Compile Data Set for Download or QSAR

Found 145 hits with Last Name = 'brem' and Initial = 'j'   

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
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50049757 (()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...) Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	0.0460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Binding affinity against nicotinic acetylcholine receptor alpha4-beta2 using [3H]epibatidine as radioligand expressed in HEK293 cells or tsA cells				Bioorg Med Chem Lett 14: 271-3 (2003) BindingDB Entry DOI: 10.7270/Q2MC8ZD0
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-4 (Homo sapiens (Human))	BDBM50049757 (()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...) Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	0.0720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Binding affinity against nicotinic acetylcholine receptor using [3H]epibatidine as radioligand in rat brain tissue				Bioorg Med Chem Lett 14: 271-3 (2003) BindingDB Entry DOI: 10.7270/Q2MC8ZD0
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor; alpha2/beta4 (Homo sapiens (Human))	BDBM50049757 (()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...) Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	0.0910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Agonistic potency against nicotinic acetylcholine receptor alpha3-beta4				Bioorg Med Chem Lett 14: 271-3 (2003) BindingDB Entry DOI: 10.7270/Q2MC8ZD0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Homo sapiens (Human))	BDBM50049757 (()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...) Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PubMed	0.457	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Binding affinity of the compound was determined against Nicotinic acetylcholine receptor using [3H]-(-)-nicotine radioligand				Bioorg Med Chem Lett 14: 271-3 (2003) BindingDB Entry DOI: 10.7270/Q2MC8ZD0
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50137787 (6-(6-Chloro-pyridin-3-yl)-8-aza-bicyclo[3.2.1]octa...) Show SMILES OC1CC2CC(C(C1)N2)c1ccc(Cl)nc1 |TLB:0:1:8:5.4,THB:9:5:8:7.2.1| Show InChI InChI=1S/C12H15ClN2O/c13-12-2-1-7(6-14-12)10-4-8-3-9(16)5-11(10)15-8/h1-2,6,8-11,15-16H,3-5H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Binding affinity against nicotinic acetylcholine receptor alpha4-beta2 using [3H]epibatidine as radioligand expressed in HEK293 cells or tsA cells				Bioorg Med Chem Lett 14: 271-3 (2003) BindingDB Entry DOI: 10.7270/Q2MC8ZD0
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM82070 (CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...) Show SMILES CN1CCC[C@H]1c1cccnc1 |r| Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PDB PubMed	9.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Binding affinity against nicotinic acetylcholine receptor using [3H]epibatidine as radioligand in rat brain tissue				Bioorg Med Chem Lett 14: 271-3 (2003) BindingDB Entry DOI: 10.7270/Q2MC8ZD0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuronal acetylcholine receptor; alpha2/beta4 (Homo sapiens (Human))	BDBM50137787 (6-(6-Chloro-pyridin-3-yl)-8-aza-bicyclo[3.2.1]octa...) Show SMILES OC1CC2CC(C(C1)N2)c1ccc(Cl)nc1 |TLB:0:1:8:5.4,THB:9:5:8:7.2.1| Show InChI InChI=1S/C12H15ClN2O/c13-12-2-1-7(6-14-12)10-4-8-3-9(16)5-11(10)15-8/h1-2,6,8-11,15-16H,3-5H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description In vitro ability to displace [3H]-(-)-cytisine binding to whole rat brain membranes at Nicotinic acetylcholine receptor alpha4-beta2				Bioorg Med Chem Lett 14: 271-3 (2003) BindingDB Entry DOI: 10.7270/Q2MC8ZD0
