Compile Data Set for Download or QSAR

Found 71 hits Enz. Inhib. hit(s) with all data for entry = 50009236   

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
Dipeptidase 1 (GUINEA PIG)	BDBM50042574 (5-Butyl-2-(2,5-dichloro-phenyl)-4-[2'-(1H-tetrazol...) Show SMILES CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1cc(Cl)ccc1Cl Show InChI InChI=1S/C30H28Cl2N6O2/c1-3-5-10-26-24(28(30(39)40-4-2)38(35-26)27-18-21(31)15-16-25(27)32)17-19-11-13-20(14-12-19)22-8-6-7-9-23(22)29-33-36-37-34-29/h6-9,11-16,18H,3-5,10,17H2,1-2H3,(H,33,34,36,37)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro apparent inhibition constant of porcine renal Dehydropeptidase-1.				Bioorg Med Chem Lett 9: 2741-6 (1999) BindingDB Entry DOI: 10.7270/Q24Q7T6C
					More data for this Ligand-Target Pair
Dipeptidase 1 (GUINEA PIG)	BDBM50042531 (5-Butyl-2-(2,3-dichloro-phenyl)-4-[2'-(1H-tetrazol...) Show SMILES CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1cccc(Cl)c1Cl Show InChI InChI=1S/C30H28Cl2N6O2/c1-3-5-12-25-23(28(30(39)40-4-2)38(35-25)26-13-8-11-24(31)27(26)32)18-19-14-16-20(17-15-19)21-9-6-7-10-22(21)29-33-36-37-34-29/h6-11,13-17H,3-5,12,18H2,1-2H3,(H,33,34,36,37)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.70E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro apparent inhibition constant of porcine renal Dehydropeptidase-1.				Bioorg Med Chem Lett 9: 2741-6 (1999) BindingDB Entry DOI: 10.7270/Q24Q7T6C
					More data for this Ligand-Target Pair
Dipeptidase 1 (GUINEA PIG)	BDBM50042561 (5-Butyl-2-(2-chloro-phenyl)-4-[2'-(1H-tetrazol-5-y...) Show SMILES CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccc1Cl Show InChI InChI=1S/C30H29ClN6O2/c1-3-5-13-26-24(28(30(38)39-4-2)37(34-26)27-14-9-8-12-25(27)31)19-20-15-17-21(18-16-20)22-10-6-7-11-23(22)29-32-35-36-33-29/h6-12,14-18H,3-5,13,19H2,1-2H3,(H,32,33,35,36)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro apparent inhibition constant of porcine renal Dehydropeptidase-1.				Bioorg Med Chem Lett 9: 2741-6 (1999) BindingDB Entry DOI: 10.7270/Q24Q7T6C
					More data for this Ligand-Target Pair
Dipeptidase 1 (GUINEA PIG)	BDBM50042579 (5-Butyl-2-phenyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl...) Show SMILES CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccc1 Show InChI InChI=1S/C30H30N6O2/c1-3-5-15-27-26(28(30(37)38-4-2)36(33-27)23-11-7-6-8-12-23)20-21-16-18-22(19-17-21)24-13-9-10-14-25(24)29-31-34-35-32-29/h6-14,16-19H,3-5,15,20H2,1-2H3,(H,31,32,34,35)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro apparent inhibition constant of porcine renal Dehydropeptidase-1.				Bioorg Med Chem Lett 9: 2741-6 (1999) BindingDB Entry DOI: 10.7270/Q24Q7T6C
					More data for this Ligand-Target Pair
Dipeptidase 1 (GUINEA PIG)	BDBM50042542 (5-Butyl-2-(2,3-dichloro-phenyl)-4-[2'-(1H-tetrazol...) Show SMILES CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1cccc(Cl)c1Cl Show InChI InChI=1S/C28H24Cl2N6O2/c1-2-3-10-23-21(26(28(37)38)36(33-23)24-11-6-9-22(29)25(24)30)16-17-12-14-18(15-13-17)19-7-4-5-8-20(19)27-31-34-35-32-27/h4-9,11-15H,2-3,10,16H2,1H3,(H,37,38)(H,31,32,34,35)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.10E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro apparent inhibition constant of porcine renal Dehydropeptidase-1.				Bioorg Med Chem Lett 9: 2741-6 (1999) BindingDB Entry DOI: 10.7270/Q24Q7T6C
					More data for this Ligand-Target Pair
Dipeptidase 1 (GUINEA PIG)	BDBM50042559 (5-Butyl-2-(2-chloro-phenyl)-4-[2'-(1H-tetrazol-5-y...) Show SMILES CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccc1Cl Show InChI InChI=1S/C28H25ClN6O2/c1-2-3-11-24-22(26(28(36)37)35(32-24)25-12-7-6-10-23(25)29)17-18-13-15-19(16-14-18)20-8-4-5-9-21(20)27-30-33-34-31-27/h4-10,12-16H,2-3,11,17H2,1H3,(H,36,37)(H,30,31,33,34)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro apparent inhibition constant of porcine renal Dehydropeptidase-1.				Bioorg Med Chem Lett 9: 2741-6 (1999) BindingDB Entry DOI: 10.7270/Q24Q7T6C
					More data for this Ligand-Target Pair
Dipeptidase 1 (GUINEA PIG)	BDBM50042577 (5-Butyl-2-(2,5-dichloro-phenyl)-4-[2'-(1H-tetrazol...) Show SMILES CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1cc(Cl)ccc1Cl Show InChI InChI=1S/C28H24Cl2N6O2/c1-2-3-8-24-22(26(28(37)38)36(33-24)25-16-19(29)13-14-23(25)30)15-17-9-11-18(12-10-17)20-6-4-5-7-21(20)27-31-34-35-32-27/h4-7,9-14,16H,2-3,8,15H2,1H3,(H,37,38)(H,31,32,34,35)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.80E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro apparent inhibition constant of porcine renal Dehydropeptidase-1.				Bioorg Med Chem Lett 9: 2741-6 (1999) BindingDB Entry DOI: 10.7270/Q24Q7T6C
