DOI: 10.7270/Q20R9MSC
					More data for this Ligand-Target Pair
Beta-lactamase (Bacteroides fragilis)	BDBM36633 (L-809,022) Show SMILES c1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C13H10N4/c1-2-6-10(7-3-1)11-8-4-5-9-12(11)13-14-16-17-15-13/h1-9H,(H,14,15,16,17)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.60E+5	n/a	n/a	n/a	n/a	7.0	37
Merck Research Laboratories					Assay Description Enzyme inhibition assay by biphenyl tetrazoles (BPTS)using metallo-beta-lactamase.				Chem Biol 5: 185-96 (1998) Article DOI: 10.1016/s1074-5521(98)90632-9 BindingDB Entry DOI: 10.7270/Q20R9MSC
					More data for this Ligand-Target Pair