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-4 (Homo sapiens (Human))	BDBM50137787 (6-(6-Chloro-pyridin-3-yl)-8-aza-bicyclo[3.2.1]octa...) Show SMILES OC1CC2CC(C(C1)N2)c1ccc(Cl)nc1 |TLB:0:1:8:5.4,THB:9:5:8:7.2.1| Show InChI InChI=1S/C12H15ClN2O/c13-12-2-1-7(6-14-12)10-4-8-3-9(16)5-11(10)15-8/h1-2,6,8-11,15-16H,3-5H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Binding affinity against nicotinic acetylcholine receptor alpha2-beta4 using [3H]epibatidine as radioligand expressed in HEK293 cells or tsA cells				Bioorg Med Chem Lett 14: 271-3 (2003) BindingDB Entry DOI: 10.7270/Q2MC8ZD0
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Homo sapiens (Human))	BDBM50137787 (6-(6-Chloro-pyridin-3-yl)-8-aza-bicyclo[3.2.1]octa...) Show SMILES OC1CC2CC(C(C1)N2)c1ccc(Cl)nc1 |TLB:0:1:8:5.4,THB:9:5:8:7.2.1| Show InChI InChI=1S/C12H15ClN2O/c13-12-2-1-7(6-14-12)10-4-8-3-9(16)5-11(10)15-8/h1-2,6,8-11,15-16H,3-5H2	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	88	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Binding affinity against nicotinic acetylcholine receptor alpha4-beta2 using [3H]epibatidine as radioligand expressed in HEK293 cells or tsA cells				Bioorg Med Chem Lett 14: 271-3 (2003) BindingDB Entry DOI: 10.7270/Q2MC8ZD0
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor; alpha2/beta4 (Homo sapiens (Human))	BDBM82070 (CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...) Show SMILES CN1CCC[C@H]1c1cccnc1 |r| Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PubMed	103	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Binding affinity against nicotinic acetylcholine receptor alpha2-beta4 using [3H]epibatidine as radioligand expressed in HEK293 cells or tsA cells				Bioorg Med Chem Lett 14: 271-3 (2003) BindingDB Entry DOI: 10.7270/Q2MC8ZD0
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-4 (Homo sapiens (Human))	BDBM82070 (CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...) Show SMILES CN1CCC[C@H]1c1cccnc1 |r| Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PDB PubMed	129	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Binding affinity against nicotinic acetylcholine receptor alpha4-beta4 using [3H]epibatidine as radioligand expressed in HEK293 cells or tsA cells				Bioorg Med Chem Lett 14: 271-3 (2003) BindingDB Entry DOI: 10.7270/Q2MC8ZD0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Homo sapiens (Human))	BDBM82070 (CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...) Show SMILES CN1CCC[C@H]1c1cccnc1 |r| Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wollongong Curated by ChEMBL					Assay Description Binding affinity against nicotinic acetylcholine receptor alpha3-beta4 using [3H]epibatidine as radioligand expressed in HEK293 cells or tsA cells				Bioorg Med Chem Lett 14: 271-3 (2003) BindingDB Entry DOI: 10.7270/Q2MC8ZD0
