Compile Data Set for Download or QSAR

Found 135 hits with Last Name = 'rotter' and Initial = 'm'   

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
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50241116 (CHEMBL4066332) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(NS(C)(=O)=O)cc1Cl Show InChI InChI=1S/C19H23ClN2O3S/c1-19(2,3)15-8-5-13(6-9-15)18(23)21-12-14-7-10-16(11-17(14)20)22-26(4,24)25/h5-11,22H,12H2,1-4H3,(H,21,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Frankfurt Curated by ChEMBL					Assay Description Inhibition of sEH in human HepG2 cells using 14(15)-EET-d11 as substrate assessed as reduction in conversion of 14(15)-EET-d11 to 14(15)-DHET-d11 pre...				J Med Chem 60: 7703-7724 (2017) Article DOI: 10.1021/acs.jmedchem.7b00398 BindingDB Entry DOI: 10.7270/Q2N3003W
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50241116 (CHEMBL4066332) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(NS(C)(=O)=O)cc1Cl Show InChI InChI=1S/C19H23ClN2O3S/c1-19(2,3)15-8-5-13(6-9-15)18(23)21-12-14-7-10-16(11-17(14)20)22-26(4,24)25/h5-11,22H,12H2,1-4H3,(H,21,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Frankfurt Curated by ChEMBL					Assay Description Inhibition of recombinant v-Abl tyrosine kinase.				J Med Chem 60: 7703-7724 (2017) Article DOI: 10.1021/acs.jmedchem.7b00398 BindingDB Entry DOI: 10.7270/Q2N3003W
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50241151 (CHEMBL4087681) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(NC(=O)C(F)(F)F)cc1Cl Show InChI InChI=1S/C20H20ClF3N2O2/c1-19(2,3)14-7-4-12(5-8-14)17(27)25-11-13-6-9-15(10-16(13)21)26-18(28)20(22,23)24/h4-10H,11H2,1-3H3,(H,25,27)(H,26,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Frankfurt Curated by ChEMBL					Assay Description Inhibition of recombinant human sEH using PHOME as substrate preincubated for 30 mins followed by substrate addition measured for 30 mins by fluoresc...				J Med Chem 60: 7703-7724 (2017) Article DOI: 10.1021/acs.jmedchem.7b00398 BindingDB Entry DOI: 10.7270/Q2N3003W
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50241160 (CHEMBL4095371) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(N)cc1Cl Show InChI InChI=1S/C18H21ClN2O/c1-18(2,3)14-7-4-12(5-8-14)17(22)21-11-13-6-9-15(20)10-16(13)19/h4-10H,11,20H2,1-3H3,(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Frankfurt Curated by ChEMBL					Assay Description Inhibition of recombinant human sEH using PHOME as substrate preincubated for 30 mins followed by substrate addition measured for 30 mins by fluoresc...				J Med Chem 60: 7703-7724 (2017) Article DOI: 10.1021/acs.jmedchem.7b00398 BindingDB Entry DOI: 10.7270/Q2N3003W
					More data for this Ligand-Target Pair
VIM-1 metallo-beta-lactamase (Klebsiella pneumoniae)	BDBM50585867 (CHEMBL5088797) Show SMILES COC(=O)c1ccc(NC(=O)CCS)cc1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli VIM-1 using fluorocillin as substrate incubated for 30 mins by fluorescence based assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01755 BindingDB Entry DOI: 10.7270/Q2QN6BP2
					More data for this Ligand-Target Pair
VIM-1 metallo-beta-lactamase (Klebsiella pneumoniae)	BDBM50585864 (CHEMBL5077613) Show SMILES [O-][N+](=O)c1cccc(NC(=O)CCS)c1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli VIM-1 using fluorocillin as substrate incubated for 30 mins by fluorescence based assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01755 BindingDB Entry DOI: 10.7270/Q2QN6BP2
					More data for this Ligand-Target Pair
VIM-1 metallo-beta-lactamase (Klebsiella pneumoniae)	BDBM50585857 (CHEMBL5079055) Show SMILES Oc1cccc(NC(=O)CCS)c1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli VIM-1 using fluorocillin as substrate incubated for 30 mins by fluorescence based assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01755 BindingDB Entry DOI: 10.7270/Q2QN6BP2
