Compile Data Set for Download or QSAR

Found 65 hits with Last Name = 'plantan' and Initial = 'i'   

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
Beta-lactamase TEM (Escherichia coli)	BDBM50218932 (CHEMBL396998 | sodium (8R,9R)-10(S)-[1(R)-hydroxye...) Show SMILES CCCCO[C@@H]1CCC[C@H]2[C@H]3N(C(=O)\C3=C\C)C(C([O-])=O)=C12 |t:21| Show InChI InChI=1S/C17H23NO4/c1-3-5-9-22-12-8-6-7-11-13(12)15(17(20)21)18-14(11)10(4-2)16(18)19/h4,11-12,14H,3,5-9H2,1-2H3,(H,20,21)/p-1/b10-4+/t11-,12-,14+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Lek Pharmaceuticals d.d. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli TEM1				J Med Chem 50: 4113-21 (2007) Article DOI: 10.1021/jm0703237 BindingDB Entry DOI: 10.7270/Q2FF3T5F
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50053173 ((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...) Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Lek Pharmaceuticals d.d. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli TEM1				J Med Chem 50: 4113-21 (2007) Article DOI: 10.1021/jm0703237 BindingDB Entry DOI: 10.7270/Q2FF3T5F
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50218936 (CHEMBL397438 | sodium (8S,9R)-10(E)-ethylidene-4(S...) Show SMILES C\C=C1/[C@H]2[C@H]3CCC[C@H](OCCC#N)C3=C(N2C1=O)C([O-])=O |c:15| Show InChI InChI=1S/C16H18N2O4/c1-2-9-13-10-5-3-6-11(22-8-4-7-17)12(10)14(16(20)21)18(13)15(9)19/h2,10-11,13H,3-6,8H2,1H3,(H,20,21)/p-1/b9-2+/t10-,11-,13-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Lek Pharmaceuticals d.d. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli TEM1				J Med Chem 50: 4113-21 (2007) Article DOI: 10.1021/jm0703237 BindingDB Entry DOI: 10.7270/Q2FF3T5F
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50218934 (CHEMBL395017 | sodium (8S,9R)-10(E)-ethylidene-4(S...) Show SMILES C\C=C1/[C@H]2[C@H]3CCC[C@H](OCCF)C3=C(N2C1=O)C([O-])=O |c:14| Show InChI InChI=1S/C15H18FNO4/c1-2-8-12-9-4-3-5-10(21-7-6-16)11(9)13(15(19)20)17(12)14(8)18/h2,9-10,12H,3-7H2,1H3,(H,19,20)/p-1/b8-2+/t9-,10-,12-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Lek Pharmaceuticals d.d. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli TEM1				J Med Chem 50: 4113-21 (2007) Article DOI: 10.1021/jm0703237 BindingDB Entry DOI: 10.7270/Q2FF3T5F
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50218933 (CHEMBL230859 | sodium (8R,9R)-10(E)-ethylidene-4(R...) Show SMILES CCO[C@@H]1CCC[C@H]2[C@H]3N(C(=O)\C3=C\C)C(C([O-])=O)=C12 |t:19| Show InChI InChI=1S/C15H19NO4/c1-3-8-12-9-6-5-7-10(20-4-2)11(9)13(15(18)19)16(12)14(8)17/h3,9-10,12H,4-7H2,1-2H3,(H,18,19)/p-1/b8-3+/t9-,10-,12+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Lek Pharmaceuticals d.d. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli TEM1				J Med Chem 50: 4113-21 (2007) Article DOI: 10.1021/jm0703237 BindingDB Entry DOI: 10.7270/Q2FF3T5F
					More data for this Ligand-Target Pair
