Compile Data Set for Download or QSAR

Found 33 hits with Last Name = 'sauvage' and Initial = 'e'   

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
D-alanyl-D-alanine carboxypeptidase (Actinomadura sp. (strain R39))	BDBM50337102 ((S)-1-(2-(Diphenylmethyl)benzamido)ethaneboronate ...) Show SMILES C[C@@H](NC(=O)c1ccccc1C(c1ccccc1)c1ccccc1)B(O)O |r| Show InChI InChI=1S/C22H22BNO3/c1-16(23(26)27)24-22(25)20-15-9-8-14-19(20)21(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-16,21,26-27H,1H3,(H,24,25)/t16-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Actinomadura R39 PBP after 60 mins				ACS Med Chem Lett 2: 219-223 (2011) Article DOI: 10.1021/ml100260x BindingDB Entry DOI: 10.7270/Q25H7GJZ
					More data for this Ligand-Target Pair
D-alanyl-D-alanine carboxypeptidase (Actinomadura sp. (strain R39))	BDBM50337101 ((S)-1-(2-(Naphthalen-2-ylcarbonyl)benzamido)ethane...) Show SMILES C[C@@H](NC(=O)c1ccccc1C(=O)c1ccc2ccccc2c1)B(O)O |r| Show InChI InChI=1S/C20H18BNO4/c1-13(21(25)26)22-20(24)18-9-5-4-8-17(18)19(23)16-11-10-14-6-2-3-7-15(14)12-16/h2-13,25-26H,1H3,(H,22,24)/t13-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	105	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Actinomadura R39 PBP after 60 mins				ACS Med Chem Lett 2: 219-223 (2011) Article DOI: 10.1021/ml100260x BindingDB Entry DOI: 10.7270/Q25H7GJZ
					More data for this Ligand-Target Pair
D-alanyl-D-alanine carboxypeptidase (Actinomadura sp. (strain R39))	BDBM50385268 (CHEMBL2035292) Show SMILES OB(O)CNC(=O)c1ccccc1[N+]([O-])=O Show InChI InChI=1S/C8H9BN2O5/c12-8(10-5-9(13)14)6-3-1-2-4-7(6)11(15)16/h1-4,13-14H,5H2,(H,10,12)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Li£ge Curated by ChEMBL					Assay Description Binding affinity to Actinomadura sp. R39 PBP				Bioorg Med Chem 20: 3915-24 (2012) Article DOI: 10.1016/j.bmc.2012.04.018 BindingDB Entry DOI: 10.7270/Q200034N
					More data for this Ligand-Target Pair
D-alanyl-D-alanine carboxypeptidase (Actinomadura sp. (strain R39))	BDBM50385267 (CHEMBL2035284) Show SMILES COc1cccc(OC)c1C(=O)NCB(O)O Show InChI InChI=1S/C10H14BNO5/c1-16-7-4-3-5-8(17-2)9(7)10(13)12-6-11(14)15/h3-5,14-15H,6H2,1-2H3,(H,12,13)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Li£ge Curated by ChEMBL					Assay Description Binding affinity to Actinomadura sp. R39 PBP				Bioorg Med Chem 20: 3915-24 (2012) Article DOI: 10.1016/j.bmc.2012.04.018 BindingDB Entry DOI: 10.7270/Q200034N
					More data for this Ligand-Target Pair				3D Structure (crystal)
D-alanyl-D-alanine carboxypeptidase (Actinomadura sp. (strain R39))	BDBM50385263 (CHEMBL2035289) Show SMILES OB(O)CNC(=O)c1ccccc1Cl Show InChI InChI=1S/C8H9BClNO3/c10-7-4-2-1-3-6(7)8(12)11-5-9(13)14/h1-4,13-14H,5H2,(H,11,12)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	4.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Li£ge Curated by ChEMBL					Assay Description Binding affinity to Actinomadura sp. R39 PBP				Bioorg Med Chem 20: 3915-24 (2012) Article DOI: 10.1016/j.bmc.2012.04.018 BindingDB Entry DOI: 10.7270/Q200034N
