Compile Data Set for Download or QSAR

Found 223 hits with Last Name = 'tondi' and Initial = 'd'   

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
Thymidylate synthase (Lactobacillus casei)	BDBM50161776 ((S)-2-(5-Benzyloxycarbonylamino-naphthalene-1-sulf...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2cccc3c(NC(=O)OCc4ccccc4)cccc23)C(O)=O)cc1 Show InChI InChI=1S/C39H35N3O9S2/c1-42(2)35-17-7-15-32-30(35)13-9-19-37(32)53(48,49)51-28-22-20-26(21-23-28)24-34(38(43)44)41-52(46,47)36-18-8-12-29-31(36)14-6-16-33(29)40-39(45)50-25-27-10-4-3-5-11-27/h3-23,34,41H,24-25H2,1-2H3,(H,40,45)(H,43,44)/t34-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibitory constant against thymidylate synthase from Lactobacillus casei				J Med Chem 48: 913-6 (2005) Article DOI: 10.1021/jm0491445 BindingDB Entry DOI: 10.7270/Q20R9NXK
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM50161777 ((S)-3-[4-(5-Dimethylamino-naphthalene-1-sulfonylox...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2cccc3cc(ccc23)[N+]([O-])=O)C(O)=O)cc1 Show InChI InChI=1S/C31H27N3O9S2/c1-33(2)28-9-4-8-26-25(28)7-5-11-30(26)45(41,42)43-23-15-12-20(13-16-23)18-27(31(35)36)32-44(39,40)29-10-3-6-21-19-22(34(37)38)14-17-24(21)29/h3-17,19,27,32H,18H2,1-2H3,(H,35,36)/t27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibitory constant against thymidylate synthase from Lactobacillus casei				J Med Chem 48: 913-6 (2005) Article DOI: 10.1021/jm0491445 BindingDB Entry DOI: 10.7270/Q20R9NXK
					More data for this Ligand-Target Pair
Thymidylate synthase (Escherichia coli)	BDBM50161777 ((S)-3-[4-(5-Dimethylamino-naphthalene-1-sulfonylox...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2cccc3cc(ccc23)[N+]([O-])=O)C(O)=O)cc1 Show InChI InChI=1S/C31H27N3O9S2/c1-33(2)28-9-4-8-26-25(28)7-5-11-30(26)45(41,42)43-23-15-12-20(13-16-23)18-27(31(35)36)32-44(39,40)29-10-3-6-21-19-22(34(37)38)14-17-24(21)29/h3-17,19,27,32H,18H2,1-2H3,(H,35,36)/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibitory constant against thymidylate synthase from Escherichia coli				J Med Chem 48: 913-6 (2005) Article DOI: 10.1021/jm0491445 BindingDB Entry DOI: 10.7270/Q20R9NXK
					More data for this Ligand-Target Pair
Thymidylate synthase (Escherichia coli)	BDBM50161775 ((S)-2-(6-Amino-naphthalene-1-sulfonylamino)-3-[4-(...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2cccc3cc(N)ccc23)C(O)=O)cc1 Show InChI InChI=1S/C31H29N3O7S2/c1-34(2)28-9-4-8-26-25(28)7-5-11-30(26)43(39,40)41-23-15-12-20(13-16-23)18-27(31(35)36)33-42(37,38)29-10-3-6-21-19-22(32)14-17-24(21)29/h3-17,19,27,33H,18,32H2,1-2H3,(H,35,36)/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibitory constant against thymidylate synthase from Escherichia coli				J Med Chem 48: 913-6 (2005) Article DOI: 10.1021/jm0491445 BindingDB Entry DOI: 10.7270/Q20R9NXK
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM50161775 ((S)-2-(6-Amino-naphthalene-1-sulfonylamino)-3-[4-(...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2cccc3cc(N)ccc23)C(O)=O)cc1 Show InChI InChI=1S/C31H29N3O7S2/c1-34(2)28-9-4-8-26-25(28)7-5-11-30(26)43(39,40)41-23-15-12-20(13-16-23)18-27(31(35)36)33-42(37,38)29-10-3-6-21-19-22(32)14-17-24(21)29/h3-17,19,27,33H,18,32H2,1-2H3,(H,35,36)/t27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibitory constant against thymidylate synthase from Lactobacillus casei				J Med Chem 48: 913-6 (2005) Article DOI: 10.1021/jm0491445 BindingDB Entry DOI: 10.7270/Q20R9NXK