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50505403 (CHEMBL4533632) Show SMILES NCc1ccc(cc1)C(=O)N[C@H]1Cc2cccc(C(O)=O)c2OB1O |r| Show InChI InChI=1S/C17H17BN2O5/c19-9-10-4-6-11(7-5-10)16(21)20-14-8-12-2-1-3-13(17(22)23)15(12)25-18(14)24/h1-7,14,24H,8-9,19H2,(H,20,21)(H,22,23)/t14-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant bacterial class A serine beta-lactamase TEM-1 expressed in Escherichia coli assessed as reduction in breakdown of cephalosp...				J Med Chem 62: 8544-8556 (2019) Article DOI: 10.1021/acs.jmedchem.9b00911 BindingDB Entry DOI: 10.7270/Q2P272DC
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Bacillus cereus)	BDBM50271950 (CHEMBL4127821) Show SMILES OC(=O)C(\S)=C\c1c(F)cccc1Cl Show InChI InChI=1S/C9H6ClFO2S/c10-6-2-1-3-7(11)5(6)4-8(14)9(12)13/h1-4,14H,(H,12,13)/b8-4-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant Bacillus cereus BC2 expressed in Escherichia coli BL21 (DE3) cells using FC4-FC5 as substrate by fluorescence-based assay				Bioorg Med Chem 26: 2928-2936 (2018) Article DOI: 10.1016/j.bmc.2018.02.043 BindingDB Entry DOI: 10.7270/Q2M61NRC
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Bacillus cereus)	BDBM50271847 (CHEMBL4127736) Show SMILES OC(=O)C(\S)=C\c1c(Cl)cccc1Cl Show InChI InChI=1S/C9H6Cl2O2S/c10-6-2-1-3-7(11)5(6)4-8(14)9(12)13/h1-4,14H,(H,12,13)/b8-4-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant Bacillus cereus BC2 expressed in Escherichia coli BL21 (DE3) cells using FC4-FC5 as substrate by fluorescence-based assay				Bioorg Med Chem 26: 2928-2936 (2018) Article DOI: 10.1016/j.bmc.2018.02.043 BindingDB Entry DOI: 10.7270/Q2M61NRC
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Bacillus cereus)	BDBM50271833 (CHEMBL3792857) Show SMILES OC(=O)C(\S)=C\c1c(Cl)ccc(Cl)c1Cl Show InChI InChI=1S/C9H5Cl3O2S/c10-5-1-2-6(11)8(12)4(5)3-7(15)9(13)14/h1-3,15H,(H,13,14)/b7-3-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant Bacillus cereus BC2 expressed in Escherichia coli BL21 (DE3) cells using FC4-FC5 as substrate by fluorescence-based assay				Bioorg Med Chem 26: 2928-2936 (2018) Article DOI: 10.1016/j.bmc.2018.02.043 BindingDB Entry DOI: 10.7270/Q2M61NRC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Metallo-beta-lactamase type 2 (Bacillus cereus)	BDBM50271878 (CHEMBL4125829) Show SMILES OC(=O)C(\S)=C\c1c(F)cccc1F Show InChI InChI=1S/C9H6F2O2S/c10-6-2-1-3-7(11)5(6)4-8(14)9(12)13/h1-4,14H,(H,12,13)/b8-4-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant Bacillus cereus BC2 expressed in Escherichia coli BL21 (DE3) cells using FC4-FC5 as substrate by fluorescence-based assay				Bioorg Med Chem 26: 2928-2936 (2018) Article DOI: 10.1016/j.bmc.2018.02.043 BindingDB Entry DOI: 10.7270/Q2M61NRC
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Bacillus cereus)	BDBM50271834 (CHEMBL3234727) Show SMILES OC(=O)C(S)c1ccccc1 Show InChI InChI=1S/C8H8O2S/c9-8(10)7(11)6-4-2-1-3-5-6/h1-5,7,11H,(H,9,10)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant Bacillus cereus BC2 expressed in Escherichia coli BL21 (DE3) cells using FC4-FC5 as substrate by fluorescence-based assay				Bioorg Med Chem 26: 2928-2936 (2018) Article DOI: 10.1016/j.bmc.2018.02.043 BindingDB Entry DOI: 10.7270/Q2M61NRC
					More data for this Ligand-Target Pair