Beta-lactamase SHV-1 (Klebsiella pneumoniae (Enterobacteria))	BDBM50021959 (CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...) Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Lek Pharmaceuticals d.d. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli SHV1				J Med Chem 50: 4113-21 (2007) Article DOI: 10.1021/jm0703237 BindingDB Entry DOI: 10.7270/Q2FF3T5F
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50021959 (CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...) Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Lek Pharmaceuticals d.d. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli TEM1				J Med Chem 50: 4113-21 (2007) Article DOI: 10.1021/jm0703237 BindingDB Entry DOI: 10.7270/Q2FF3T5F
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50218939 (CHEMBL230332 | sodium (5S,8aS,8bR)-5-butoxy-1-eth-...) Show SMILES CCCCO[C@H]1CCC[C@@H]2[C@H]3N(C(=O)\C3=C\C)C(C([O-])=O)=C12 |t:21| Show InChI InChI=1S/C17H23NO4/c1-3-5-9-22-12-8-6-7-11-13(12)15(17(20)21)18-14(11)10(4-2)16(18)19/h4,11-12,14H,3,5-9H2,1-2H3,(H,20,21)/p-1/b10-4+/t11-,12-,14-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Lek Pharmaceuticals d.d. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli TEM1				J Med Chem 50: 4113-21 (2007) Article DOI: 10.1021/jm0703237 BindingDB Entry DOI: 10.7270/Q2FF3T5F
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50218938 (CHEMBL396753 | sodium (8S,9R)-10(E)-ethylidene-4(S...) Show SMILES C\C=C1/[C@H]2[C@H]3CCC[C@H](OC(C)C)C3=C(N2C1=O)C([O-])=O |c:14| Show InChI InChI=1S/C16H21NO4/c1-4-9-13-10-6-5-7-11(21-8(2)3)12(10)14(16(19)20)17(13)15(9)18/h4,8,10-11,13H,5-7H2,1-3H3,(H,19,20)/p-1/b9-4+/t10-,11-,13-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Lek Pharmaceuticals d.d. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli TEM1				J Med Chem 50: 4113-21 (2007) Article DOI: 10.1021/jm0703237 BindingDB Entry DOI: 10.7270/Q2FF3T5F
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50218935 (CHEMBL396509 | sodium (8S,9R)-10(E)-ethylidene-4(S...) Show SMILES CO[C@H]1CCC[C@@H]2[C@H]3N(C(=O)\C3=C\C)C(C([O-])=O)=C12 |t:18| Show InChI InChI=1S/C14H17NO4/c1-3-7-11-8-5-4-6-9(19-2)10(8)12(14(17)18)15(11)13(7)16/h3,8-9,11H,4-6H2,1-2H3,(H,17,18)/p-1/b7-3+/t8-,9-,11-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Lek Pharmaceuticals d.d. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli TEM1				J Med Chem 50: 4113-21 (2007) Article DOI: 10.1021/jm0703237 BindingDB Entry DOI: 10.7270/Q2FF3T5F
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50218937 (CHEMBL230226 | sodium (8S,9R)-10(E)-ethylidene-4(S...) Show SMILES CCO[C@H]1CCC[C@@H]2[C@H]3N(C(=O)\C3=C\C)C(C([O-])=O)=C12 |t:19| Show InChI InChI=1S/C15H19NO4/c1-3-8-12-9-6-5-7-10(20-4-2)11(9)13(15(18)19)16(12)14(8)17/h3,9-10,12H,4-7H2,1-2H3,(H,18,19)/p-1/b8-3+/t9-,10-,12-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Lek Pharmaceuticals d.d. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli TEM1				J Med Chem 50: 4113-21 (2007) Article DOI: 10.1021/jm0703237 BindingDB Entry DOI: 10.7270/Q2FF3T5F