					More data for this Ligand-Target Pair
VIM-1 metallo-beta-lactamase (Klebsiella pneumoniae)	BDBM50585853 (CHEMBL5093694) Show SMILES SCCC(=O)Nc1ccc(Cl)c(Cl)c1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli VIM-1 using fluorocillin as substrate incubated for 30 mins by fluorescence based assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01755 BindingDB Entry DOI: 10.7270/Q2QN6BP2
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50241158 (CHEMBL4064739) Show SMILES CSc1ccc(CNC(=O)c2ccc(cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C19H23NOS/c1-19(2,3)16-9-7-15(8-10-16)18(21)20-13-14-5-11-17(22-4)12-6-14/h5-12H,13H2,1-4H3,(H,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Frankfurt Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				J Med Chem 60: 7703-7724 (2017) Article DOI: 10.1021/acs.jmedchem.7b00398 BindingDB Entry DOI: 10.7270/Q2N3003W
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50241150 (CHEMBL4094881) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(cc1F)S(N)(=O)=O Show InChI InChI=1S/C18H21FN2O3S/c1-18(2,3)14-7-4-12(5-8-14)17(22)21-11-13-6-9-15(10-16(13)19)25(20,23)24/h4-10H,11H2,1-3H3,(H,21,22)(H2,20,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	137	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Frankfurt Curated by ChEMBL					Assay Description Inhibition of recombinant human sEH using PHOME as substrate preincubated for 30 mins followed by substrate addition measured for 30 mins by fluoresc...				J Med Chem 60: 7703-7724 (2017) Article DOI: 10.1021/acs.jmedchem.7b00398 BindingDB Entry DOI: 10.7270/Q2N3003W
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50241109 (CHEMBL4076701) Show SMILES CC(=O)c1ccc(CNC(=O)c2ccc(cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C20H23NO2/c1-14(22)16-7-5-15(6-8-16)13-21-19(23)17-9-11-18(12-10-17)20(2,3)4/h5-12H,13H2,1-4H3,(H,21,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	157	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Frankfurt Curated by ChEMBL					Assay Description Inhibition of recombinant human sEH using PHOME as substrate preincubated for 30 mins followed by substrate addition measured for 30 mins by fluoresc...				J Med Chem 60: 7703-7724 (2017) Article DOI: 10.1021/acs.jmedchem.7b00398 BindingDB Entry DOI: 10.7270/Q2N3003W
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50241136 (CHEMBL4088582) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(cc1Cl)C(O)=O Show InChI InChI=1S/C19H20ClNO3/c1-19(2,3)15-8-6-12(7-9-15)17(22)21-11-14-5-4-13(18(23)24)10-16(14)20/h4-10H,11H2,1-3H3,(H,21,22)(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Frankfurt Curated by ChEMBL					Assay Description Inhibition of recombinant human sEH using PHOME as substrate preincubated for 30 mins followed by substrate addition measured for 30 mins by fluoresc...				J Med Chem 60: 7703-7724 (2017) Article DOI: 10.1021/acs.jmedchem.7b00398 BindingDB Entry DOI: 10.7270/Q2N3003W
					More data for this Ligand-Target Pair
VIM-1 metallo-beta-lactamase (Klebsiella pneumoniae)	BDBM50585859 (CHEMBL5084382) Show SMILES Oc1ccc(NC(=O)CCS)cc1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli VIM-1 using fluorocillin as substrate incubated for 30 mins by fluorescence based assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01755 BindingDB Entry DOI: 10.7270/Q2QN6BP2
					More data for this Ligand-Target Pair
VIM-1 metallo-beta-lactamase (Klebsiella pneumoniae)	BDBM50585860 (CHEMBL5076170) Show SMILES Oc1ccccc1NC(=O)CCS Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli VIM-1 using fluorocillin as substrate incubated for 30 mins by fluorescence based assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01755 BindingDB Entry DOI: 10.7270/Q2QN6BP2