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50161778 ((S)-3-[4-(5-Dimethylamino-naphthalene-1-sulfonylox...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2cc3nnoc3c3ccccc23)C(O)=O)cc1 Show InChI InChI=1S/C31H26N4O8S2/c1-35(2)27-11-5-10-22-21(27)9-6-12-28(22)45(40,41)43-20-15-13-19(14-16-20)17-26(31(36)37)33-44(38,39)29-18-25-30(42-34-32-25)24-8-4-3-7-23(24)29/h3-16,18,26,33H,17H2,1-2H3,(H,36,37)/t26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibitory constant against human thymidylate synthase				J Med Chem 48: 913-6 (2005) Article DOI: 10.1021/jm0491445 BindingDB Entry DOI: 10.7270/Q20R9NXK
					More data for this Ligand-Target Pair
Thymidylate synthase (Escherichia coli)	BDBM50161780 ((S)-2-(4-Benzyloxycarbonylamino-naphthalene-1-sulf...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2ccc(NC(=O)OCc3ccccc3)c3ccccc23)C(O)=O)cc1 Show InChI InChI=1S/C39H35N3O9S2/c1-42(2)35-16-8-15-32-30(35)14-9-17-37(32)53(48,49)51-28-20-18-26(19-21-28)24-34(38(43)44)41-52(46,47)36-23-22-33(29-12-6-7-13-31(29)36)40-39(45)50-25-27-10-4-3-5-11-27/h3-23,34,41H,24-25H2,1-2H3,(H,40,45)(H,43,44)/t34-/m0/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibitory constant against thymidylate synthase from Escherichia coli				J Med Chem 48: 913-6 (2005) Article DOI: 10.1021/jm0491445 BindingDB Entry DOI: 10.7270/Q20R9NXK
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM50161778 ((S)-3-[4-(5-Dimethylamino-naphthalene-1-sulfonylox...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2cc3nnoc3c3ccccc23)C(O)=O)cc1 Show InChI InChI=1S/C31H26N4O8S2/c1-35(2)27-11-5-10-22-21(27)9-6-12-28(22)45(40,41)43-20-15-13-19(14-16-20)17-26(31(36)37)33-44(38,39)29-18-25-30(42-34-32-25)24-8-4-3-7-23(24)29/h3-16,18,26,33H,17H2,1-2H3,(H,36,37)/t26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibitory constant against thymidylate synthase from Lactobacillus casei				J Med Chem 48: 913-6 (2005) Article DOI: 10.1021/jm0491445 BindingDB Entry DOI: 10.7270/Q20R9NXK
					More data for this Ligand-Target Pair
Thymidylate synthase (Lactobacillus casei)	BDBM50161780 ((S)-2-(4-Benzyloxycarbonylamino-naphthalene-1-sulf...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2ccc(NC(=O)OCc3ccccc3)c3ccccc23)C(O)=O)cc1 Show InChI InChI=1S/C39H35N3O9S2/c1-42(2)35-16-8-15-32-30(35)14-9-17-37(32)53(48,49)51-28-20-18-26(19-21-28)24-34(38(43)44)41-52(46,47)36-23-22-33(29-12-6-7-13-31(29)36)40-39(45)50-25-27-10-4-3-5-11-27/h3-23,34,41H,24-25H2,1-2H3,(H,40,45)(H,43,44)/t34-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibitory constant against thymidylate synthase from Lactobacillus casei				J Med Chem 48: 913-6 (2005) Article DOI: 10.1021/jm0491445 BindingDB Entry DOI: 10.7270/Q20R9NXK
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50161777 ((S)-3-[4-(5-Dimethylamino-naphthalene-1-sulfonylox...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2cccc3cc(ccc23)[N+]([O-])=O)C(O)=O)cc1 Show InChI InChI=1S/C31H27N3O9S2/c1-33(2)28-9-4-8-26-25(28)7-5-11-30(26)45(41,42)43-23-15-12-20(13-16-23)18-27(31(35)36)32-44(39,40)29-10-3-6-21-19-22(34(37)38)14-17-24(21)29/h3-17,19,27,32H,18H2,1-2H3,(H,35,36)/t27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibitory constant against human thymidylate synthase				J Med Chem 48: 913-6 (2005) Article DOI: 10.1021/jm0491445 BindingDB Entry DOI: 10.7270/Q20R9NXK
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50161775 ((S)-2-(6-Amino-naphthalene-1-sulfonylamino)-3-[4-(...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2cccc3cc(N)ccc23)C(O)=O)cc1 Show InChI InChI=1S/C31H29N3O7S2/c1-34(2)28-9-4-8-26-25(28)7-5-11-30(26)43(39,40)41-23-15-12-20(13-16-23)18-27(31(35)36)33-42(37,38)29-10-3-6-21-19-22(32)14-17-24(21)29/h3-17,19,27,33H,18,32H2,1-2H3,(H,35,36)/t27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibitory constant against human thymidylate synthase				J Med Chem 48: 913-6 (2005) Article DOI: 10.1021/jm0491445 BindingDB Entry DOI: 10.7270/Q20R9NXK