Peptidoglycan D,D-transpeptidase FtsI (Pseudomonas aeruginosa)	BDBM50240426 ((2S,5R,6R)-6-{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazi...) Show SMILES CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O)c2ccccc2)C(=O)C1=O |r| Show InChI InChI=1S/C23H27N5O7S/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34)/t13-,14-,15+,20-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	166	n/a	n/a	n/a	n/a	7.2	25
University of Oxford					Assay Description An appropriate amount of enzyme (4uM) was pre-incubated with the (5R)- or 5(S)-penicilloic acid in the assay buffer (50mM HEPES-NaOH buffer (pH 7.2) ...				ACS Chem Biol 8: 2112-6 (2013) Article DOI: 10.1021/cb400200h BindingDB Entry DOI: 10.7270/Q2VT1QRK
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Bacillus cereus)	BDBM50271963 (CHEMBL1559342) Show SMILES CN1CCN(CC1)NC(=O)CN1C(=S)S\C(=C/c2c(Cl)cccc2Cl)C1=O Show InChI InChI=1S/C17H18Cl2N4O2S2/c1-21-5-7-22(8-6-21)20-15(24)10-23-16(25)14(27-17(23)26)9-11-12(18)3-2-4-13(11)19/h2-4,9H,5-8,10H2,1H3,(H,20,24)/b14-9-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant Bacillus cereus BC2 expressed in Escherichia coli BL21 (DE3) cells using FC4-FC5 as substrate by fluorescence-based assay				Bioorg Med Chem 26: 2928-2936 (2018) Article DOI: 10.1016/j.bmc.2018.02.043 BindingDB Entry DOI: 10.7270/Q2M61NRC
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Bacillus cereus)	BDBM50271893 (CHEMBL4128221) Show SMILES OC(=O)C(\S)=C\c1ccccc1Cc1ccc2ccccc2c1 Show InChI InChI=1S/C20H16O2S/c21-20(22)19(23)13-18-8-4-3-7-17(18)12-14-9-10-15-5-1-2-6-16(15)11-14/h1-11,13,23H,12H2,(H,21,22)/b19-13-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant Bacillus cereus BC2 expressed in Escherichia coli BL21 (DE3) cells using FC4-FC5 as substrate by fluorescence-based assay				Bioorg Med Chem 26: 2928-2936 (2018) Article DOI: 10.1016/j.bmc.2018.02.043 BindingDB Entry DOI: 10.7270/Q2M61NRC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Metallo-beta-lactamase type 2 (Bacillus cereus)	BDBM50271889 (CHEMBL4129411) Show SMILES Cc1cccc(C)c1\C=C(/S)C(O)=O Show InChI InChI=1S/C11H12O2S/c1-7-4-3-5-8(2)9(7)6-10(14)11(12)13/h3-6,14H,1-2H3,(H,12,13)/b10-6-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant Bacillus cereus BC2 expressed in Escherichia coli BL21 (DE3) cells using FC4-FC5 as substrate by fluorescence-based assay				Bioorg Med Chem 26: 2928-2936 (2018) Article DOI: 10.1016/j.bmc.2018.02.043 BindingDB Entry DOI: 10.7270/Q2M61NRC
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Aeromonas hydrophila)	BDBM50271833 (CHEMBL3792857) Show SMILES OC(=O)C(\S)=C\c1c(Cl)ccc(Cl)c1Cl Show InChI InChI=1S/C9H5Cl3O2S/c10-5-1-2-6(11)8(12)4(5)3-7(15)9(13)14/h1-3,15H,(H,13,14)/b7-3-	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of Aeromonas hydrophila CphA using fluorogenic cephalosporin as substrate				Bioorg Med Chem 26: 2928-2936 (2018) Article DOI: 10.1016/j.bmc.2018.02.043 BindingDB Entry DOI: 10.7270/Q2M61NRC
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Bacillus cereus)	BDBM50247639 (CHEMBL4068716) Show SMILES CN1CCN(CC1)NC(=O)CN1C(=S)S\C(=C/c2c(Cl)ccc(Cl)c2Cl)C1=O Show InChI InChI=1S/C17H17Cl3N4O2S2/c1-22-4-6-23(7-5-22)21-14(25)9-24-16(26)13(28-17(24)27)8-10-11(18)2-3-12(19)15(10)20/h2-3,8H,4-7,9H2,1H3,(H,21,25)/b13-8-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant Bacillus cereus BC2 expressed in Escherichia coli BL21 (DE3) cells using FC4-FC5 as substrate by fluorescence-based assay				Bioorg Med Chem 26: 2928-2936 (2018) Article DOI: 10.1016/j.bmc.2018.02.043 BindingDB Entry DOI: 10.7270/Q2M61NRC