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50241147 (CHEMBL4084686) Show SMILES C[S+]([O-])c1ccc(CNC(=O)c2ccc(cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C19H23NO2S/c1-19(2,3)16-9-7-15(8-10-16)18(21)20-13-14-5-11-17(12-6-14)23(4)22/h5-12H,13H2,1-4H3,(H,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Frankfurt Curated by ChEMBL					Assay Description Inhibition of recombinant human sEH using PHOME as substrate preincubated for 30 mins followed by substrate addition measured for 30 mins by fluoresc...				J Med Chem 60: 7703-7724 (2017) Article DOI: 10.1021/acs.jmedchem.7b00398 BindingDB Entry DOI: 10.7270/Q2N3003W
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50241146 (CHEMBL4092436) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C19H20F3NO2/c1-18(2,3)15-8-6-14(7-9-15)17(24)23-12-13-4-10-16(11-5-13)25-19(20,21)22/h4-11H,12H2,1-3H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Frankfurt Curated by ChEMBL					Assay Description Inhibition of recombinant human sEH using PHOME as substrate preincubated for 30 mins followed by substrate addition measured for 30 mins by fluoresc...				J Med Chem 60: 7703-7724 (2017) Article DOI: 10.1021/acs.jmedchem.7b00398 BindingDB Entry DOI: 10.7270/Q2N3003W
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM10894 (4-(4-tert-Butylphenylcarboxamidomethyl)benzenesulf...) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C18H22N2O3S/c1-18(2,3)15-8-6-14(7-9-15)17(21)20-12-13-4-10-16(11-5-13)24(19,22)23/h4-11H,12H2,1-3H3,(H,20,21)(H2,19,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Frankfurt Curated by ChEMBL					Assay Description Inhibition of recombinant human sEH using PHOME as substrate preincubated for 30 mins followed by substrate addition measured for 30 mins by fluoresc...				J Med Chem 60: 7703-7724 (2017) Article DOI: 10.1021/acs.jmedchem.7b00398 BindingDB Entry DOI: 10.7270/Q2N3003W
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50241176 (CHEMBL4074393) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(SC(F)(F)F)cc1 Show InChI InChI=1S/C19H20F3NOS/c1-18(2,3)15-8-6-14(7-9-15)17(24)23-12-13-4-10-16(11-5-13)25-19(20,21)22/h4-11H,12H2,1-3H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Frankfurt Curated by ChEMBL					Assay Description Inhibitory activity against HIV-1 protease				J Med Chem 60: 7703-7724 (2017) Article DOI: 10.1021/acs.jmedchem.7b00398 BindingDB Entry DOI: 10.7270/Q2N3003W
					More data for this Ligand-Target Pair
VIM-1 metallo-beta-lactamase (Klebsiella pneumoniae)	BDBM50585854 (CHEMBL5070160) Show SMILES CC(=O)c1ccc(NC(=O)CCS)cc1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli VIM-1 using fluorocillin as substrate incubated for 30 mins by fluorescence based assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01755 BindingDB Entry DOI: 10.7270/Q2QN6BP2
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50241144 (CHEMBL1300445) Show SMILES COc1ccc(CNC(=O)c2ccc(cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C19H23NO2/c1-19(2,3)16-9-7-15(8-10-16)18(21)20-13-14-5-11-17(22-4)12-6-14/h5-12H,13H2,1-4H3,(H,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Frankfurt Curated by ChEMBL					Assay Description Inhibition of recombinant v-Abl tyrosine kinase.				J Med Chem 60: 7703-7724 (2017) Article DOI: 10.1021/acs.jmedchem.7b00398 BindingDB Entry DOI: 10.7270/Q2N3003W
					More data for this Ligand-Target Pair