					More data for this Ligand-Target Pair				3D Structure (crystal)
D-alanyl-D-alanine carboxypeptidase (Actinomadura sp. (strain R39))	BDBM39809 (Acylglycineboronic acid, 6) Show SMILES OB(O)CNC(=O)Cc1ccccc1 Show InChI InChI=1S/C9H12BNO3/c12-9(11-7-10(13)14)6-8-4-2-1-3-5-8/h1-5,13-14H,6-7H2,(H,11,12)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	1.25E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Li£ge Curated by ChEMBL					Assay Description Binding affinity to Actinomadura sp. R39 PBP				Bioorg Med Chem 20: 3915-24 (2012) Article DOI: 10.1016/j.bmc.2012.04.018 BindingDB Entry DOI: 10.7270/Q200034N
					More data for this Ligand-Target Pair				3D Structure (crystal)
D-alanyl-D-alanine carboxypeptidase (Actinomadura sp. (strain R39))	BDBM50337101 ((S)-1-(2-(Naphthalen-2-ylcarbonyl)benzamido)ethane...) Show SMILES C[C@@H](NC(=O)c1ccccc1C(=O)c1ccc2ccccc2c1)B(O)O |r| Show InChI InChI=1S/C20H18BNO4/c1-13(21(25)26)22-20(24)18-9-5-4-8-17(18)19(23)16-11-10-14-6-2-3-7-15(14)12-16/h2-13,25-26H,1H3,(H,22,24)/t13-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Actinomadura R39 PBP after 60 mins				ACS Med Chem Lett 2: 219-223 (2011) Article DOI: 10.1021/ml100260x BindingDB Entry DOI: 10.7270/Q25H7GJZ
					More data for this Ligand-Target Pair
D-alanyl-D-alanine carboxypeptidase (Actinomadura sp. (strain R39))	BDBM50337094 ((S)-1-(2-Fluoro-6-phenylbenzamido)ethaneboronic ac...) Show SMILES C[C@@H](NC(=O)c1c(F)cccc1-c1ccccc1)B(O)O |r| Show InChI InChI=1S/C15H15BFNO3/c1-10(16(20)21)18-15(19)14-12(8-5-9-13(14)17)11-6-3-2-4-7-11/h2-10,20-21H,1H3,(H,18,19)/t10-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Actinomadura R39 PBP after 60 mins				ACS Med Chem Lett 2: 219-223 (2011) Article DOI: 10.1021/ml100260x BindingDB Entry DOI: 10.7270/Q25H7GJZ
					More data for this Ligand-Target Pair
D-alanyl-D-alanine carboxypeptidase (Actinomadura sp. (strain R39))	BDBM50337100 ((S)-1-(2-[(Phenylsulfonyl)amino]benzamido)ethanebo...) Show SMILES C[C@@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccccc1)B(O)O |r| Show InChI InChI=1S/C15H17BN2O5S/c1-11(16(20)21)17-15(19)13-9-5-6-10-14(13)18-24(22,23)12-7-3-2-4-8-12/h2-11,18,20-21H,1H3,(H,17,19)/t11-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Actinomadura R39 PBP after 60 mins				ACS Med Chem Lett 2: 219-223 (2011) Article DOI: 10.1021/ml100260x BindingDB Entry DOI: 10.7270/Q25H7GJZ
					More data for this Ligand-Target Pair
D-alanyl-D-alanine carboxypeptidase (Actinomadura sp. (strain R39))	BDBM50337095 ((S)-1-(2,6-Difluorobenzamido)ethaneboronic acid | ...) Show SMILES C[C@@H](NC(=O)c1c(F)cccc1F)B(O)O |r| Show InChI InChI=1S/C9H10BF2NO3/c1-5(10(15)16)13-9(14)8-6(11)3-2-4-7(8)12/h2-5,15-16H,1H3,(H,13,14)/t5-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Actinomadura R39 PBP after 60 mins				ACS Med Chem Lett 2: 219-223 (2011) Article DOI: 10.1021/ml100260x BindingDB Entry DOI: 10.7270/Q25H7GJZ