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Bacillus cereus)	BDBM50271952 (CHEMBL4126465) Show SMILES OC(=O)C(\S)=C\c1c(F)ccc(F)c1F Show InChI InChI=1S/C9H5F3O2S/c10-5-1-2-6(11)8(12)4(5)3-7(15)9(13)14/h1-3,15H,(H,13,14)/b7-3-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant Bacillus cereus BC2 expressed in Escherichia coli BL21 (DE3) cells using FC4-FC5 as substrate by fluorescence-based assay				Bioorg Med Chem 26: 2928-2936 (2018) Article DOI: 10.1016/j.bmc.2018.02.043 BindingDB Entry DOI: 10.7270/Q2M61NRC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Metallo-beta-lactamase type 2 (Bacillus cereus)	BDBM50271891 (CHEMBL4129450) Show SMILES CN1CCN(CC1)NC(=O)CN1C(=O)S\C(=C/c2c(Cl)ccc(Cl)c2Cl)C1=O Show InChI InChI=1S/C17H17Cl3N4O3S/c1-22-4-6-23(7-5-22)21-14(25)9-24-16(26)13(28-17(24)27)8-10-11(18)2-3-12(19)15(10)20/h2-3,8H,4-7,9H2,1H3,(H,21,25)/b13-8-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant Bacillus cereus BC2 expressed in Escherichia coli BL21 (DE3) cells using FC4-FC5 as substrate by fluorescence-based assay				Bioorg Med Chem 26: 2928-2936 (2018) Article DOI: 10.1016/j.bmc.2018.02.043 BindingDB Entry DOI: 10.7270/Q2M61NRC
					More data for this Ligand-Target Pair
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM34233 (2-Phenyl-benzo[d]isoselenazol-3-one | 2-Phenyl-ben...) Show SMILES O=c1n([se]c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human BBOX pre-incubated for 1 min using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay				Bioorg Med Chem Lett 24: 4954-7 (2014) Article DOI: 10.1016/j.bmcl.2014.09.035 BindingDB Entry DOI: 10.7270/Q2D2207X
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Bacillus cereus)	BDBM50271835 (CHEMBL4095898) Show SMILES OC(=O)C(\S)=C\c1ccccc1 Show InChI InChI=1S/C9H8O2S/c10-9(11)8(12)6-7-4-2-1-3-5-7/h1-6,12H,(H,10,11)/b8-6-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant Bacillus cereus BC2 expressed in Escherichia coli BL21 (DE3) cells using FC4-FC5 as substrate by fluorescence-based assay				Bioorg Med Chem 26: 2928-2936 (2018) Article DOI: 10.1016/j.bmc.2018.02.043 BindingDB Entry DOI: 10.7270/Q2M61NRC
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Bacillus cereus)	BDBM50271824 (CHEMBL4129233) Show SMILES Cc1ccc(\C=C(/S)C(O)=O)cc1 Show InChI InChI=1S/C10H10O2S/c1-7-2-4-8(5-3-7)6-9(13)10(11)12/h2-6,13H,1H3,(H,11,12)/b9-6-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant Bacillus cereus BC2 expressed in Escherichia coli BL21 (DE3) cells using FC4-FC5 as substrate by fluorescence-based assay				Bioorg Med Chem 26: 2928-2936 (2018) Article DOI: 10.1016/j.bmc.2018.02.043 BindingDB Entry DOI: 10.7270/Q2M61NRC
					More data for this Ligand-Target Pair
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM34233 (2-Phenyl-benzo[d]isoselenazol-3-one | 2-Phenyl-ben...) Show SMILES O=c1n([se]c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human BBOX pre-incubated for 10 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay				Bioorg Med Chem Lett 24: 4954-7 (2014) Article DOI: 10.1016/j.bmcl.2014.09.035 BindingDB Entry DOI: 10.7270/Q2D2207X
					More data for this Ligand-Target Pair