					More data for this Ligand-Target Pair
Dipeptidase 1 (GUINEA PIG)	BDBM50042564 (5-Butyl-2-(4-chloro-phenyl)-4-[2'-(1H-tetrazol-5-y...) Show SMILES CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C30H29ClN6O2/c1-3-5-10-27-26(28(30(38)39-4-2)37(34-27)23-17-15-22(31)16-18-23)19-20-11-13-21(14-12-20)24-8-6-7-9-25(24)29-32-35-36-33-29/h6-9,11-18H,3-5,10,19H2,1-2H3,(H,32,33,35,36)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.80E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro apparent inhibition constant of porcine renal Dehydropeptidase-1.				Bioorg Med Chem Lett 9: 2741-6 (1999) BindingDB Entry DOI: 10.7270/Q24Q7T6C
					More data for this Ligand-Target Pair
Dipeptidase 1 (GUINEA PIG)	BDBM50042578 (5-Butyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...) Show SMILES CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccc1C(F)(F)F Show InChI InChI=1S/C29H25F3N6O2/c1-2-3-11-24-22(26(28(39)40)38(35-24)25-12-7-6-10-23(25)29(30,31)32)17-18-13-15-19(16-14-18)20-8-4-5-9-21(20)27-33-36-37-34-27/h4-10,12-16H,2-3,11,17H2,1H3,(H,39,40)(H,33,34,36,37)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.80E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro apparent inhibition constant of porcine renal Dehydropeptidase-1.				Bioorg Med Chem Lett 9: 2741-6 (1999) BindingDB Entry DOI: 10.7270/Q24Q7T6C
					More data for this Ligand-Target Pair
Dipeptidase 1 (GUINEA PIG)	BDBM50042543 (5-Butyl-2-(2,4-dichloro-phenyl)-4-[2'-(1H-tetrazol...) Show SMILES CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C28H24Cl2N6O2/c1-2-3-8-24-22(26(28(37)38)36(33-24)25-14-13-19(29)16-23(25)30)15-17-9-11-18(12-10-17)20-6-4-5-7-21(20)27-31-34-35-32-27/h4-7,9-14,16H,2-3,8,15H2,1H3,(H,37,38)(H,31,32,34,35)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro apparent inhibition constant of porcine renal Dehydropeptidase-1.				Bioorg Med Chem Lett 9: 2741-6 (1999) BindingDB Entry DOI: 10.7270/Q24Q7T6C
					More data for this Ligand-Target Pair
Dipeptidase 1 (GUINEA PIG)	BDBM50042558 (2-Biphenyl-2-yl-5-butyl-4-[2'-(1H-tetrazol-5-yl)-b...) Show SMILES CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccc1-c1ccccc1 Show InChI InChI=1S/C34H30N6O2/c1-2-3-16-30-29(22-23-18-20-25(21-19-23)26-13-7-8-15-28(26)33-35-38-39-36-33)32(34(41)42)40(37-30)31-17-10-9-14-27(31)24-11-5-4-6-12-24/h4-15,17-21H,2-3,16,22H2,1H3,(H,41,42)(H,35,36,38,39)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.20E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro apparent inhibition constant of porcine renal Dehydropeptidase-1.				Bioorg Med Chem Lett 9: 2741-6 (1999) BindingDB Entry DOI: 10.7270/Q24Q7T6C
					More data for this Ligand-Target Pair
Dipeptidase 1 (GUINEA PIG)	BDBM50042535 (5-Butyl-2-(3-chloro-phenyl)-4-[2'-(1H-tetrazol-5-y...) Show SMILES CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1cccc(Cl)c1 Show InChI InChI=1S/C28H25ClN6O2/c1-2-3-11-25-24(26(28(36)37)35(32-25)21-8-6-7-20(29)17-21)16-18-12-14-19(15-13-18)22-9-4-5-10-23(22)27-30-33-34-31-27/h4-10,12-15,17H,2-3,11,16H2,1H3,(H,36,37)(H,30,31,33,34)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.25E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro apparent inhibition constant of porcine renal Dehydropeptidase-1.				Bioorg Med Chem Lett 9: 2741-6 (1999) BindingDB Entry DOI: 10.7270/Q24Q7T6C
					More data for this Ligand-Target Pair
Dipeptidase 1 (GUINEA PIG)	BDBM50042556 (5-Butyl-2-(4-chloro-phenyl)-4-[2'-(1H-tetrazol-5-y...) Show SMILES CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H25ClN6O2/c1-2-3-8-25-24(26(28(36)37)35(32-25)21-15-13-20(29)14-16-21)17-18-9-11-19(12-10-18)22-6-4-5-7-23(22)27-30-33-34-31-27/h4-7,9-16H,2-3,8,17H2,1H3,(H,36,37)(H,30,31,33,34)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.30E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro apparent inhibition constant of porcine renal Dehydropeptidase-1.				Bioorg Med Chem Lett 9: 2741-6 (1999) BindingDB Entry DOI: 10.7270/Q24Q7T6C
					More data for this Ligand-Target Pair