					More data for this Ligand-Target Pair
Thymidylate synthase (Escherichia coli)	BDBM50161776 ((S)-2-(5-Benzyloxycarbonylamino-naphthalene-1-sulf...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2cccc3c(NC(=O)OCc4ccccc4)cccc23)C(O)=O)cc1 Show InChI InChI=1S/C39H35N3O9S2/c1-42(2)35-17-7-15-32-30(35)13-9-19-37(32)53(48,49)51-28-22-20-26(21-23-28)24-34(38(43)44)41-52(46,47)36-18-8-12-29-31(36)14-6-16-33(29)40-39(45)50-25-27-10-4-3-5-11-27/h3-23,34,41H,24-25H2,1-2H3,(H,40,45)(H,43,44)/t34-/m0/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibitory constant against thymidylate synthase from Escherichia coli				J Med Chem 48: 913-6 (2005) Article DOI: 10.1021/jm0491445 BindingDB Entry DOI: 10.7270/Q20R9NXK
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50225373 (CHEMBL396872 | pinacol 5-[(3,4-dichlorophenylamino...) Show SMILES OB(O)c1cc2cc(CNc3ccc(Cl)c(Cl)c3)ccc2s1 Show InChI InChI=1S/C15H12BCl2NO2S/c17-12-3-2-11(7-13(12)18)19-8-9-1-4-14-10(5-9)6-15(22-14)16(20)21/h1-7,19-21H,8H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Escherichia coli beta-lactamase				J Med Chem 50: 5644-54 (2007) Article DOI: 10.1021/jm070643q BindingDB Entry DOI: 10.7270/Q21N80W5
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50161780 ((S)-2-(4-Benzyloxycarbonylamino-naphthalene-1-sulf...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2ccc(NC(=O)OCc3ccccc3)c3ccccc23)C(O)=O)cc1 Show InChI InChI=1S/C39H35N3O9S2/c1-42(2)35-16-8-15-32-30(35)14-9-17-37(32)53(48,49)51-28-20-18-26(19-21-28)24-34(38(43)44)41-52(46,47)36-23-22-33(29-12-6-7-13-31(29)36)40-39(45)50-25-27-10-4-3-5-11-27/h3-23,34,41H,24-25H2,1-2H3,(H,40,45)(H,43,44)/t34-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibitory constant against human thymidylate synthase				J Med Chem 48: 913-6 (2005) Article DOI: 10.1021/jm0491445 BindingDB Entry DOI: 10.7270/Q20R9NXK
					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50161776 ((S)-2-(5-Benzyloxycarbonylamino-naphthalene-1-sulf...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2cccc3c(NC(=O)OCc4ccccc4)cccc23)C(O)=O)cc1 Show InChI InChI=1S/C39H35N3O9S2/c1-42(2)35-17-7-15-32-30(35)13-9-19-37(32)53(48,49)51-28-22-20-26(21-23-28)24-34(38(43)44)41-52(46,47)36-18-8-12-29-31(36)14-6-16-33(29)40-39(45)50-25-27-10-4-3-5-11-27/h3-23,34,41H,24-25H2,1-2H3,(H,40,45)(H,43,44)/t34-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibitory constant against human thymidylate synthase				J Med Chem 48: 913-6 (2005) Article DOI: 10.1021/jm0491445 BindingDB Entry DOI: 10.7270/Q20R9NXK
					More data for this Ligand-Target Pair
Thymidylate synthase (Escherichia coli)	BDBM50161778 ((S)-3-[4-(5-Dimethylamino-naphthalene-1-sulfonylox...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Oc1ccc(C[C@H](NS(=O)(=O)c2cc3nnoc3c3ccccc23)C(O)=O)cc1 Show InChI InChI=1S/C31H26N4O8S2/c1-35(2)27-11-5-10-22-21(27)9-6-12-28(22)45(40,41)43-20-15-13-19(14-16-20)17-26(31(36)37)33-44(38,39)29-18-25-30(42-34-32-25)24-8-4-3-7-23(24)29/h3-16,18,26,33H,17H2,1-2H3,(H,36,37)/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibitory constant against thymidylate synthase from Escherichia coli				J Med Chem 48: 913-6 (2005) Article DOI: 10.1021/jm0491445 BindingDB Entry DOI: 10.7270/Q20R9NXK