					More data for this Ligand-Target Pair
D-alanyl-D-alanine carboxypeptidase (Actinomadura sp. (strain R39))	BDBM50385268 (CHEMBL2035292) Show SMILES OB(O)CNC(=O)c1ccccc1[N+]([O-])=O Show InChI InChI=1S/C8H9BN2O5/c12-8(10-5-9(13)14)6-3-1-2-4-7(6)11(15)16/h1-4,13-14H,5H2,(H,10,12)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Li£ge Curated by ChEMBL					Assay Description Inhibition of Actinomadura sp. R39 PBP using S2d as substrate incubated for 60 mins prior to substrate addition by DTNB-based spectrophotometry				Bioorg Med Chem 20: 3915-24 (2012) Article DOI: 10.1016/j.bmc.2012.04.018 BindingDB Entry DOI: 10.7270/Q200034N
					More data for this Ligand-Target Pair
D-alanyl-D-alanine carboxypeptidase (Actinomadura sp. (strain R39))	BDBM50385267 (CHEMBL2035284) Show SMILES COc1cccc(OC)c1C(=O)NCB(O)O Show InChI InChI=1S/C10H14BNO5/c1-16-7-4-3-5-8(17-2)9(7)10(13)12-6-11(14)15/h3-5,14-15H,6H2,1-2H3,(H,12,13)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Li£ge Curated by ChEMBL					Assay Description Inhibition of Actinomadura sp. R39 PBP using S2d as substrate incubated for 60 mins prior to substrate addition by DTNB-based spectrophotometry				Bioorg Med Chem 20: 3915-24 (2012) Article DOI: 10.1016/j.bmc.2012.04.018 BindingDB Entry DOI: 10.7270/Q200034N
					More data for this Ligand-Target Pair				3D Structure (crystal)
D-alanyl-D-alanine carboxypeptidase (Actinomadura sp. (strain R39))	BDBM50337093 ((S)-1-(2-Phenylbenzamido)ethaneboronic acid | CHEM...) Show SMILES C[C@@H](NC(=O)c1ccccc1-c1ccccc1)B(O)O |r| Show InChI InChI=1S/C15H16BNO3/c1-11(16(19)20)17-15(18)14-10-6-5-9-13(14)12-7-3-2-4-8-12/h2-11,19-20H,1H3,(H,17,18)/t11-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Actinomadura R39 PBP after 60 mins				ACS Med Chem Lett 2: 219-223 (2011) Article DOI: 10.1021/ml100260x BindingDB Entry DOI: 10.7270/Q25H7GJZ
					More data for this Ligand-Target Pair
D-alanyl-D-alanine carboxypeptidase (Actinomadura sp. (strain R39))	BDBM50337092 ((S)-1-(2-Benzylbenzamido)ethaneboronic acid | CHEM...) Show SMILES C[C@@H](NC(=O)c1ccccc1Cc1ccccc1)B(O)O |r| Show InChI InChI=1S/C16H18BNO3/c1-12(17(20)21)18-16(19)15-10-6-5-9-14(15)11-13-7-3-2-4-8-13/h2-10,12,20-21H,11H2,1H3,(H,18,19)/t12-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Actinomadura R39 PBP after 60 mins				ACS Med Chem Lett 2: 219-223 (2011) Article DOI: 10.1021/ml100260x BindingDB Entry DOI: 10.7270/Q25H7GJZ
					More data for this Ligand-Target Pair
D-alanyl-D-alanine carboxypeptidase (Actinomadura sp. (strain R39))	BDBM50337091 ((S)-1-(1-Benzothiophene-5-carboxamido)ethaneboroni...) Show SMILES C[C@@H](NC(=O)c1ccc2sccc2c1)B(O)O |r| Show InChI InChI=1S/C11H12BNO3S/c1-7(12(15)16)13-11(14)9-2-3-10-8(6-9)4-5-17-10/h2-7,15-16H,1H3,(H,13,14)/t7-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Actinomadura R39 PBP after 60 mins				ACS Med Chem Lett 2: 219-223 (2011) Article DOI: 10.1021/ml100260x BindingDB Entry DOI: 10.7270/Q25H7GJZ