Dipeptidase 1 (GUINEA PIG)	BDBM50042548 (5-Butyl-2-(3-chloro-phenyl)-4-[2'-(1H-tetrazol-5-y...) Show SMILES CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1cccc(Cl)c1 Show InChI InChI=1S/C30H29ClN6O2/c1-3-5-13-27-26(28(30(38)39-4-2)37(34-27)23-10-8-9-22(31)19-23)18-20-14-16-21(17-15-20)24-11-6-7-12-25(24)29-32-35-36-33-29/h6-12,14-17,19H,3-5,13,18H2,1-2H3,(H,32,33,35,36)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro apparent inhibition constant of porcine renal Dehydropeptidase-1.				Bioorg Med Chem Lett 9: 2741-6 (1999) BindingDB Entry DOI: 10.7270/Q24Q7T6C
					More data for this Ligand-Target Pair
Dipeptidase 1 (GUINEA PIG)	BDBM50042528 (5-Butyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...) Show SMILES CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1c(Cl)cc(Cl)cc1Cl |(-5.8,-11.85,;-4.26,-11.87,;-3.45,-10.55,;-1.91,-10.57,;-1.02,-9.31,;-1.5,-7.84,;-.25,-6.94,;1.01,-7.84,;2.47,-7.38,;3.96,-8.12,;2.8,-5.87,;4.28,-5.45,;4.68,-3.96,;.52,-9.31,;1.42,-10.57,;2.96,-10.55,;3.73,-11.88,;5.27,-11.88,;6.03,-10.55,;5.24,-9.22,;3.72,-9.24,;7.57,-10.53,;8.34,-11.88,;9.88,-11.87,;10.63,-10.53,;9.86,-9.19,;8.32,-9.21,;7.77,-7.74,;9.03,-6.84,;8.57,-5.37,;7.04,-5.37,;6.54,-6.83,;-.64,-5.43,;.46,-4.34,;1.87,-4.11,;.04,-2.86,;-1.43,-2.45,;-1.85,-.94,;-2.52,-3.56,;-2.12,-5.04,;-3.26,-6.11,)| Show InChI InChI=1S/C30H27Cl3N6O2/c1-3-5-10-26-23(27(30(40)41-4-2)39(36-26)28-24(32)16-20(31)17-25(28)33)15-18-11-13-19(14-12-18)21-8-6-7-9-22(21)29-34-37-38-35-29/h6-9,11-14,16-17H,3-5,10,15H2,1-2H3,(H,34,35,37,38)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro apparent inhibition constant of porcine renal Dehydropeptidase-1.				Bioorg Med Chem Lett 9: 2741-6 (1999) BindingDB Entry DOI: 10.7270/Q24Q7T6C
					More data for this Ligand-Target Pair
Dipeptidase 1 (GUINEA PIG)	BDBM50042569 (5-Butyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...) Show SMILES CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccc1C Show InChI InChI=1S/C29H28N6O2/c1-3-4-12-25-24(27(29(36)37)35(32-25)26-13-8-5-9-19(26)2)18-20-14-16-21(17-15-20)22-10-6-7-11-23(22)28-30-33-34-31-28/h5-11,13-17H,3-4,12,18H2,1-2H3,(H,36,37)(H,30,31,33,34)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.70E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro apparent inhibition constant of porcine renal Dehydropeptidase-1.				Bioorg Med Chem Lett 9: 2741-6 (1999) BindingDB Entry DOI: 10.7270/Q24Q7T6C
					More data for this Ligand-Target Pair
Dipeptidase 1 (GUINEA PIG)	BDBM50042568 (5-Butyl-2-(2,4-dichloro-phenyl)-4-[2'-(1H-tetrazol...) Show SMILES CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C30H28Cl2N6O2/c1-3-5-10-26-24(28(30(39)40-4-2)38(35-26)27-16-15-21(31)18-25(27)32)17-19-11-13-20(14-12-19)22-8-6-7-9-23(22)29-33-36-37-34-29/h6-9,11-16,18H,3-5,10,17H2,1-2H3,(H,33,34,36,37)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.80E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro apparent inhibition constant of porcine renal Dehydropeptidase-1.				Bioorg Med Chem Lett 9: 2741-6 (1999) BindingDB Entry DOI: 10.7270/Q24Q7T6C
					More data for this Ligand-Target Pair
Dipeptidase 1 (GUINEA PIG)	BDBM50042565 (5-Butyl-2-(2,6-dichloro-phenyl)-4-[2'-(1H-tetrazol...) Show SMILES CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1c(Cl)cccc1Cl |(-6.39,-5.83,;-4.86,-5.84,;-4.08,-4.52,;-2.54,-4.53,;-1.61,-3.29,;-2.1,-1.82,;-.85,-.9,;.39,-1.82,;1.86,-1.35,;2.18,.16,;3.35,-2.08,;-.08,-3.29,;.81,-4.53,;2.36,-4.52,;3.12,-5.86,;4.66,-5.84,;5.42,-4.52,;4.63,-3.2,;3.1,-3.2,;6.96,-4.5,;7.72,-5.84,;9.27,-5.84,;10.01,-4.5,;9.25,-3.16,;7.71,-3.16,;7.18,-1.7,;8.42,-.81,;7.94,.66,;6.41,.66,;5.94,-.81,;-1.26,.59,;-2.73,.98,;-3.86,-.07,;-3.12,2.44,;-2.04,3.56,;-.56,3.14,;-.16,1.68,;1.25,1.9,)| Show InChI InChI=1S/C28H24Cl2N6O2/c1-2-3-11-24-21(25(28(37)38)36(33-24)26-22(29)9-6-10-23(26)30)16-17-12-14-18(15-13-17)19-7-4-5-8-20(19)27-31-34-35-32-27/h4-10,12-15H,2-3,11,16H2,1H3,(H,37,38)(H,31,32,34,35)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro apparent inhibition constant of porcine renal Dehydropeptidase-1.				Bioorg Med Chem Lett 9: 2741-6 (1999) BindingDB Entry DOI: 10.7270/Q24Q7T6C
					More data for this Ligand-Target Pair
Dipeptidase 1 (GUINEA PIG)	BDBM50042555 (5-Butyl-2-phenyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl...) Show SMILES CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccc1 Show InChI InChI=1S/C28H26N6O2/c1-2-3-13-25-24(26(28(35)36)34(31-25)21-9-5-4-6-10-21)18-19-14-16-20(17-15-19)22-11-7-8-12-23(22)27-29-32-33-30-27/h4-12,14-17H,2-3,13,18H2,1H3,(H,35,36)(H,29,30,32,33)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.90E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro apparent inhibition constant of porcine renal Dehydropeptidase-1.				Bioorg Med Chem Lett 9: 2741-6 (1999) BindingDB Entry DOI: 10.7270/Q24Q7T6C