VIM-1 metallo-beta-lactamase (Klebsiella pneumoniae)	BDBM50585873 (CHEMBL5085103) Show SMILES NC(=N)NS(=O)(=O)c1ccc(NC(=O)CCS)cc1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli VIM-1 using fluorocillin as substrate incubated for 30 mins by fluorescence based assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01755 BindingDB Entry DOI: 10.7270/Q2QN6BP2
					More data for this Ligand-Target Pair
VIM-1 metallo-beta-lactamase (Klebsiella pneumoniae)	BDBM50585869 (CHEMBL5085867) Show SMILES Nc1ccc(NC(=O)CCS)cc1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli VIM-1 using fluorocillin as substrate incubated for 30 mins by fluorescence based assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01755 BindingDB Entry DOI: 10.7270/Q2QN6BP2
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50241104 (CHEMBL4091019) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(C=O)cc1 Show InChI InChI=1S/C19H21NO2/c1-19(2,3)17-10-8-16(9-11-17)18(22)20-12-14-4-6-15(13-21)7-5-14/h4-11,13H,12H2,1-3H3,(H,20,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Frankfurt Curated by ChEMBL					Assay Description Inhibition of recombinant human sEH using PHOME as substrate preincubated for 30 mins followed by substrate addition measured for 30 mins by fluoresc...				J Med Chem 60: 7703-7724 (2017) Article DOI: 10.1021/acs.jmedchem.7b00398 BindingDB Entry DOI: 10.7270/Q2N3003W
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50241145 (CHEMBL4100178) Show SMILES CCOc1ccc(CNC(=O)c2ccc(cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C20H25NO2/c1-5-23-18-12-6-15(7-13-18)14-21-19(22)16-8-10-17(11-9-16)20(2,3)4/h6-13H,5,14H2,1-4H3,(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Frankfurt Curated by ChEMBL					Assay Description Inhibition of recombinant v-Abl tyrosine kinase.				J Med Chem 60: 7703-7724 (2017) Article DOI: 10.1021/acs.jmedchem.7b00398 BindingDB Entry DOI: 10.7270/Q2N3003W
					More data for this Ligand-Target Pair
VIM-1 metallo-beta-lactamase (Klebsiella pneumoniae)	BDBM50585868 (CHEMBL5094801) Show SMILES OC(=O)c1ccc(NC(=O)CCS)cc1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli VIM-1 using fluorocillin as substrate incubated for 30 mins by fluorescence based assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01755 BindingDB Entry DOI: 10.7270/Q2QN6BP2
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50241168 (CHEMBL4061980) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(NS(C)(=O)=O)cc1 Show InChI InChI=1S/C19H24N2O3S/c1-19(2,3)16-9-7-15(8-10-16)18(22)20-13-14-5-11-17(12-6-14)21-25(4,23)24/h5-12,21H,13H2,1-4H3,(H,20,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Frankfurt Curated by ChEMBL					Assay Description Inhibition of recombinant human sEH using PHOME as substrate preincubated for 30 mins followed by substrate addition measured for 30 mins by fluoresc...				J Med Chem 60: 7703-7724 (2017) Article DOI: 10.1021/acs.jmedchem.7b00398 BindingDB Entry DOI: 10.7270/Q2N3003W
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50241086 (CHEMBL4071919) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(NC(=O)C(F)(F)F)cc1 Show InChI InChI=1S/C20H21F3N2O2/c1-19(2,3)15-8-6-14(7-9-15)17(26)24-12-13-4-10-16(11-5-13)25-18(27)20(21,22)23/h4-11H,12H2,1-3H3,(H,24,26)(H,25,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Frankfurt Curated by ChEMBL					Assay Description Inhibition of recombinant human sEH using PHOME as substrate preincubated for 30 mins followed by substrate addition measured for 30 mins by fluoresc...				J Med Chem 60: 7703-7724 (2017) Article DOI: 10.1021/acs.jmedchem.7b00398 BindingDB Entry DOI: 10.7270/Q2N3003W