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM26139 (1-benzothiophen-2-ylboranediol | 1-benzothiophen-2...) Show SMILES OB(O)c1cc2ccccc2s1 Show InChI InChI=1S/C8H7BO2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5,10-11H	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Escherichia coli beta-lactamase				J Med Chem 50: 5644-54 (2007) Article DOI: 10.1021/jm070643q BindingDB Entry DOI: 10.7270/Q21N80W5
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50225393 (CHEMBL235526 | pinacol 5-[(carboxymethylamino)meth...) Show SMILES OB(O)c1cc2cc(CNCC(O)=O)ccc2s1 Show InChI InChI=1S/C11H12BNO4S/c14-11(15)6-13-5-7-1-2-9-8(3-7)4-10(18-9)12(16)17/h1-4,13,16-17H,5-6H2,(H,14,15)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Escherichia coli beta-lactamase				J Med Chem 50: 5644-54 (2007) Article DOI: 10.1021/jm070643q BindingDB Entry DOI: 10.7270/Q21N80W5
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50225381 (CHEMBL235293 | pinacol5-{[4-(1-hydroxy-2,2,2-trifl...) Show SMILES OB(O)c1cc2cc(CNc3ccc(cc3)C(O)(C(F)(F)F)C(F)(F)F)ccc2s1 Show InChI InChI=1S/C18H14BF6NO3S/c20-17(21,22)16(27,18(23,24)25)12-2-4-13(5-3-12)26-9-10-1-6-14-11(7-10)8-15(30-14)19(28)29/h1-8,26-29H,9H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Escherichia coli beta-lactamase				J Med Chem 50: 5644-54 (2007) Article DOI: 10.1021/jm070643q BindingDB Entry DOI: 10.7270/Q21N80W5
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50225371 (5-methyl-benzo[b]thiophen-2-ylboronic acid | CHEMB...) Show SMILES Cc1ccc2sc(cc2c1)B(O)O Show InChI InChI=1S/C9H9BO2S/c1-6-2-3-8-7(4-6)5-9(13-8)10(11)12/h2-5,11-12H,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Escherichia coli beta-lactamase				J Med Chem 50: 5644-54 (2007) Article DOI: 10.1021/jm070643q BindingDB Entry DOI: 10.7270/Q21N80W5
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50225376 (CHEMBL397522 | pinacol 5-bromomethylbenzo[b]thioph...) Show SMILES OB(O)c1cc2cc(Br)ccc2s1 Show InChI InChI=1S/C8H6BBrO2S/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4,11-12H	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Escherichia coli beta-lactamase				J Med Chem 50: 5644-54 (2007) Article DOI: 10.1021/jm070643q BindingDB Entry DOI: 10.7270/Q21N80W5
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50225378 (CHEMBL235073 | pinacol 5-diformylaminomethylbenzo[...) Show SMILES OB(O)c1cc2cc(CN(C=O)C=O)ccc2s1 Show InChI InChI=1S/C11H10BNO4S/c14-6-13(7-15)5-8-1-2-10-9(3-8)4-11(18-10)12(16)17/h1-4,6-7,16-17H,5H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Escherichia coli beta-lactamase				J Med Chem 50: 5644-54 (2007) Article DOI: 10.1021/jm070643q BindingDB Entry DOI: 10.7270/Q21N80W5
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50225379 (CHEMBL235292 | pinacol 5-[(3-nitrophenylamino)meth...) Show SMILES OB(O)c1cc2cc(CNc3cccc(c3)[N+]([O-])=O)ccc2s1 Show InChI InChI=1S/C15H13BN2O4S/c19-16(20)15-7-11-6-10(4-5-14(11)23-15)9-17-12-2-1-3-13(8-12)18(21)22/h1-8,17,19-20H,9H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Escherichia coli beta-lactamase				J Med Chem 50: 5644-54 (2007) Article DOI: 10.1021/jm070643q BindingDB Entry DOI: 10.7270/Q21N80W5
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50049757 (()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...) Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Degli Studi di Milano Curated by ChEMBL					Assay Description Cholinergic interactions was measured as displaced [3H]cystine from Nicotinic acetylcholine receptor alpha4-beta2 in rat brain membranes				J Med Chem 41: 674-81 (1998) Article DOI: 10.1021/jm970427p BindingDB Entry DOI: 10.7270/Q2CV4K7B