					More data for this Ligand-Target Pair
Dipeptidase 1 (GUINEA PIG)	BDBM50042544 (5-Butyl-2-(2-nitro-phenyl)-4-[2'-(1H-tetrazol-5-yl...) Show SMILES CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccc1[N+]([O-])=O Show InChI InChI=1S/C28H25N7O4/c1-2-3-10-23-22(26(28(36)37)34(31-23)24-11-6-7-12-25(24)35(38)39)17-18-13-15-19(16-14-18)20-8-4-5-9-21(20)27-29-32-33-30-27/h4-9,11-16H,2-3,10,17H2,1H3,(H,36,37)(H,29,30,32,33)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.40E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro apparent inhibition constant of porcine renal Dehydropeptidase-1.				Bioorg Med Chem Lett 9: 2741-6 (1999) BindingDB Entry DOI: 10.7270/Q24Q7T6C
					More data for this Ligand-Target Pair
Dipeptidase 1 (GUINEA PIG)	BDBM50042576 (5-Butyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...) Show SMILES CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1c(Cl)cc(Cl)cc1Cl |(-2.96,-14.32,;-1.41,-14.32,;-.64,-13.02,;.92,-13.03,;1.82,-11.79,;1.36,-10.32,;2.6,-9.41,;3.84,-10.32,;5.31,-9.83,;5.63,-8.33,;6.79,-10.57,;3.37,-11.79,;4.27,-13.03,;5.81,-13.02,;6.57,-14.35,;8.11,-14.34,;8.86,-13.02,;8.09,-11.69,;6.56,-11.7,;10.41,-13,;11.18,-14.34,;12.71,-14.32,;13.48,-13,;12.69,-11.64,;11.16,-11.67,;10.63,-10.21,;11.87,-9.31,;11.4,-7.85,;9.86,-7.83,;9.38,-9.3,;2.2,-7.88,;3.31,-6.78,;4.76,-6.54,;2.91,-5.28,;1.4,-4.86,;.98,-3.34,;.29,-5.99,;.69,-7.47,;-.47,-8.57,)| Show InChI InChI=1S/C28H23Cl3N6O2/c1-2-3-8-24-21(25(28(38)39)37(34-24)26-22(30)14-18(29)15-23(26)31)13-16-9-11-17(12-10-16)19-6-4-5-7-20(19)27-32-35-36-33-27/h4-7,9-12,14-15H,2-3,8,13H2,1H3,(H,38,39)(H,32,33,35,36)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro apparent inhibition constant of porcine renal Dehydropeptidase-1.				Bioorg Med Chem Lett 9: 2741-6 (1999) BindingDB Entry DOI: 10.7270/Q24Q7T6C
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Bacteroides fragilis)	BDBM50042557 (5-Butyl-2-(2-nitro-phenyl)-4-[2'-(1H-tetrazol-5-yl...) Show SMILES CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccc1[N+]([O-])=O Show InChI InChI=1S/C30H29N7O4/c1-3-5-12-25-24(28(30(38)41-4-2)36(33-25)26-13-8-9-14-27(26)37(39)40)19-20-15-17-21(18-16-20)22-10-6-7-11-23(22)29-31-34-35-32-29/h6-11,13-18H,3-5,12,19H2,1-2H3,(H,31,32,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of metallo-beta-lactamase (MBL) from Bacteroides fragilis.				Bioorg Med Chem Lett 9: 2741-6 (1999) BindingDB Entry DOI: 10.7270/Q24Q7T6C
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Bacteroides fragilis)	BDBM50042540 (5-Butyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...) Show SMILES CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccc1C(F)(F)F Show InChI InChI=1S/C31H29F3N6O2/c1-3-5-13-26-24(28(30(41)42-4-2)40(37-26)27-14-9-8-12-25(27)31(32,33)34)19-20-15-17-21(18-16-20)22-10-6-7-11-23(22)29-35-38-39-36-29/h6-12,14-18H,3-5,13,19H2,1-2H3,(H,35,36,38,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of metallo-beta-lactamase (MBL) from Bacteroides fragilis.				Bioorg Med Chem Lett 9: 2741-6 (1999) BindingDB Entry DOI: 10.7270/Q24Q7T6C
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Bacteroides fragilis)	BDBM50042559 (5-Butyl-2-(2-chloro-phenyl)-4-[2'-(1H-tetrazol-5-y...) Show SMILES CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccc1Cl Show InChI InChI=1S/C28H25ClN6O2/c1-2-3-11-24-22(26(28(36)37)35(32-24)25-12-7-6-10-23(25)29)17-18-13-15-19(16-14-18)20-8-4-5-9-21(20)27-30-33-34-31-27/h4-10,12-16H,2-3,11,17H2,1H3,(H,36,37)(H,30,31,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of metallo-beta-lactamase (MBL) from Bacteroides fragilis.				Bioorg Med Chem Lett 9: 2741-6 (1999) BindingDB Entry DOI: 10.7270/Q24Q7T6C