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50241139 (CHEMBL4076274) Show SMILES Cc1cc(ccc1CNC(=O)c1ccc(cc1)C(C)(C)C)C(O)=O Show InChI InChI=1S/C20H23NO3/c1-13-11-15(19(23)24)5-6-16(13)12-21-18(22)14-7-9-17(10-8-14)20(2,3)4/h5-11H,12H2,1-4H3,(H,21,22)(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Frankfurt Curated by ChEMBL					Assay Description Inhibition of recombinant human sEH using PHOME as substrate preincubated for 30 mins followed by substrate addition measured for 30 mins by fluoresc...				J Med Chem 60: 7703-7724 (2017) Article DOI: 10.1021/acs.jmedchem.7b00398 BindingDB Entry DOI: 10.7270/Q2N3003W
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50063918 ((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO Show InChI InChI=1S/C23H31N3O4S2/c1-15(2)12-17(18(22(28)26-30)14-32-20-10-7-11-31-20)21(27)25-19(23(29)24-3)13-16-8-5-4-6-9-16/h4-11,15,17-19,30H,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t17-,18+,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d1md00187f BindingDB Entry DOI: 10.7270/Q2N01BG9
					More data for this Ligand-Target Pair				3D Structure (crystal)
VIM-1 metallo-beta-lactamase (Klebsiella pneumoniae)	BDBM50585871 (CHEMBL5092510) Show SMILES CN(C)S(=O)(=O)c1ccc(NC(=O)CCS)cc1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli VIM-1 using fluorocillin as substrate incubated for 30 mins by fluorescence based assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01755 BindingDB Entry DOI: 10.7270/Q2QN6BP2
					More data for this Ligand-Target Pair
VIM-1 metallo-beta-lactamase (Klebsiella pneumoniae)	BDBM50585865 (CHEMBL5085398) Show SMILES CCN(CC)Cc1cccc(NC(=O)CCS)c1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli VIM-1 using fluorocillin as substrate incubated for 30 mins by fluorescence based assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01755 BindingDB Entry DOI: 10.7270/Q2QN6BP2
					More data for this Ligand-Target Pair
VIM-1 metallo-beta-lactamase (Klebsiella pneumoniae)	BDBM50585852 (CHEMBL4790849) Show SMILES OC(=O)[C@H]1CCCCN1C(=O)C(CS)Cc1ccccc1 |r| Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli VIM-1 using fluorocillin as substrate incubated for 30 mins by fluorescence based assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01755 BindingDB Entry DOI: 10.7270/Q2QN6BP2
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50241141 (CHEMBL4083383) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(cc1)C#N Show InChI InChI=1S/C19H20N2O/c1-19(2,3)17-10-8-16(9-11-17)18(22)21-13-15-6-4-14(12-20)5-7-15/h4-11H,13H2,1-3H3,(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	910	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Frankfurt Curated by ChEMBL					Assay Description Inhibition of recombinant human sEH using PHOME as substrate preincubated for 30 mins followed by substrate addition measured for 30 mins by fluoresc...				J Med Chem 60: 7703-7724 (2017) Article DOI: 10.1021/acs.jmedchem.7b00398 BindingDB Entry DOI: 10.7270/Q2N3003W
					More data for this Ligand-Target Pair
VIM-1 metallo-beta-lactamase (Klebsiella pneumoniae)	BDBM50585866 (CHEMBL5082642) Show SMILES NCc1cccc(NC(=O)CCS)c1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli VIM-1 using fluorocillin as substrate incubated for 30 mins by fluorescence based assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01755 BindingDB Entry DOI: 10.7270/Q2QN6BP2
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50241082 (CHEMBL4098909) Show SMILES CC(=O)Nc1ccc(CNC(=O)c2ccc(cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C20H24N2O2/c1-14(23)22-18-11-5-15(6-12-18)13-21-19(24)16-7-9-17(10-8-16)20(2,3)4/h5-12H,13H2,1-4H3,(H,21,24)(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Frankfurt Curated by ChEMBL					Assay Description Inhibition of recombinant human sEH using PHOME as substrate preincubated for 30 mins followed by substrate addition measured for 30 mins by fluoresc...				J Med Chem 60: 7703-7724 (2017) Article DOI: 10.1021/acs.jmedchem.7b00398 BindingDB Entry DOI: 10.7270/Q2N3003W