					More data for this Ligand-Target Pair
D-alanyl-D-alanine carboxypeptidase (Actinomadura sp. (strain R39))	BDBM50337098 ((R)-1-(2,6-Difluorobenzamido)ethaneboronic acid | ...) Show SMILES C[C@H](NC(=O)c1c(F)cccc1F)B(O)O |r| Show InChI InChI=1S/C9H10BF2NO3/c1-5(10(15)16)13-9(14)8-6(11)3-2-4-7(8)12/h2-5,15-16H,1H3,(H,13,14)/t5-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Actinomadura R39 PBP after 60 mins				ACS Med Chem Lett 2: 219-223 (2011) Article DOI: 10.1021/ml100260x BindingDB Entry DOI: 10.7270/Q25H7GJZ
					More data for this Ligand-Target Pair
D-alanyl-D-alanine carboxypeptidase (Actinomadura sp. (strain R39))	BDBM50337096 ((S)-1-(2,6-Dichlorobenzamido)ethaneboronic acid | ...) Show SMILES C[C@@H](NC(=O)c1c(Cl)cccc1Cl)B(O)O |r| Show InChI InChI=1S/C9H10BCl2NO3/c1-5(10(15)16)13-9(14)8-6(11)3-2-4-7(8)12/h2-5,15-16H,1H3,(H,13,14)/t5-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Actinomadura R39 PBP after 60 mins				ACS Med Chem Lett 2: 219-223 (2011) Article DOI: 10.1021/ml100260x BindingDB Entry DOI: 10.7270/Q25H7GJZ
					More data for this Ligand-Target Pair
D-alanyl-D-alanine carboxypeptidase (Actinomadura sp. (strain R39))	BDBM50337099 ((R)-1-(2-Benzylbenzamido)ethaneboronic acid | CHEM...) Show SMILES C[C@H](NC(=O)c1ccccc1Cc1ccccc1)B(O)O |r| Show InChI InChI=1S/C16H18BNO3/c1-12(17(20)21)18-16(19)15-10-6-5-9-14(15)11-13-7-3-2-4-8-13/h2-10,12,20-21H,11H2,1H3,(H,18,19)/t12-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Actinomadura R39 PBP after 60 mins				ACS Med Chem Lett 2: 219-223 (2011) Article DOI: 10.1021/ml100260x BindingDB Entry DOI: 10.7270/Q25H7GJZ
					More data for this Ligand-Target Pair
D-alanyl-D-alanine carboxypeptidase (Actinomadura sp. (strain R39))	BDBM50337090 ((S)-1-(Naphthalene-2-carboxamido)ethaneboronic aci...) Show SMILES C[C@@H](NC(=O)c1ccc2ccccc2c1)B(O)O |r| Show InChI InChI=1S/C13H14BNO3/c1-9(14(17)18)15-13(16)12-7-6-10-4-2-3-5-11(10)8-12/h2-9,17-18H,1H3,(H,15,16)/t9-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Actinomadura R39 PBP after 60 mins				ACS Med Chem Lett 2: 219-223 (2011) Article DOI: 10.1021/ml100260x BindingDB Entry DOI: 10.7270/Q25H7GJZ
					More data for this Ligand-Target Pair
D-alanyl-D-alanine carboxypeptidase (Actinomadura sp. (strain R39))	BDBM50385266 (CHEMBL2035295) Show SMILES OB(O)CNC(=O)c1ccccc1C(F)(F)F Show InChI InChI=1S/C9H9BF3NO3/c11-9(12,13)7-4-2-1-3-6(7)8(15)14-5-10(16)17/h1-4,16-17H,5H2,(H,14,15)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Li£ge Curated by ChEMBL					Assay Description Inhibition of Actinomadura sp. R39 PBP using S2d as substrate incubated for 60 mins prior to substrate addition by DTNB-based spectrophotometry				Bioorg Med Chem 20: 3915-24 (2012) Article DOI: 10.1016/j.bmc.2012.04.018 BindingDB Entry DOI: 10.7270/Q200034N