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM34233 (2-Phenyl-benzo[d]isoselenazol-3-one | 2-Phenyl-ben...) Show SMILES O=c1n([se]c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	720	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human BBOX pre-incubated for 25 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay				Bioorg Med Chem Lett 24: 4954-7 (2014) Article DOI: 10.1016/j.bmcl.2014.09.035 BindingDB Entry DOI: 10.7270/Q2D2207X
					More data for this Ligand-Target Pair
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM34233 (2-Phenyl-benzo[d]isoselenazol-3-one | 2-Phenyl-ben...) Show SMILES O=c1n([se]c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human BBOX pre-incubated for 15 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay				Bioorg Med Chem Lett 24: 4954-7 (2014) Article DOI: 10.1016/j.bmcl.2014.09.035 BindingDB Entry DOI: 10.7270/Q2D2207X
					More data for this Ligand-Target Pair
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM34233 (2-Phenyl-benzo[d]isoselenazol-3-one | 2-Phenyl-ben...) Show SMILES O=c1n([se]c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human BBOX pre-incubated for 20 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay				Bioorg Med Chem Lett 24: 4954-7 (2014) Article DOI: 10.1016/j.bmcl.2014.09.035 BindingDB Entry DOI: 10.7270/Q2D2207X
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Bacillus cereus)	BDBM50271798 (CHEMBL3221923) Show SMILES OC(=O)C(\S)=C\c1ccccc1Cl Show InChI InChI=1S/C9H7ClO2S/c10-7-4-2-1-3-6(7)5-8(13)9(11)12/h1-5,13H,(H,11,12)/b8-5-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant Bacillus cereus BC2 expressed in Escherichia coli BL21 (DE3) cells using FC4-FC5 as substrate by fluorescence-based assay				Bioorg Med Chem 26: 2928-2936 (2018) Article DOI: 10.1016/j.bmc.2018.02.043 BindingDB Entry DOI: 10.7270/Q2M61NRC
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Bacillus cereus)	BDBM50271868 (CHEMBL4125695) Show SMILES OC(=O)C(\S)=C\c1cccc(Cl)c1Cl Show InChI InChI=1S/C9H6Cl2O2S/c10-6-3-1-2-5(8(6)11)4-7(14)9(12)13/h1-4,14H,(H,12,13)/b7-4-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant Bacillus cereus BC2 expressed in Escherichia coli BL21 (DE3) cells using FC4-FC5 as substrate by fluorescence-based assay				Bioorg Med Chem 26: 2928-2936 (2018) Article DOI: 10.1016/j.bmc.2018.02.043 BindingDB Entry DOI: 10.7270/Q2M61NRC
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Bacillus cereus)	BDBM50271867 (CHEMBL4128976) Show SMILES CN1CCN(CC1)NC(=O)CN1C(=S)S\C(=C/c2cccc(Cl)c2Cl)C1=O Show InChI InChI=1S/C17H18Cl2N4O2S2/c1-21-5-7-22(8-6-21)20-14(24)10-23-16(25)13(27-17(23)26)9-11-3-2-4-12(18)15(11)19/h2-4,9H,5-8,10H2,1H3,(H,20,24)/b13-9-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant Bacillus cereus BC2 expressed in Escherichia coli BL21 (DE3) cells using FC4-FC5 as substrate by fluorescence-based assay				Bioorg Med Chem 26: 2928-2936 (2018) Article DOI: 10.1016/j.bmc.2018.02.043 BindingDB Entry DOI: 10.7270/Q2M61NRC
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Bacillus cereus)	BDBM50271836 (CHEMBL4126979) Show SMILES OC(=O)C(S)Cc1ccccc1 Show InChI InChI=1S/C9H10O2S/c10-9(11)8(12)6-7-4-2-1-3-5-7/h1-5,8,12H,6H2,(H,10,11)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant Bacillus cereus BC2 expressed in Escherichia coli BL21 (DE3) cells using FC4-FC5 as substrate by fluorescence-based assay				Bioorg Med Chem 26: 2928-2936 (2018) Article DOI: 10.1016/j.bmc.2018.02.043 BindingDB Entry DOI: 10.7270/Q2M61NRC