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Bacteroides fragilis)	BDBM50042576 (5-Butyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...) Show SMILES CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1c(Cl)cc(Cl)cc1Cl |(-2.96,-14.32,;-1.41,-14.32,;-.64,-13.02,;.92,-13.03,;1.82,-11.79,;1.36,-10.32,;2.6,-9.41,;3.84,-10.32,;5.31,-9.83,;5.63,-8.33,;6.79,-10.57,;3.37,-11.79,;4.27,-13.03,;5.81,-13.02,;6.57,-14.35,;8.11,-14.34,;8.86,-13.02,;8.09,-11.69,;6.56,-11.7,;10.41,-13,;11.18,-14.34,;12.71,-14.32,;13.48,-13,;12.69,-11.64,;11.16,-11.67,;10.63,-10.21,;11.87,-9.31,;11.4,-7.85,;9.86,-7.83,;9.38,-9.3,;2.2,-7.88,;3.31,-6.78,;4.76,-6.54,;2.91,-5.28,;1.4,-4.86,;.98,-3.34,;.29,-5.99,;.69,-7.47,;-.47,-8.57,)| Show InChI InChI=1S/C28H23Cl3N6O2/c1-2-3-8-24-21(25(28(38)39)37(34-24)26-22(30)14-18(29)15-23(26)31)13-16-9-11-17(12-10-16)19-6-4-5-7-20(19)27-32-35-36-33-27/h4-7,9-12,14-15H,2-3,8,13H2,1H3,(H,38,39)(H,32,33,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of metallo-beta-lactamase (MBL) from Bacteroides fragilis.				Bioorg Med Chem Lett 9: 2741-6 (1999) BindingDB Entry DOI: 10.7270/Q24Q7T6C
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Bacteroides fragilis)	BDBM50042542 (5-Butyl-2-(2,3-dichloro-phenyl)-4-[2'-(1H-tetrazol...) Show SMILES CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1cccc(Cl)c1Cl Show InChI InChI=1S/C28H24Cl2N6O2/c1-2-3-10-23-21(26(28(37)38)36(33-23)24-11-6-9-22(29)25(24)30)16-17-12-14-18(15-13-17)19-7-4-5-8-20(19)27-31-34-35-32-27/h4-9,11-15H,2-3,10,16H2,1H3,(H,37,38)(H,31,32,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of metallo-beta-lactamase (MBL) from Bacteroides fragilis.				Bioorg Med Chem Lett 9: 2741-6 (1999) BindingDB Entry DOI: 10.7270/Q24Q7T6C
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Bacteroides fragilis)	BDBM50042578 (5-Butyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...) Show SMILES CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccc1C(F)(F)F Show InChI InChI=1S/C29H25F3N6O2/c1-2-3-11-24-22(26(28(39)40)38(35-24)25-12-7-6-10-23(25)29(30,31)32)17-18-13-15-19(16-14-18)20-8-4-5-9-21(20)27-33-36-37-34-27/h4-10,12-16H,2-3,11,17H2,1H3,(H,39,40)(H,33,34,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of metallo-beta-lactamase (MBL) from Bacteroides fragilis.				Bioorg Med Chem Lett 9: 2741-6 (1999) BindingDB Entry DOI: 10.7270/Q24Q7T6C
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Bacteroides fragilis)	BDBM50042577 (5-Butyl-2-(2,5-dichloro-phenyl)-4-[2'-(1H-tetrazol...) Show SMILES CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1cc(Cl)ccc1Cl Show InChI InChI=1S/C28H24Cl2N6O2/c1-2-3-8-24-22(26(28(37)38)36(33-24)25-16-19(29)13-14-23(25)30)15-17-9-11-18(12-10-17)20-6-4-5-7-21(20)27-31-34-35-32-27/h4-7,9-14,16H,2-3,8,15H2,1H3,(H,37,38)(H,31,32,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of metallo-beta-lactamase (MBL) from Bacteroides fragilis.				Bioorg Med Chem Lett 9: 2741-6 (1999) BindingDB Entry DOI: 10.7270/Q24Q7T6C
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM50042574 (5-Butyl-2-(2,5-dichloro-phenyl)-4-[2'-(1H-tetrazol...) Show SMILES CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1cc(Cl)ccc1Cl Show InChI InChI=1S/C30H28Cl2N6O2/c1-3-5-10-26-24(28(30(39)40-4-2)38(35-26)27-18-21(31)15-16-25(27)32)17-19-11-13-20(14-12-19)22-8-6-7-9-23(22)29-33-36-37-34-29/h6-9,11-16,18H,3-5,10,17H2,1-2H3,(H,33,34,36,37)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of metallo-beta-lactamase (MBL) from Pseudomonas aeruginosa mediated by the plasmid-borne IMP-1 enzyme.				Bioorg Med Chem Lett 9: 2741-6 (1999) BindingDB Entry DOI: 10.7270/Q24Q7T6C
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM50042558 (2-Biphenyl-2-yl-5-butyl-4-[2'-(1H-tetrazol-5-yl)-b...) Show SMILES CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccc1-c1ccccc1 Show InChI InChI=1S/C34H30N6O2/c1-2-3-16-30-29(22-23-18-20-25(21-19-23)26-13-7-8-15-28(26)33-35-38-39-36-33)32(34(41)42)40(37-30)31-17-10-9-14-27(31)24-11-5-4-6-12-24/h4-15,17-21H,2-3,16,22H2,1H3,(H,41,42)(H,35,36,38,39)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of metallo-beta-lactamase (MBL) from Pseudomonas aeruginosa mediated by the plasmid-borne IMP-1 enzyme.				Bioorg Med Chem Lett 9: 2741-6 (1999) BindingDB Entry DOI: 10.7270/Q24Q7T6C
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM50042568 (5-Butyl-2-(2,4-dichloro-phenyl)-4-[2'-(1H-tetrazol...) Show SMILES CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C30H28Cl2N6O2/c1-3-5-10-26-24(28(30(39)40-4-2)38(35-26)27-16-15-21(31)18-25(27)32)17-19-11-13-20(14-12-19)22-8-6-7-9-23(22)29-33-36-37-34-29/h6-9,11-16,18H,3-5,10,17H2,1-2H3,(H,33,34,36,37)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of metallo-beta-lactamase (MBL) from Pseudomonas aeruginosa mediated by the plasmid-borne IMP-1 enzyme.				Bioorg Med Chem Lett 9: 2741-6 (1999) BindingDB Entry DOI: 10.7270/Q24Q7T6C