					More data for this Ligand-Target Pair
D-alanyl-D-alanine carboxypeptidase (Actinomadura sp. (strain R39))	BDBM50385262 (CHEMBL2035285) Show SMILES OB(O)CNC(=O)c1c(F)cccc1F Show InChI InChI=1S/C8H8BF2NO3/c10-5-2-1-3-6(11)7(5)8(13)12-4-9(14)15/h1-3,14-15H,4H2,(H,12,13)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Li£ge Curated by ChEMBL					Assay Description Inhibition of Actinomadura sp. R39 PBP using S2d as substrate incubated for 60 mins prior to substrate addition by DTNB-based spectrophotometry				Bioorg Med Chem 20: 3915-24 (2012) Article DOI: 10.1016/j.bmc.2012.04.018 BindingDB Entry DOI: 10.7270/Q200034N
					More data for this Ligand-Target Pair
D-alanyl-D-alanine carboxypeptidase (Actinomadura sp. (strain R39))	BDBM50337097 ((S)-1-(2-(Propan-2-yl)benzamido)ethaneboronic acid...) Show SMILES CC(C)c1ccccc1C(=O)N[C@H](C)B(O)O |r| Show InChI InChI=1S/C12H18BNO3/c1-8(2)10-6-4-5-7-11(10)12(15)14-9(3)13(16)17/h4-9,16-17H,1-3H3,(H,14,15)/t9-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Actinomadura R39 PBP after 60 mins				ACS Med Chem Lett 2: 219-223 (2011) Article DOI: 10.1021/ml100260x BindingDB Entry DOI: 10.7270/Q25H7GJZ
					More data for this Ligand-Target Pair
D-alanyl-D-alanine carboxypeptidase (Actinomadura sp. (strain R39))	BDBM50385263 (CHEMBL2035289) Show SMILES OB(O)CNC(=O)c1ccccc1Cl Show InChI InChI=1S/C8H9BClNO3/c10-7-4-2-1-3-6(7)8(12)11-5-9(13)14/h1-4,13-14H,5H2,(H,11,12)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	8.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Li£ge Curated by ChEMBL					Assay Description Inhibition of Actinomadura sp. R39 PBP using S2d as substrate incubated for 60 mins prior to substrate addition by DTNB-based spectrophotometry				Bioorg Med Chem 20: 3915-24 (2012) Article DOI: 10.1016/j.bmc.2012.04.018 BindingDB Entry DOI: 10.7270/Q200034N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Penicillin-binding protein 2X (Streptococcus pneumoniae R6)	BDBM50385268 (CHEMBL2035292) Show SMILES OB(O)CNC(=O)c1ccccc1[N+]([O-])=O Show InChI InChI=1S/C8H9BN2O5/c12-8(10-5-9(13)14)6-3-1-2-4-7(6)11(15)16/h1-4,13-14H,5H2,(H,10,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.38E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Li£ge Curated by ChEMBL					Assay Description Inhibition of penicillin-sensitive Streptococcus pneumoniae R6 PBP2x using S2d as substrate incubated for 60 mins prior to substrate addition by DTNB...				Bioorg Med Chem 20: 3915-24 (2012) Article DOI: 10.1016/j.bmc.2012.04.018 BindingDB Entry DOI: 10.7270/Q200034N
					More data for this Ligand-Target Pair
Penicillin-binding protein 2X (Streptococcus pneumoniae R6)	BDBM50385263 (CHEMBL2035289) Show SMILES OB(O)CNC(=O)c1ccccc1Cl Show InChI InChI=1S/C8H9BClNO3/c10-7-4-2-1-3-6(7)8(12)11-5-9(13)14/h1-4,13-14H,5H2,(H,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.62E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Li£ge Curated by ChEMBL					Assay Description Inhibition of penicillin-sensitive Streptococcus pneumoniae R6 PBP2x using S2d as substrate incubated for 60 mins prior to substrate addition by DTNB...				Bioorg Med Chem 20: 3915-24 (2012) Article DOI: 10.1016/j.bmc.2012.04.018 BindingDB Entry DOI: 10.7270/Q200034N