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50218935 (CHEMBL396509 | sodium (8S,9R)-10(E)-ethylidene-4(S...) Show SMILES CO[C@H]1CCC[C@@H]2[C@H]3N(C(=O)\C3=C\C)C(C([O-])=O)=C12 |t:18| Show InChI InChI=1S/C14H17NO4/c1-3-7-11-8-5-4-6-9(19-2)10(8)12(14(17)18)15(11)13(7)16/h3,8-9,11H,4-6H2,1-2H3,(H,17,18)/p-1/b7-3+/t8-,9-,11-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
Lek Pharmaceuticals d.d. Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae AmpC				J Med Chem 50: 4113-21 (2007) Article DOI: 10.1021/jm0703237 BindingDB Entry DOI: 10.7270/Q2FF3T5F
					More data for this Ligand-Target Pair
Beta-lactamase SHV-1 (Klebsiella pneumoniae (Enterobacteria))	BDBM50218934 (CHEMBL395017 | sodium (8S,9R)-10(E)-ethylidene-4(S...) Show SMILES C\C=C1/[C@H]2[C@H]3CCC[C@H](OCCF)C3=C(N2C1=O)C([O-])=O |c:14| Show InChI InChI=1S/C15H18FNO4/c1-2-8-12-9-4-3-5-10(21-7-6-16)11(9)13(15(19)20)17(12)14(8)18/h2,9-10,12H,3-7H2,1H3,(H,19,20)/p-1/b8-2+/t9-,10-,12-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	148	n/a	n/a	n/a	n/a	n/a	n/a
Lek Pharmaceuticals d.d. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli SHV1				J Med Chem 50: 4113-21 (2007) Article DOI: 10.1021/jm0703237 BindingDB Entry DOI: 10.7270/Q2FF3T5F
					More data for this Ligand-Target Pair
Beta-lactamase SHV-1 (Klebsiella pneumoniae (Enterobacteria))	BDBM50218935 (CHEMBL396509 | sodium (8S,9R)-10(E)-ethylidene-4(S...) Show SMILES CO[C@H]1CCC[C@@H]2[C@H]3N(C(=O)\C3=C\C)C(C([O-])=O)=C12 |t:18| Show InChI InChI=1S/C14H17NO4/c1-3-7-11-8-5-4-6-9(19-2)10(8)12(14(17)18)15(11)13(7)16/h3,8-9,11H,4-6H2,1-2H3,(H,17,18)/p-1/b7-3+/t8-,9-,11-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	151	n/a	n/a	n/a	n/a	n/a	n/a
Lek Pharmaceuticals d.d. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli SHV1				J Med Chem 50: 4113-21 (2007) Article DOI: 10.1021/jm0703237 BindingDB Entry DOI: 10.7270/Q2FF3T5F
					More data for this Ligand-Target Pair
Beta-lactamase SHV-1 (Klebsiella pneumoniae (Enterobacteria))	BDBM50218936 (CHEMBL397438 | sodium (8S,9R)-10(E)-ethylidene-4(S...) Show SMILES C\C=C1/[C@H]2[C@H]3CCC[C@H](OCCC#N)C3=C(N2C1=O)C([O-])=O |c:15| Show InChI InChI=1S/C16H18N2O4/c1-2-9-13-10-5-3-6-11(22-8-4-7-17)12(10)14(16(20)21)18(13)15(9)19/h2,10-11,13H,3-6,8H2,1H3,(H,20,21)/p-1/b9-2+/t10-,11-,13-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	152	n/a	n/a	n/a	n/a	n/a	n/a
Lek Pharmaceuticals d.d. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli SHV1				J Med Chem 50: 4113-21 (2007) Article DOI: 10.1021/jm0703237 BindingDB Entry DOI: 10.7270/Q2FF3T5F
					More data for this Ligand-Target Pair
Beta-lactamase SHV-1 (Klebsiella pneumoniae (Enterobacteria))	BDBM50218939 (CHEMBL230332 | sodium (5S,8aS,8bR)-5-butoxy-1-eth-...) Show SMILES CCCCO[C@H]1CCC[C@@H]2[C@H]3N(C(=O)\C3=C\C)C(C([O-])=O)=C12 |t:21| Show InChI InChI=1S/C17H23NO4/c1-3-5-9-22-12-8-6-7-11-13(12)15(17(20)21)18-14(11)10(4-2)16(18)19/h4,11-12,14H,3,5-9H2,1-2H3,(H,20,21)/p-1/b10-4+/t11-,12-,14-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	206	n/a	n/a	n/a	n/a	n/a	n/a
Lek Pharmaceuticals d.d. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli SHV1				J Med Chem 50: 4113-21 (2007) Article DOI: 10.1021/jm0703237 BindingDB Entry DOI: 10.7270/Q2FF3T5F