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM50042564 (5-Butyl-2-(4-chloro-phenyl)-4-[2'-(1H-tetrazol-5-y...) Show SMILES CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C30H29ClN6O2/c1-3-5-10-27-26(28(30(38)39-4-2)37(34-27)23-17-15-22(31)16-18-23)19-20-11-13-21(14-12-20)24-8-6-7-9-25(24)29-32-35-36-33-29/h6-9,11-18H,3-5,10,19H2,1-2H3,(H,32,33,35,36)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of metallo-beta-lactamase (MBL) from Pseudomonas aeruginosa mediated by the plasmid-borne IMP-1 enzyme.				Bioorg Med Chem Lett 9: 2741-6 (1999) BindingDB Entry DOI: 10.7270/Q24Q7T6C
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Bacteroides fragilis)	BDBM50042532 (5-Butyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...) Show SMILES CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccc1C Show InChI InChI=1S/C31H32N6O2/c1-4-6-14-27-26(29(31(38)39-5-2)37(34-27)28-15-10-7-11-21(28)3)20-22-16-18-23(19-17-22)24-12-8-9-13-25(24)30-32-35-36-33-30/h7-13,15-19H,4-6,14,20H2,1-3H3,(H,32,33,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of metallo-beta-lactamase (MBL) from Bacteroides fragilis.				Bioorg Med Chem Lett 9: 2741-6 (1999) BindingDB Entry DOI: 10.7270/Q24Q7T6C
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM50042548 (5-Butyl-2-(3-chloro-phenyl)-4-[2'-(1H-tetrazol-5-y...) Show SMILES CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1cccc(Cl)c1 Show InChI InChI=1S/C30H29ClN6O2/c1-3-5-13-27-26(28(30(38)39-4-2)37(34-27)23-10-8-9-22(31)19-23)18-20-14-16-21(17-15-20)24-11-6-7-12-25(24)29-32-35-36-33-29/h6-12,14-17,19H,3-5,13,18H2,1-2H3,(H,32,33,35,36)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of metallo-beta-lactamase (MBL) from Pseudomonas aeruginosa mediated by the plasmid-borne IMP-1 enzyme.				Bioorg Med Chem Lett 9: 2741-6 (1999) BindingDB Entry DOI: 10.7270/Q24Q7T6C
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Bacteroides fragilis)	BDBM50042543 (5-Butyl-2-(2,4-dichloro-phenyl)-4-[2'-(1H-tetrazol...) Show SMILES CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C28H24Cl2N6O2/c1-2-3-8-24-22(26(28(37)38)36(33-24)25-14-13-19(29)16-23(25)30)15-17-9-11-18(12-10-17)20-6-4-5-7-21(20)27-31-34-35-32-27/h4-7,9-14,16H,2-3,8,15H2,1H3,(H,37,38)(H,31,32,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of metallo-beta-lactamase (MBL) from Bacteroides fragilis.				Bioorg Med Chem Lett 9: 2741-6 (1999) BindingDB Entry DOI: 10.7270/Q24Q7T6C
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Bacteroides fragilis)	BDBM50042569 (5-Butyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...) Show SMILES CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccc1C Show InChI InChI=1S/C29H28N6O2/c1-3-4-12-25-24(27(29(36)37)35(32-25)26-13-8-5-9-19(26)2)18-20-14-16-21(17-15-20)22-10-6-7-11-23(22)28-30-33-34-31-28/h5-11,13-17H,3-4,12,18H2,1-2H3,(H,36,37)(H,30,31,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of metallo-beta-lactamase (MBL) from Bacteroides fragilis.				Bioorg Med Chem Lett 9: 2741-6 (1999) BindingDB Entry DOI: 10.7270/Q24Q7T6C
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Bacteroides fragilis)	BDBM50042528 (5-Butyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmeth...) Show SMILES CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1c(Cl)cc(Cl)cc1Cl |(-5.8,-11.85,;-4.26,-11.87,;-3.45,-10.55,;-1.91,-10.57,;-1.02,-9.31,;-1.5,-7.84,;-.25,-6.94,;1.01,-7.84,;2.47,-7.38,;3.96,-8.12,;2.8,-5.87,;4.28,-5.45,;4.68,-3.96,;.52,-9.31,;1.42,-10.57,;2.96,-10.55,;3.73,-11.88,;5.27,-11.88,;6.03,-10.55,;5.24,-9.22,;3.72,-9.24,;7.57,-10.53,;8.34,-11.88,;9.88,-11.87,;10.63,-10.53,;9.86,-9.19,;8.32,-9.21,;7.77,-7.74,;9.03,-6.84,;8.57,-5.37,;7.04,-5.37,;6.54,-6.83,;-.64,-5.43,;.46,-4.34,;1.87,-4.11,;.04,-2.86,;-1.43,-2.45,;-1.85,-.94,;-2.52,-3.56,;-2.12,-5.04,;-3.26,-6.11,)| Show InChI InChI=1S/C30H27Cl3N6O2/c1-3-5-10-26-23(27(30(40)41-4-2)39(36-26)28-24(32)16-20(31)17-25(28)33)15-18-11-13-19(14-12-18)21-8-6-7-9-22(21)29-34-37-38-35-29/h6-9,11-14,16-17H,3-5,10,15H2,1-2H3,(H,34,35,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of metallo-beta-lactamase (MBL) from Bacteroides fragilis.				Bioorg Med Chem Lett 9: 2741-6 (1999) BindingDB Entry DOI: 10.7270/Q24Q7T6C