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Bacillus cereus)	BDBM50271876 (CHEMBL4125965) Show SMILES OC(=O)C(\S)=C\c1cc(Cl)ccc1Cl Show InChI InChI=1S/C9H6Cl2O2S/c10-6-1-2-7(11)5(3-6)4-8(14)9(12)13/h1-4,14H,(H,12,13)/b8-4-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant Bacillus cereus BC2 expressed in Escherichia coli BL21 (DE3) cells using FC4-FC5 as substrate by fluorescence-based assay				Bioorg Med Chem 26: 2928-2936 (2018) Article DOI: 10.1016/j.bmc.2018.02.043 BindingDB Entry DOI: 10.7270/Q2M61NRC
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Bacillus cereus)	BDBM50271800 (CHEMBL4129222) Show SMILES CN1CCN(CC1)NC(=O)CN1C(=S)S\C(=C/c2c(F)cccc2Cl)C1=O Show InChI InChI=1S/C17H18ClFN4O2S2/c1-21-5-7-22(8-6-21)20-15(24)10-23-16(25)14(27-17(23)26)9-11-12(18)3-2-4-13(11)19/h2-4,9H,5-8,10H2,1H3,(H,20,24)/b14-9-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant Bacillus cereus BC2 expressed in Escherichia coli BL21 (DE3) cells using FC4-FC5 as substrate by fluorescence-based assay				Bioorg Med Chem 26: 2928-2936 (2018) Article DOI: 10.1016/j.bmc.2018.02.043 BindingDB Entry DOI: 10.7270/Q2M61NRC
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Aeromonas hydrophila)	BDBM50271835 (CHEMBL4095898) Show SMILES OC(=O)C(\S)=C\c1ccccc1 Show InChI InChI=1S/C9H8O2S/c10-9(11)8(12)6-7-4-2-1-3-5-7/h1-6,12H,(H,10,11)/b8-6-	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of Aeromonas hydrophila CphA using fluorogenic cephalosporin as substrate				Bioorg Med Chem 26: 2928-2936 (2018) Article DOI: 10.1016/j.bmc.2018.02.043 BindingDB Entry DOI: 10.7270/Q2M61NRC
					More data for this Ligand-Target Pair
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM50028968 (CHEMBL3335712) Show SMILES Cl[Se]c1ccccc1 Show InChI InChI=1S/C6H5ClSe/c7-8-6-4-2-1-3-5-6/h1-5H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human BBOX pre-incubated for 25 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay				Bioorg Med Chem Lett 24: 4954-7 (2014) Article DOI: 10.1016/j.bmcl.2014.09.035 BindingDB Entry DOI: 10.7270/Q2D2207X
					More data for this Ligand-Target Pair
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM50028971 (CHEMBL3335713) Show SMILES Br[Se]c1ccccc1 Show InChI InChI=1S/C6H5BrSe/c7-8-6-4-2-1-3-5-6/h1-5H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human BBOX pre-incubated for 25 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay				Bioorg Med Chem Lett 24: 4954-7 (2014) Article DOI: 10.1016/j.bmcl.2014.09.035 BindingDB Entry DOI: 10.7270/Q2D2207X
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Bacillus cereus)	BDBM50271915 (CHEMBL4129039) Show SMILES COc1ccc(\C=C(/S)C(O)=O)cc1 Show InChI InChI=1S/C10H10O3S/c1-13-8-4-2-7(3-5-8)6-9(14)10(11)12/h2-6,14H,1H3,(H,11,12)/b9-6-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant Bacillus cereus BC2 expressed in Escherichia coli BL21 (DE3) cells using FC4-FC5 as substrate by fluorescence-based assay				Bioorg Med Chem 26: 2928-2936 (2018) Article DOI: 10.1016/j.bmc.2018.02.043 BindingDB Entry DOI: 10.7270/Q2M61NRC
					More data for this Ligand-Target Pair