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50241149 (CHEMBL4102626) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H23NO3S/c1-19(2,3)16-9-7-15(8-10-16)18(21)20-13-14-5-11-17(12-6-14)24(4,22)23/h5-12H,13H2,1-4H3,(H,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Frankfurt Curated by ChEMBL					Assay Description Inhibition of recombinant v-Abl tyrosine kinase.				J Med Chem 60: 7703-7724 (2017) Article DOI: 10.1021/acs.jmedchem.7b00398 BindingDB Entry DOI: 10.7270/Q2N3003W
					More data for this Ligand-Target Pair
VIM-1 metallo-beta-lactamase (Klebsiella pneumoniae)	BDBM50585862 (CHEMBL5090517) Show SMILES OC(=O)c1cccc(NC(=O)CCS)c1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli VIM-1 using fluorocillin as substrate incubated for 30 mins by fluorescence based assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01755 BindingDB Entry DOI: 10.7270/Q2QN6BP2
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50241110 (CHEMBL4081891) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(cc1)C(N)=O Show InChI InChI=1S/C19H22N2O2/c1-19(2,3)16-10-8-15(9-11-16)18(23)21-12-13-4-6-14(7-5-13)17(20)22/h4-11H,12H2,1-3H3,(H2,20,22)(H,21,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Frankfurt Curated by ChEMBL					Assay Description Inhibition of recombinant v-Abl tyrosine kinase.				J Med Chem 60: 7703-7724 (2017) Article DOI: 10.1021/acs.jmedchem.7b00398 BindingDB Entry DOI: 10.7270/Q2N3003W
					More data for this Ligand-Target Pair
VIM-1 metallo-beta-lactamase (Klebsiella pneumoniae)	BDBM50585858 (CHEMBL5078579) Show SMILES CS(=O)(=O)Nc1cccc(NC(=O)CCS)c1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli VIM-1 using fluorocillin as substrate incubated for 30 mins by fluorescence based assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01755 BindingDB Entry DOI: 10.7270/Q2QN6BP2
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50241135 (CHEMBL4060350) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(cc1F)C(O)=O Show InChI InChI=1S/C19H20FNO3/c1-19(2,3)15-8-6-12(7-9-15)17(22)21-11-14-5-4-13(18(23)24)10-16(14)20/h4-10H,11H2,1-3H3,(H,21,22)(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.43E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Frankfurt Curated by ChEMBL					Assay Description Inhibition of recombinant v-Abl tyrosine kinase.				J Med Chem 60: 7703-7724 (2017) Article DOI: 10.1021/acs.jmedchem.7b00398 BindingDB Entry DOI: 10.7270/Q2N3003W
					More data for this Ligand-Target Pair
VIM-1 metallo-beta-lactamase (Klebsiella pneumoniae)	BDBM50585870 (CHEMBL5075199) Show SMILES CN1CCN(Cc2ccc(NC(=O)CCS)cc2)CC1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli VIM-1 using fluorocillin as substrate incubated for 30 mins by fluorescence based assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01755 BindingDB Entry DOI: 10.7270/Q2QN6BP2
					More data for this Ligand-Target Pair
VIM-1 metallo-beta-lactamase (Klebsiella pneumoniae)	BDBM50585863 (CHEMBL5086797) Show SMILES OS(=O)(=O)c1cccc(NC(=O)CCS)c1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli VIM-1 using fluorocillin as substrate incubated for 30 mins by fluorescence based assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01755 BindingDB Entry DOI: 10.7270/Q2QN6BP2
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50241131 (CHEMBL4072573) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(CCC(O)=O)cc1 Show InChI InChI=1S/C21H25NO3/c1-21(2,3)18-11-9-17(10-12-18)20(25)22-14-16-6-4-15(5-7-16)8-13-19(23)24/h4-7,9-12H,8,13-14H2,1-3H3,(H,22,25)(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Frankfurt Curated by ChEMBL					Assay Description Inhibition of recombinant human sEH using PHOME as substrate preincubated for 30 mins followed by substrate addition measured for 30 mins by fluoresc...				J Med Chem 60: 7703-7724 (2017) Article DOI: 10.1021/acs.jmedchem.7b00398 BindingDB Entry DOI: 10.7270/Q2N3003W