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50218936 (CHEMBL397438 | sodium (8S,9R)-10(E)-ethylidene-4(S...) Show SMILES C\C=C1/[C@H]2[C@H]3CCC[C@H](OCCC#N)C3=C(N2C1=O)C([O-])=O |c:15| Show InChI InChI=1S/C16H18N2O4/c1-2-9-13-10-5-3-6-11(22-8-4-7-17)12(10)14(16(20)21)18(13)15(9)19/h2,10-11,13H,3-6,8H2,1H3,(H,20,21)/p-1/b9-2+/t10-,11-,13-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	209	n/a	n/a	n/a	n/a	n/a	n/a
Lek Pharmaceuticals d.d. Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae AmpC				J Med Chem 50: 4113-21 (2007) Article DOI: 10.1021/jm0703237 BindingDB Entry DOI: 10.7270/Q2FF3T5F
					More data for this Ligand-Target Pair
Beta-lactamase SHV-1 (Klebsiella pneumoniae (Enterobacteria))	BDBM50218932 (CHEMBL396998 | sodium (8R,9R)-10(S)-[1(R)-hydroxye...) Show SMILES CCCCO[C@@H]1CCC[C@H]2[C@H]3N(C(=O)\C3=C\C)C(C([O-])=O)=C12 |t:21| Show InChI InChI=1S/C17H23NO4/c1-3-5-9-22-12-8-6-7-11-13(12)15(17(20)21)18-14(11)10(4-2)16(18)19/h4,11-12,14H,3,5-9H2,1-2H3,(H,20,21)/p-1/b10-4+/t11-,12-,14+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	219	n/a	n/a	n/a	n/a	n/a	n/a
Lek Pharmaceuticals d.d. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli SHV1				J Med Chem 50: 4113-21 (2007) Article DOI: 10.1021/jm0703237 BindingDB Entry DOI: 10.7270/Q2FF3T5F
					More data for this Ligand-Target Pair
Beta-lactamase SHV-1 (Klebsiella pneumoniae (Enterobacteria))	BDBM50053173 ((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...) Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	222	n/a	n/a	n/a	n/a	n/a	n/a
Lek Pharmaceuticals d.d. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli SHV1				J Med Chem 50: 4113-21 (2007) Article DOI: 10.1021/jm0703237 BindingDB Entry DOI: 10.7270/Q2FF3T5F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-lactamase (Enterobacter cloacae)	BDBM50218937 (CHEMBL230226 | sodium (8S,9R)-10(E)-ethylidene-4(S...) Show SMILES CCO[C@H]1CCC[C@@H]2[C@H]3N(C(=O)\C3=C\C)C(C([O-])=O)=C12 |t:19| Show InChI InChI=1S/C15H19NO4/c1-3-8-12-9-6-5-7-10(20-4-2)11(9)13(15(18)19)16(12)14(8)17/h3,9-10,12H,4-7H2,1-2H3,(H,18,19)/p-1/b8-3+/t9-,10-,12-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	229	n/a	n/a	n/a	n/a	n/a	n/a
Lek Pharmaceuticals d.d. Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae AmpC				J Med Chem 50: 4113-21 (2007) Article DOI: 10.1021/jm0703237 BindingDB Entry DOI: 10.7270/Q2FF3T5F
					More data for this Ligand-Target Pair
Beta-lactamase SHV-1 (Klebsiella pneumoniae (Enterobacteria))	BDBM50218933 (CHEMBL230859 | sodium (8R,9R)-10(E)-ethylidene-4(R...) Show SMILES CCO[C@@H]1CCC[C@H]2[C@H]3N(C(=O)\C3=C\C)C(C([O-])=O)=C12 |t:19| Show InChI InChI=1S/C15H19NO4/c1-3-8-12-9-6-5-7-10(20-4-2)11(9)13(15(18)19)16(12)14(8)17/h3,9-10,12H,4-7H2,1-2H3,(H,18,19)/p-1/b8-3+/t9-,10-,12+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	284	n/a	n/a	n/a	n/a	n/a	n/a
Lek Pharmaceuticals d.d. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli SHV1				J Med Chem 50: 4113-21 (2007) Article DOI: 10.1021/jm0703237 BindingDB Entry DOI: 10.7270/Q2FF3T5F