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50225392 (5-hydroxymethylbenzo[b]thiophen-2-ylboronic acid |...) Show SMILES OB(O)c1cc2cc(O)ccc2s1 Show InChI InChI=1S/C8H7BO3S/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4,10-12H	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Escherichia coli beta-lactamase				J Med Chem 50: 5644-54 (2007) Article DOI: 10.1021/jm070643q BindingDB Entry DOI: 10.7270/Q21N80W5
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50225380 (CHEMBL235308 | pinacol 5-[(phenylamino3-boronicaci...) Show SMILES OB(O)c1cc2cc(CNc3cccc(c3)B(O)O)ccc2s1 Show InChI InChI=1S/C15H15B2NO4S/c19-16(20)12-2-1-3-13(8-12)18-9-10-4-5-14-11(6-10)7-15(23-14)17(21)22/h1-8,18-22H,9H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Escherichia coli beta-lactamase				J Med Chem 50: 5644-54 (2007) Article DOI: 10.1021/jm070643q BindingDB Entry DOI: 10.7270/Q21N80W5
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM39849 (Amide and sulfonamide derivatives, 33) Show SMILES OB(O)c1cccc(NS(=O)(=O)c2cccc(c2)S(=O)(=O)Nc2cccc(c2)B(O)O)c1 Show InChI InChI=1S/C18H18B2N2O8S2/c23-19(24)13-4-1-6-15(10-13)21-31(27,28)17-8-3-9-18(12-17)32(29,30)22-16-7-2-5-14(11-16)20(25)26/h1-12,21-26H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Northwestern University					Assay Description Inhibition assay against beta lactamase enzymes.				Chem Biol 8: 593-611 (2001) Article DOI: 10.1016/S1074-5521(01)00034-5 BindingDB Entry DOI: 10.7270/Q27M06BZ
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50225383 (CHEMBL236203 | pinacol 5-phenylsulphanylmethylbenz...) Show SMILES OB(O)c1cc2cc(CSc3ccccc3)ccc2s1 Show InChI InChI=1S/C15H13BO2S2/c17-16(18)15-9-12-8-11(6-7-14(12)20-15)10-19-13-4-2-1-3-5-13/h1-9,17-18H,10H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Escherichia coli beta-lactamase				J Med Chem 50: 5644-54 (2007) Article DOI: 10.1021/jm070643q BindingDB Entry DOI: 10.7270/Q21N80W5
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50115616 (3-(4-BENZENESULFONYL-THIOPHENE-2-SULFONYLAMINO)-PH...) Show SMILES OB(O)c1cccc(NS(=O)(=O)c2cc(cs2)S(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C16H14BNO6S3/c19-17(20)12-5-4-6-13(9-12)18-27(23,24)16-10-15(11-25-16)26(21,22)14-7-2-1-3-8-14/h1-11,18-20H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem	MMDB PDB Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Northwestern University					Assay Description Inhibition assay against beta lactamase enzymes.				Chem Biol 8: 593-611 (2001) Article DOI: 10.1016/S1074-5521(01)00034-5 BindingDB Entry DOI: 10.7270/Q27M06BZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-lactamase (Escherichia coli)	BDBM39856 (Amide and sulfonamide derivatives, 41) Show SMILES OB(O)c1cccc(NS(=O)(=O)c2cccc(NS(=O)(=O)c3ccc(cc3)C(O)=O)c2)c1 Show InChI InChI=1S/C19H17BN2O8S2/c23-19(24)13-7-9-17(10-8-13)31(27,28)22-16-5-2-6-18(12-16)32(29,30)21-15-4-1-3-14(11-15)20(25)26/h1-12,21-22,25-26H,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Northwestern University					Assay Description Inhibition assay against beta lactamase enzymes.				Chem Biol 8: 593-611 (2001) Article DOI: 10.1016/S1074-5521(01)00034-5 BindingDB Entry DOI: 10.7270/Q27M06BZ
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50225389 (5-imidazol-1-yl-methylbenzo[b]thiophen-2-ylboronic...) Show SMILES OB(O)c1cc2cc(Cn3ccnc3)ccc2s1 Show InChI InChI=1S/C12H11BN2O2S/c16-13(17)12-6-10-5-9(1-2-11(10)18-12)7-15-4-3-14-8-15/h1-6,8,16-17H,7H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Escherichia coli beta-lactamase				J Med Chem 50: 5644-54 (2007) Article DOI: 10.1021/jm070643q BindingDB Entry DOI: 10.7270/Q21N80W5