					More data for this Ligand-Target Pair
Penicillin-binding protein 2X (Streptococcus pneumoniae R6)	BDBM50385267 (CHEMBL2035284) Show SMILES COc1cccc(OC)c1C(=O)NCB(O)O Show InChI InChI=1S/C10H14BNO5/c1-16-7-4-3-5-8(17-2)9(7)10(13)12-6-11(14)15/h3-5,14-15H,6H2,1-2H3,(H,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.78E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Li£ge Curated by ChEMBL					Assay Description Inhibition of penicillin-sensitive Streptococcus pneumoniae R6 PBP2x using S2d as substrate incubated for 60 mins prior to substrate addition by DTNB...				Bioorg Med Chem 20: 3915-24 (2012) Article DOI: 10.1016/j.bmc.2012.04.018 BindingDB Entry DOI: 10.7270/Q200034N
					More data for this Ligand-Target Pair
D-alanyl-D-alanine carboxypeptidase (Actinomadura sp. (strain R39))	BDBM39809 (Acylglycineboronic acid, 6) Show SMILES OB(O)CNC(=O)Cc1ccccc1 Show InChI InChI=1S/C9H12BNO3/c12-9(11-7-10(13)14)6-8-4-2-1-3-5-8/h1-5,13-14H,6-7H2,(H,11,12)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	3.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Li£ge Curated by ChEMBL					Assay Description Inhibition of Actinomadura sp. R39 PBP using S2d as substrate incubated for 60 mins prior to substrate addition by DTNB-based spectrophotometry				Bioorg Med Chem 20: 3915-24 (2012) Article DOI: 10.1016/j.bmc.2012.04.018 BindingDB Entry DOI: 10.7270/Q200034N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Penicillin-binding protein 2X (Streptococcus pneumoniae R6)	BDBM50385265 (CHEMBL2035293) Show SMILES OB(O)CNC(=O)Cc1ccccc1[N+]([O-])=O Show InChI InChI=1S/C9H11BN2O5/c13-9(11-6-10(14)15)5-7-3-1-2-4-8(7)12(16)17/h1-4,14-15H,5-6H2,(H,11,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.39E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Li£ge Curated by ChEMBL					Assay Description Inhibition of penicillin-sensitive Streptococcus pneumoniae R6 PBP2x using S2d as substrate incubated for 60 mins prior to substrate addition by DTNB...				Bioorg Med Chem 20: 3915-24 (2012) Article DOI: 10.1016/j.bmc.2012.04.018 BindingDB Entry DOI: 10.7270/Q200034N
					More data for this Ligand-Target Pair
Penicillin-binding protein 2X (Streptococcus pneumoniae R6)	BDBM50385269 (CHEMBL2035301) Show SMILES OB(O)CNC(=O)Cc1ccc(Cl)cc1 Show InChI InChI=1S/C9H11BClNO3/c11-8-3-1-7(2-4-8)5-9(13)12-6-10(14)15/h1-4,14-15H,5-6H2,(H,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.76E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Li£ge Curated by ChEMBL					Assay Description Inhibition of penicillin-sensitive Streptococcus pneumoniae R6 PBP2x using S2d as substrate incubated for 60 mins prior to substrate addition by DTNB...				Bioorg Med Chem 20: 3915-24 (2012) Article DOI: 10.1016/j.bmc.2012.04.018 BindingDB Entry DOI: 10.7270/Q200034N