					More data for this Ligand-Target Pair
VIM-1 metallo-beta-lactamase (Klebsiella pneumoniae)	BDBM50585874 (CHEMBL5083400) Show SMILES SCCC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli VIM-1 using fluorocillin as substrate incubated for 30 mins by fluorescence based assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01755 BindingDB Entry DOI: 10.7270/Q2QN6BP2
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50063918 ((2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methyl...) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO Show InChI InChI=1S/C23H31N3O4S2/c1-15(2)12-17(18(22(28)26-30)14-32-20-10-7-11-31-20)21(27)25-19(23(29)24-3)13-16-8-5-4-6-9-16/h4-11,15,17-19,30H,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t17-,18+,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d1md00187f BindingDB Entry DOI: 10.7270/Q2N01BG9
					More data for this Ligand-Target Pair
VIM-1 metallo-beta-lactamase (Klebsiella pneumoniae)	BDBM50585861 (CHEMBL5087521) Show SMILES CS(=O)(=O)Nc1ccccc1NC(=O)CCS Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli VIM-1 using fluorocillin as substrate incubated for 30 mins by fluorescence based assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01755 BindingDB Entry DOI: 10.7270/Q2QN6BP2
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50241079 (CHEMBL4072936) Show SMILES CNC(=O)c1ccc(CNC(=O)c2ccc(cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C20H24N2O2/c1-20(2,3)17-11-9-16(10-12-17)19(24)22-13-14-5-7-15(8-6-14)18(23)21-4/h5-12H,13H2,1-4H3,(H,21,23)(H,22,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Frankfurt Curated by ChEMBL					Assay Description Inhibition of the epidermal growth factor receptor expressed in A431 cell line				J Med Chem 60: 7703-7724 (2017) Article DOI: 10.1021/acs.jmedchem.7b00398 BindingDB Entry DOI: 10.7270/Q2N3003W
					More data for this Ligand-Target Pair
VIM-1 metallo-beta-lactamase (Klebsiella pneumoniae)	BDBM50585872 (CHEMBL5079481) Show SMILES NC(=O)NS(=O)(=O)c1ccc(NC(=O)CCS)cc1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Escherichia coli VIM-1 using fluorocillin as substrate incubated for 30 mins by fluorescence based assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01755 BindingDB Entry DOI: 10.7270/Q2QN6BP2
					More data for this Ligand-Target Pair
Bifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50241140 (CHEMBL4096300) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)NCc1ccc(CO)cc1 Show InChI InChI=1S/C19H23NO2/c1-19(2,3)17-10-8-16(9-11-17)18(22)20-12-14-4-6-15(13-21)7-5-14/h4-11,21H,12-13H2,1-3H3,(H,20,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
Goethe University Frankfurt Curated by ChEMBL					Assay Description The compound was tested for its affinity against HIV-1 protease				J Med Chem 60: 7703-7724 (2017) Article DOI: 10.1021/acs.jmedchem.7b00398 BindingDB Entry DOI: 10.7270/Q2N3003W
					More data for this Ligand-Target Pair
VIM-1 metallo-beta-lactamase (Klebsiella pneumoniae)	BDBM50585856 (CHEMBL5086580) Show SMILES OC(=O)c1ccccc1NC(=O)CCS Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	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					Assay Description Inhibition of Escherichia coli VIM-1 using fluorocillin as substrate incubated for 30 mins by fluorescence based assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01755 BindingDB Entry DOI: 10.7270/Q2QN6BP2
					More data for this Ligand-Target Pair

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