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50225377 (CHEMBL237390 | pinacol 5-(3,4-dichlorophenoxymethy...) Show SMILES OB(O)c1cc2cc(COc3ccc(Cl)c(Cl)c3)ccc2s1 Show InChI InChI=1S/C15H11BCl2O3S/c17-12-3-2-11(7-13(12)18)21-8-9-1-4-14-10(5-9)6-15(22-14)16(19)20/h1-7,19-20H,8H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	83	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Escherichia coli beta-lactamase				J Med Chem 50: 5644-54 (2007) Article DOI: 10.1021/jm070643q BindingDB Entry DOI: 10.7270/Q21N80W5
					More data for this Ligand-Target Pair
Thymidylate synthase (Escherichia coli)	BDBM50008294 (2-(4-(((2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)m...) Show SMILES Nc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cc2c(=O)[nH]1 Show InChI InChI=1S/C24H23N5O6/c1-2-11-29(13-14-3-8-18-17(12-14)22(33)28-24(25)27-18)16-6-4-15(5-7-16)21(32)26-19(23(34)35)9-10-20(30)31/h1,3-8,12,19H,9-11,13H2,(H,26,32)(H,30,31)(H,34,35)(H3,25,27,28,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Modena e Reggio Emilia Curated by ChEMBL					Assay Description In vitro inhibition of Lactobacillus casei Thymidylate synthase.				J Med Chem 42: 2112-24 (1999) Article DOI: 10.1021/jm9900016 BindingDB Entry DOI: 10.7270/Q23F4NT5
					More data for this Ligand-Target Pair				3D Structure (docked)
Beta-lactamase (Escherichia coli)	BDBM39819 (Amide and sulfonamide derivatives, 3) Show SMILES Cc1noc(C)c1S(=O)(=O)Nc1cccc(c1)B(O)O Show InChI InChI=1S/C11H13BN2O5S/c1-7-11(8(2)19-13-7)20(17,18)14-10-5-3-4-9(6-10)12(15)16/h3-6,14-16H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Northwestern University					Assay Description Inhibition assay against beta lactamase enzymes.				Chem Biol 8: 593-611 (2001) Article DOI: 10.1016/S1074-5521(01)00034-5 BindingDB Entry DOI: 10.7270/Q27M06BZ
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM39820 (Amide and sulfonamide derivatives, 4) Show SMILES OB(O)c1cccc(NS(=O)(=O)c2ccc(s2)S(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C16H14BNO6S3/c19-17(20)12-5-4-6-13(11-12)18-27(23,24)16-10-9-15(25-16)26(21,22)14-7-2-1-3-8-14/h1-11,18-20H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Northwestern University					Assay Description Inhibition assay against beta lactamase enzymes.				Chem Biol 8: 593-611 (2001) Article DOI: 10.1016/S1074-5521(01)00034-5 BindingDB Entry DOI: 10.7270/Q27M06BZ
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM39856 (Amide and sulfonamide derivatives, 41) Show SMILES OB(O)c1cccc(NS(=O)(=O)c2cccc(NS(=O)(=O)c3ccc(cc3)C(O)=O)c2)c1 Show InChI InChI=1S/C19H17BN2O8S2/c23-19(24)13-7-9-17(10-8-13)31(27,28)22-16-5-2-6-18(12-16)32(29,30)21-15-4-1-3-14(11-15)20(25)26/h1-12,21-22,25-26H,(H,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Northwestern University					Assay Description Inhibition assay against beta lactamase enzymes.				Chem Biol 8: 593-611 (2001) Article DOI: 10.1016/S1074-5521(01)00034-5 BindingDB Entry DOI: 10.7270/Q27M06BZ
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50225374 (5 [(1,2,4-triazol-1-ylmethyl]benzo[b]thiophen-2-yl...) Show SMILES Nn1cn[n+](Cc2ccc3sc(cc3c2)B(O)O)c1 Show InChI InChI=1S/C11H12BN4O2S/c13-15-6-14-16(7-15)5-8-1-2-10-9(3-8)4-11(19-10)12(17)18/h1-4,6-7,17-18H,5,13H2/q+1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Escherichia coli beta-lactamase				J Med Chem 50: 5644-54 (2007) Article DOI: 10.1021/jm070643q BindingDB Entry DOI: 10.7270/Q21N80W5