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Bacteroides fragilis)	BDBM50042531 (5-Butyl-2-(2,3-dichloro-phenyl)-4-[2'-(1H-tetrazol...) Show SMILES CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1cccc(Cl)c1Cl Show InChI InChI=1S/C30H28Cl2N6O2/c1-3-5-12-25-23(28(30(39)40-4-2)38(35-25)26-13-8-11-24(31)27(26)32)18-19-14-16-20(17-15-19)21-9-6-7-10-22(21)29-33-36-37-34-29/h6-11,13-17H,3-5,12,18H2,1-2H3,(H,33,34,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of metallo-beta-lactamase (MBL) from Bacteroides fragilis.				Bioorg Med Chem Lett 9: 2741-6 (1999) BindingDB Entry DOI: 10.7270/Q24Q7T6C
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Bacteroides fragilis)	BDBM50042574 (5-Butyl-2-(2,5-dichloro-phenyl)-4-[2'-(1H-tetrazol...) Show SMILES CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1cc(Cl)ccc1Cl Show InChI InChI=1S/C30H28Cl2N6O2/c1-3-5-10-26-24(28(30(39)40-4-2)38(35-26)27-18-21(31)15-16-25(27)32)17-19-11-13-20(14-12-19)22-8-6-7-9-23(22)29-33-36-37-34-29/h6-9,11-16,18H,3-5,10,17H2,1-2H3,(H,33,34,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of metallo-beta-lactamase (MBL) from Bacteroides fragilis.				Bioorg Med Chem Lett 9: 2741-6 (1999) BindingDB Entry DOI: 10.7270/Q24Q7T6C
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Bacteroides fragilis)	BDBM50042579 (5-Butyl-2-phenyl-4-[2'-(1H-tetrazol-5-yl)-biphenyl...) Show SMILES CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccc1 Show InChI InChI=1S/C30H30N6O2/c1-3-5-15-27-26(28(30(37)38-4-2)36(33-27)23-11-7-6-8-12-23)20-21-16-18-22(19-17-21)24-13-9-10-14-25(24)29-31-34-35-32-29/h6-14,16-19H,3-5,15,20H2,1-2H3,(H,31,32,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of metallo-beta-lactamase (MBL) from Bacteroides fragilis.				Bioorg Med Chem Lett 9: 2741-6 (1999) BindingDB Entry DOI: 10.7270/Q24Q7T6C
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Bacteroides fragilis)	BDBM50042565 (5-Butyl-2-(2,6-dichloro-phenyl)-4-[2'-(1H-tetrazol...) Show SMILES CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1c(Cl)cccc1Cl |(-6.39,-5.83,;-4.86,-5.84,;-4.08,-4.52,;-2.54,-4.53,;-1.61,-3.29,;-2.1,-1.82,;-.85,-.9,;.39,-1.82,;1.86,-1.35,;2.18,.16,;3.35,-2.08,;-.08,-3.29,;.81,-4.53,;2.36,-4.52,;3.12,-5.86,;4.66,-5.84,;5.42,-4.52,;4.63,-3.2,;3.1,-3.2,;6.96,-4.5,;7.72,-5.84,;9.27,-5.84,;10.01,-4.5,;9.25,-3.16,;7.71,-3.16,;7.18,-1.7,;8.42,-.81,;7.94,.66,;6.41,.66,;5.94,-.81,;-1.26,.59,;-2.73,.98,;-3.86,-.07,;-3.12,2.44,;-2.04,3.56,;-.56,3.14,;-.16,1.68,;1.25,1.9,)| Show InChI InChI=1S/C28H24Cl2N6O2/c1-2-3-11-24-21(25(28(37)38)36(33-24)26-22(29)9-6-10-23(26)30)16-17-12-14-18(15-13-17)19-7-4-5-8-20(19)27-31-34-35-32-27/h4-10,12-15H,2-3,11,16H2,1H3,(H,37,38)(H,31,32,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of metallo-beta-lactamase (MBL) from Bacteroides fragilis.				Bioorg Med Chem Lett 9: 2741-6 (1999) BindingDB Entry DOI: 10.7270/Q24Q7T6C
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Bacteroides fragilis)	BDBM50042568 (5-Butyl-2-(2,4-dichloro-phenyl)-4-[2'-(1H-tetrazol...) Show SMILES CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C30H28Cl2N6O2/c1-3-5-10-26-24(28(30(39)40-4-2)38(35-26)27-16-15-21(31)18-25(27)32)17-19-11-13-20(14-12-19)22-8-6-7-9-23(22)29-33-36-37-34-29/h6-9,11-16,18H,3-5,10,17H2,1-2H3,(H,33,34,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of metallo-beta-lactamase (MBL) from Bacteroides fragilis.				Bioorg Med Chem Lett 9: 2741-6 (1999) BindingDB Entry DOI: 10.7270/Q24Q7T6C
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Bacteroides fragilis)	BDBM50042544 (5-Butyl-2-(2-nitro-phenyl)-4-[2'-(1H-tetrazol-5-yl...) Show SMILES CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccc1[N+]([O-])=O Show InChI InChI=1S/C28H25N7O4/c1-2-3-10-23-22(26(28(36)37)34(31-23)24-11-6-7-12-25(24)35(38)39)17-18-13-15-19(16-14-18)20-8-4-5-9-21(20)27-29-32-33-30-27/h4-9,11-16H,2-3,10,17H2,1H3,(H,36,37)(H,29,30,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of metallo-beta-lactamase (MBL) from Bacteroides fragilis.				Bioorg Med Chem Lett 9: 2741-6 (1999) BindingDB Entry DOI: 10.7270/Q24Q7T6C
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM50042562 (2-Biphenyl-2-yl-5-butyl-4-[2'-(1H-tetrazol-5-yl)-b...) Show SMILES CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccc1-c1ccccc1 Show InChI InChI=1S/C36H34N6O2/c1-3-5-18-32-31(24-25-20-22-27(23-21-25)28-15-9-10-17-30(28)35-37-40-41-38-35)34(36(43)44-4-2)42(39-32)33-19-12-11-16-29(33)26-13-7-6-8-14-26/h6-17,19-23H,3-5,18,24H2,1-2H3,(H,37,38,40,41)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of metallo-beta-lactamase (MBL) from Pseudomonas aeruginosa mediated by the plasmid-borne IMP-1 enzyme.				Bioorg Med Chem Lett 9: 2741-6 (1999) BindingDB Entry DOI: 10.7270/Q24Q7T6C