					More data for this Ligand-Target Pair
Penicillin-binding protein 2X (Streptococcus pneumoniae R6)	BDBM50385266 (CHEMBL2035295) Show SMILES OB(O)CNC(=O)c1ccccc1C(F)(F)F Show InChI InChI=1S/C9H9BF3NO3/c11-9(12,13)7-4-2-1-3-6(7)8(15)14-5-10(16)17/h1-4,16-17H,5H2,(H,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.81E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Li£ge Curated by ChEMBL					Assay Description Inhibition of penicillin-sensitive Streptococcus pneumoniae R6 PBP2x using S2d as substrate incubated for 60 mins prior to substrate addition by DTNB...				Bioorg Med Chem 20: 3915-24 (2012) Article DOI: 10.1016/j.bmc.2012.04.018 BindingDB Entry DOI: 10.7270/Q200034N
					More data for this Ligand-Target Pair
D-alanyl-D-alanine carboxypeptidase (Actinomadura sp. (strain R39))	BDBM50385270 (CHEMBL2035291) Show SMILES OB(O)CNC(=O)c1ccccc1F Show InChI InChI=1S/C8H9BFNO3/c10-7-4-2-1-3-6(7)8(12)11-5-9(13)14/h1-4,13-14H,5H2,(H,11,12)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.05E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Li£ge Curated by ChEMBL					Assay Description Inhibition of Actinomadura sp. R39 PBP using S2d as substrate incubated for 60 mins prior to substrate addition by DTNB-based spectrophotometry				Bioorg Med Chem 20: 3915-24 (2012) Article DOI: 10.1016/j.bmc.2012.04.018 BindingDB Entry DOI: 10.7270/Q200034N
					More data for this Ligand-Target Pair
Penicillin-binding protein 2X (Streptococcus pneumoniae R6)	BDBM50385264 (CHEMBL2035290) Show SMILES OB(O)CNC(=O)Cc1ccccc1Cl Show InChI InChI=1S/C9H11BClNO3/c11-8-4-2-1-3-7(8)5-9(13)12-6-10(14)15/h1-4,14-15H,5-6H2,(H,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.49E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Li£ge Curated by ChEMBL					Assay Description Inhibition of penicillin-sensitive Streptococcus pneumoniae R6 PBP2x using S2d as substrate incubated for 60 mins prior to substrate addition by DTNB...				Bioorg Med Chem 20: 3915-24 (2012) Article DOI: 10.1016/j.bmc.2012.04.018 BindingDB Entry DOI: 10.7270/Q200034N
					More data for this Ligand-Target Pair
Penicillin-binding protein 2X (Streptococcus pneumoniae R6)	BDBM50385262 (CHEMBL2035285) Show SMILES OB(O)CNC(=O)c1c(F)cccc1F Show InChI InChI=1S/C8H8BF2NO3/c10-5-2-1-3-6(11)7(5)8(13)12-4-9(14)15/h1-3,14-15H,4H2,(H,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.06E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Li£ge Curated by ChEMBL					Assay Description Inhibition of penicillin-sensitive Streptococcus pneumoniae R6 PBP2x using S2d as substrate incubated for 60 mins prior to substrate addition by DTNB...				Bioorg Med Chem 20: 3915-24 (2012) Article DOI: 10.1016/j.bmc.2012.04.018 BindingDB Entry DOI: 10.7270/Q200034N
					More data for this Ligand-Target Pair