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM39850 (Amide and sulfonamide derivatives, 34) Show SMILES OB(O)c1cccc(NS(=O)(=O)c2cc(Cl)c(Oc3ccc(cc3Cl)N(=O)=O)c(Cl)c2)c1 Show InChI InChI=1S/C18H12BCl3N2O7S/c20-14-7-12(24(27)28)4-5-17(14)31-18-15(21)8-13(9-16(18)22)32(29,30)23-11-3-1-2-10(6-11)19(25)26/h1-9,23,25-26H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Northwestern University					Assay Description Inhibition assay against beta lactamase enzymes.				Chem Biol 8: 593-611 (2001) Article DOI: 10.1016/S1074-5521(01)00034-5 BindingDB Entry DOI: 10.7270/Q27M06BZ
					More data for this Ligand-Target Pair
Thymidylate synthase (Escherichia coli)	BDBM50077837 (3-(3-Chloro-4-hydroxy-phenyl)-3-hydroxy-6-nitro-3H...) Show SMILES Oc1ccc(cc1Cl)C1(O)OC(=O)c2cccc3c(ccc1c23)[N+]([O-])=O Show InChI InChI=1S/C18H10ClNO6/c19-13-8-9(4-7-15(13)21)18(23)12-5-6-14(20(24)25)10-2-1-3-11(16(10)12)17(22)26-18/h1-8,21,23H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università di Modena e Reggio Emilia Curated by ChEMBL					Assay Description In vitro inhibition of Lactobacillus casei Thymidylate synthase.				J Med Chem 42: 2112-24 (1999) Article DOI: 10.1021/jm9900016 BindingDB Entry DOI: 10.7270/Q23F4NT5
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50225390 (CHEMBL235523 | pinacol 5-[(4-acetylphenylamino)met...) Show SMILES CC(=O)c1ccc(NCc2ccc3sc(cc3c2)B(O)O)cc1 Show InChI InChI=1S/C17H16BNO3S/c1-11(20)13-3-5-15(6-4-13)19-10-12-2-7-16-14(8-12)9-17(23-16)18(21)22/h2-9,19,21-22H,10H2,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Escherichia coli beta-lactamase				J Med Chem 50: 5644-54 (2007) Article DOI: 10.1021/jm070643q BindingDB Entry DOI: 10.7270/Q21N80W5
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50225386 (CHEMBL396871 | pinacol 5-phenoxymethylbenzo[b]thio...) Show SMILES OB(O)c1cc2cc(COc3ccccc3)ccc2s1 Show InChI InChI=1S/C15H13BO3S/c17-16(18)15-9-12-8-11(6-7-14(12)20-15)10-19-13-4-2-1-3-5-13/h1-9,17-18H,10H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Escherichia coli beta-lactamase				J Med Chem 50: 5644-54 (2007) Article DOI: 10.1021/jm070643q BindingDB Entry DOI: 10.7270/Q21N80W5
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50115616 (3-(4-BENZENESULFONYL-THIOPHENE-2-SULFONYLAMINO)-PH...) Show SMILES OB(O)c1cccc(NS(=O)(=O)c2cc(cs2)S(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C16H14BNO6S3/c19-17(20)12-5-4-6-13(9-12)18-27(23,24)16-10-15(11-25-16)26(21,22)14-7-2-1-3-8-14/h1-11,18-20H	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Northwestern University					Assay Description Inhibition assay against beta lactamase enzymes.				Chem Biol 8: 593-611 (2001) Article DOI: 10.1016/S1074-5521(01)00034-5 BindingDB Entry DOI: 10.7270/Q27M06BZ
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50225387 (CHEMBL396889 | pinacol 5-[(3,4-dimethoxyphenylamin...) Show SMILES COc1ccc(NCc2ccc3sc(cc3c2)B(O)O)cc1OC Show InChI InChI=1S/C17H18BNO4S/c1-22-14-5-4-13(9-15(14)23-2)19-10-11-3-6-16-12(7-11)8-17(24-16)18(20)21/h3-9,19-21H,10H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Escherichia coli beta-lactamase				J Med Chem 50: 5644-54 (2007) Article DOI: 10.1021/jm070643q BindingDB Entry DOI: 10.7270/Q21N80W5
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50225375 (CHEMBL396390 | pinacol 5-aminomethylbenzo[b]thioph...) Show SMILES Nc1ccc2sc(cc2c1)B(O)O Show InChI InChI=1S/C8H8BNO2S/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4,11-12H,10H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Escherichia coli beta-lactamase				J Med Chem 50: 5644-54 (2007) Article DOI: 10.1021/jm070643q BindingDB Entry DOI: 10.7270/Q21N80W5