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM50028972 (Benzene Selenoic Acid) Show SMILES O[Se](=O)c1ccccc1 Show InChI InChI=1S/C6H6O2Se/c7-9(8)6-4-2-1-3-5-6/h1-5H,(H,7,8)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human BBOX pre-incubated for 25 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay				Bioorg Med Chem Lett 24: 4954-7 (2014) Article DOI: 10.1016/j.bmcl.2014.09.035 BindingDB Entry DOI: 10.7270/Q2D2207X
					More data for this Ligand-Target Pair
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM50028968 (CHEMBL3335712) Show SMILES Cl[Se]c1ccccc1 Show InChI InChI=1S/C6H5ClSe/c7-8-6-4-2-1-3-5-6/h1-5H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human BBOX pre-incubated for 20 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay				Bioorg Med Chem Lett 24: 4954-7 (2014) Article DOI: 10.1016/j.bmcl.2014.09.035 BindingDB Entry DOI: 10.7270/Q2D2207X
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Bacillus cereus)	BDBM50271825 (CHEMBL4127204) Show SMILES CN1CCN(CC1)NC(=O)CN1C(=S)S\C(=C/c2c(F)cccc2F)C1=O Show InChI InChI=1S/C17H18F2N4O2S2/c1-21-5-7-22(8-6-21)20-15(24)10-23-16(25)14(27-17(23)26)9-11-12(18)3-2-4-13(11)19/h2-4,9H,5-8,10H2,1H3,(H,20,24)/b14-9-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant Bacillus cereus BC2 expressed in Escherichia coli BL21 (DE3) cells using FC4-FC5 as substrate by fluorescence-based assay				Bioorg Med Chem 26: 2928-2936 (2018) Article DOI: 10.1016/j.bmc.2018.02.043 BindingDB Entry DOI: 10.7270/Q2M61NRC
					More data for this Ligand-Target Pair
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM50028971 (CHEMBL3335713) Show SMILES Br[Se]c1ccccc1 Show InChI InChI=1S/C6H5BrSe/c7-8-6-4-2-1-3-5-6/h1-5H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human BBOX pre-incubated for 20 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay				Bioorg Med Chem Lett 24: 4954-7 (2014) Article DOI: 10.1016/j.bmcl.2014.09.035 BindingDB Entry DOI: 10.7270/Q2D2207X
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Bacillus cereus)	BDBM50271802 (CHEMBL4126927) Show SMILES OC(=O)C(\S)=C\c1csc2ccccc12 Show InChI InChI=1S/C11H8O2S2/c12-11(13)9(14)5-7-6-15-10-4-2-1-3-8(7)10/h1-6,14H,(H,12,13)/b9-5-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of recombinant Bacillus cereus BC2 expressed in Escherichia coli BL21 (DE3) cells using FC4-FC5 as substrate by fluorescence-based assay				Bioorg Med Chem 26: 2928-2936 (2018) Article DOI: 10.1016/j.bmc.2018.02.043 BindingDB Entry DOI: 10.7270/Q2M61NRC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM50028968 (CHEMBL3335712) Show SMILES Cl[Se]c1ccccc1 Show InChI InChI=1S/C6H5ClSe/c7-8-6-4-2-1-3-5-6/h1-5H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human BBOX pre-incubated for 15 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay				Bioorg Med Chem Lett 24: 4954-7 (2014) Article DOI: 10.1016/j.bmcl.2014.09.035 BindingDB Entry DOI: 10.7270/Q2D2207X
					More data for this Ligand-Target Pair
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human))	BDBM50028971 (CHEMBL3335713) Show SMILES Br[Se]c1ccccc1 Show InChI InChI=1S/C6H5BrSe/c7-8-6-4-2-1-3-5-6/h1-5H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human BBOX pre-incubated for 10 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assay				Bioorg Med Chem Lett 24: 4954-7 (2014) Article DOI: 10.1016/j.bmcl.2014.09.035 BindingDB Entry DOI: 10.7270/Q2D2207X
					More data for this Ligand-Target Pair

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