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Bacteroides fragilis)	BDBM50042561 (5-Butyl-2-(2-chloro-phenyl)-4-[2'-(1H-tetrazol-5-y...) Show SMILES CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccc1Cl Show InChI InChI=1S/C30H29ClN6O2/c1-3-5-13-26-24(28(30(38)39-4-2)37(34-26)27-14-9-8-12-25(27)31)19-20-15-17-21(18-16-20)22-10-6-7-11-23(22)29-32-35-36-33-29/h6-12,14-18H,3-5,13,19H2,1-2H3,(H,32,33,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.70E+5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of metallo-beta-lactamase (MBL) from Bacteroides fragilis.				Bioorg Med Chem Lett 9: 2741-6 (1999) BindingDB Entry DOI: 10.7270/Q24Q7T6C
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Bacteroides fragilis)	BDBM50042548 (5-Butyl-2-(3-chloro-phenyl)-4-[2'-(1H-tetrazol-5-y...) Show SMILES CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1cccc(Cl)c1 Show InChI InChI=1S/C30H29ClN6O2/c1-3-5-13-27-26(28(30(38)39-4-2)37(34-27)23-10-8-9-22(31)19-23)18-20-14-16-21(17-15-20)24-11-6-7-12-25(24)29-32-35-36-33-29/h6-12,14-17,19H,3-5,13,18H2,1-2H3,(H,32,33,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70E+5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of metallo-beta-lactamase (MBL) from Bacteroides fragilis.				Bioorg Med Chem Lett 9: 2741-6 (1999) BindingDB Entry DOI: 10.7270/Q24Q7T6C
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM50042531 (5-Butyl-2-(2,3-dichloro-phenyl)-4-[2'-(1H-tetrazol...) Show SMILES CCCCc1nn(c(C(=O)OCC)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1cccc(Cl)c1Cl Show InChI InChI=1S/C30H28Cl2N6O2/c1-3-5-12-25-23(28(30(39)40-4-2)38(35-25)26-13-8-11-24(31)27(26)32)18-19-14-16-20(17-15-19)21-9-6-7-10-22(21)29-33-36-37-34-29/h6-11,13-17H,3-5,12,18H2,1-2H3,(H,33,34,36,37)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.75E+5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of metallo-beta-lactamase (MBL) from Pseudomonas aeruginosa mediated by the plasmid-borne IMP-1 enzyme.				Bioorg Med Chem Lett 9: 2741-6 (1999) BindingDB Entry DOI: 10.7270/Q24Q7T6C
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Bacteroides fragilis)	BDBM50042558 (2-Biphenyl-2-yl-5-butyl-4-[2'-(1H-tetrazol-5-yl)-b...) Show SMILES CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1ccccc1-c1ccccc1 Show InChI InChI=1S/C34H30N6O2/c1-2-3-16-30-29(22-23-18-20-25(21-19-23)26-13-7-8-15-28(26)33-35-38-39-36-33)32(34(41)42)40(37-30)31-17-10-9-14-27(31)24-11-5-4-6-12-24/h4-15,17-21H,2-3,16,22H2,1H3,(H,41,42)(H,35,36,38,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80E+5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of metallo-beta-lactamase (MBL) from Bacteroides fragilis.				Bioorg Med Chem Lett 9: 2741-6 (1999) BindingDB Entry DOI: 10.7270/Q24Q7T6C
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Bacteroides fragilis)	BDBM50042535 (5-Butyl-2-(3-chloro-phenyl)-4-[2'-(1H-tetrazol-5-y...) Show SMILES CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1cccc(Cl)c1 Show InChI InChI=1S/C28H25ClN6O2/c1-2-3-11-25-24(26(28(36)37)35(32-25)21-8-6-7-20(29)17-21)16-18-12-14-19(15-13-18)22-9-4-5-10-23(22)27-30-33-34-31-27/h4-10,12-15,17H,2-3,11,16H2,1H3,(H,36,37)(H,30,31,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.90E+5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of metallo-beta-lactamase (MBL) from Bacteroides fragilis.				Bioorg Med Chem Lett 9: 2741-6 (1999) BindingDB Entry DOI: 10.7270/Q24Q7T6C
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM50042535 (5-Butyl-2-(3-chloro-phenyl)-4-[2'-(1H-tetrazol-5-y...) Show SMILES CCCCc1nn(c(C(O)=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-c1cccc(Cl)c1 Show InChI InChI=1S/C28H25ClN6O2/c1-2-3-11-25-24(26(28(36)37)35(32-25)21-8-6-7-20(29)17-21)16-18-12-14-19(15-13-18)22-9-4-5-10-23(22)27-30-33-34-31-27/h4-10,12-15,17H,2-3,11,16H2,1H3,(H,36,37)(H,30,31,33,34)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of metallo-beta-lactamase (MBL) from Pseudomonas aeruginosa mediated by the plasmid-borne IMP-1 enzyme.				Bioorg Med Chem Lett 9: 2741-6 (1999) BindingDB Entry DOI: 10.7270/Q24Q7T6C
					More data for this Ligand-Target Pair

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