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM39857 (Amide and sulfonamide derivatives, 42) Show SMILES OB(O)c1cccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(cc3)C(O)=O)cc2)c1 Show InChI InChI=1S/C19H17BN2O8S2/c23-19(24)13-4-8-17(9-5-13)31(27,28)21-15-6-10-18(11-7-15)32(29,30)22-16-3-1-2-14(12-16)20(25)26/h1-12,21-22,25-26H,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Northwestern University					Assay Description Inhibition assay against beta lactamase enzymes.				Chem Biol 8: 593-611 (2001) Article DOI: 10.1016/S1074-5521(01)00034-5 BindingDB Entry DOI: 10.7270/Q27M06BZ
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM39849 (Amide and sulfonamide derivatives, 33) Show SMILES OB(O)c1cccc(NS(=O)(=O)c2cccc(c2)S(=O)(=O)Nc2cccc(c2)B(O)O)c1 Show InChI InChI=1S/C18H18B2N2O8S2/c23-19(24)13-4-1-6-15(10-13)21-31(27,28)17-8-3-9-18(12-17)32(29,30)22-16-7-2-5-14(11-16)20(25)26/h1-12,21-26H	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Northwestern University					Assay Description Inhibition assay against beta lactamase enzymes.				Chem Biol 8: 593-611 (2001) Article DOI: 10.1016/S1074-5521(01)00034-5 BindingDB Entry DOI: 10.7270/Q27M06BZ
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50225384 (5-formylaminomethylbenzo[b]thiophen-2-ylboronic ac...) Show SMILES OB(O)c1cc2cc(CNC=O)ccc2s1 Show InChI InChI=1S/C10H10BNO3S/c13-6-12-5-7-1-2-9-8(3-7)4-10(16-9)11(14)15/h1-4,6,14-15H,5H2,(H,12,13)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Escherichia coli beta-lactamase				J Med Chem 50: 5644-54 (2007) Article DOI: 10.1021/jm070643q BindingDB Entry DOI: 10.7270/Q21N80W5
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM39851 (Amide and sulfonamide derivatives, 35) Show SMILES OB(O)c1cccc(NS(=O)(=O)c2cccc(NC(=O)c3ccc(cc3)C(O)=O)c2)c1 Show InChI InChI=1S/C20H17BN2O7S/c24-19(13-7-9-14(10-8-13)20(25)26)22-16-4-2-6-18(12-16)31(29,30)23-17-5-1-3-15(11-17)21(27)28/h1-12,23,27-28H,(H,22,24)(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	450	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Northwestern University					Assay Description Inhibition assay against beta lactamase enzymes.				Chem Biol 8: 593-611 (2001) Article DOI: 10.1016/S1074-5521(01)00034-5 BindingDB Entry DOI: 10.7270/Q27M06BZ
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM39821 (Amide and sulfonamide derivatives, 5) Show SMILES CN(C)c1ccc(cc1)\N=N\c1ccc(cc1)S(=O)(=O)Nc1cccc(c1)B(O)O Show InChI InChI=1S/C20H21BN4O4S/c1-25(2)19-10-6-16(7-11-19)22-23-17-8-12-20(13-9-17)30(28,29)24-18-5-3-4-15(14-18)21(26)27/h3-14,24,26-27H,1-2H3/b23-22+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	530	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Northwestern University					Assay Description Inhibition assay against beta lactamase enzymes.				Chem Biol 8: 593-611 (2001) Article DOI: 10.1016/S1074-5521(01)00034-5 BindingDB Entry DOI: 10.7270/Q27M06BZ
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50225391 (CHEMBL237181 | pinacol 5-benzyloxymethylbenzo[b]th...) Show SMILES OB(O)c1cc2cc(COCc3ccccc3)ccc2s1 Show InChI InChI=1S/C16H15BO3S/c18-17(19)16-9-14-8-13(6-7-15(14)21-16)11-20-10-12-4-2-1-3-5-12/h1-9,18-19H,10-11H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Inhibition of Escherichia coli beta-lactamase				J Med Chem 50: 5644-54 (2007) Article DOI: 10.1021/jm070643q BindingDB Entry DOI: 10.7270/Q21N80W5
					More data for this Ligand-Target Pair

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