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50218933 (CHEMBL230859 | sodium (8R,9R)-10(E)-ethylidene-4(R...) Show SMILES CCO[C@@H]1CCC[C@H]2[C@H]3N(C(=O)\C3=C\C)C(C([O-])=O)=C12 |t:19| Show InChI InChI=1S/C15H19NO4/c1-3-8-12-9-6-5-7-10(20-4-2)11(9)13(15(18)19)16(12)14(8)17/h3,9-10,12H,4-7H2,1-2H3,(H,18,19)/p-1/b8-3+/t9-,10-,12+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	295	n/a	n/a	n/a	n/a	n/a	n/a
Lek Pharmaceuticals d.d. Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae AmpC				J Med Chem 50: 4113-21 (2007) Article DOI: 10.1021/jm0703237 BindingDB Entry DOI: 10.7270/Q2FF3T5F
					More data for this Ligand-Target Pair
Beta-lactamase SHV-1 (Klebsiella pneumoniae (Enterobacteria))	BDBM50218938 (CHEMBL396753 | sodium (8S,9R)-10(E)-ethylidene-4(S...) Show SMILES C\C=C1/[C@H]2[C@H]3CCC[C@H](OC(C)C)C3=C(N2C1=O)C([O-])=O |c:14| Show InChI InChI=1S/C16H21NO4/c1-4-9-13-10-6-5-7-11(21-8(2)3)12(10)14(16(19)20)17(13)15(9)18/h4,8,10-11,13H,5-7H2,1-3H3,(H,19,20)/p-1/b9-4+/t10-,11-,13-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Lek Pharmaceuticals d.d. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli SHV1				J Med Chem 50: 4113-21 (2007) Article DOI: 10.1021/jm0703237 BindingDB Entry DOI: 10.7270/Q2FF3T5F
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50218938 (CHEMBL396753 | sodium (8S,9R)-10(E)-ethylidene-4(S...) Show SMILES C\C=C1/[C@H]2[C@H]3CCC[C@H](OC(C)C)C3=C(N2C1=O)C([O-])=O |c:14| Show InChI InChI=1S/C16H21NO4/c1-4-9-13-10-6-5-7-11(21-8(2)3)12(10)14(16(19)20)17(13)15(9)18/h4,8,10-11,13H,5-7H2,1-3H3,(H,19,20)/p-1/b9-4+/t10-,11-,13-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	341	n/a	n/a	n/a	n/a	n/a	n/a
Lek Pharmaceuticals d.d. Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae AmpC				J Med Chem 50: 4113-21 (2007) Article DOI: 10.1021/jm0703237 BindingDB Entry DOI: 10.7270/Q2FF3T5F
					More data for this Ligand-Target Pair
Beta-lactamase SHV-1 (Klebsiella pneumoniae (Enterobacteria))	BDBM50218937 (CHEMBL230226 | sodium (8S,9R)-10(E)-ethylidene-4(S...) Show SMILES CCO[C@H]1CCC[C@@H]2[C@H]3N(C(=O)\C3=C\C)C(C([O-])=O)=C12 |t:19| Show InChI InChI=1S/C15H19NO4/c1-3-8-12-9-6-5-7-10(20-4-2)11(9)13(15(18)19)16(12)14(8)17/h3,9-10,12H,4-7H2,1-2H3,(H,18,19)/p-1/b8-3+/t9-,10-,12-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	385	n/a	n/a	n/a	n/a	n/a	n/a
Lek Pharmaceuticals d.d. Curated by ChEMBL					Assay Description Inhibition of Escherichia coli SHV1				J Med Chem 50: 4113-21 (2007) Article DOI: 10.1021/jm0703237 BindingDB Entry DOI: 10.7270/Q2FF3T5F
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50218932 (CHEMBL396998 | sodium (8R,9R)-10(S)-[1(R)-hydroxye...) Show SMILES CCCCO[C@@H]1CCC[C@H]2[C@H]3N(C(=O)\C3=C\C)C(C([O-])=O)=C12 |t:21| Show InChI InChI=1S/C17H23NO4/c1-3-5-9-22-12-8-6-7-11-13(12)15(17(20)21)18-14(11)10(4-2)16(18)19/h4,11-12,14H,3,5-9H2,1-2H3,(H,20,21)/p-1/b10-4+/t11-,12-,14+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	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
Lek Pharmaceuticals d.d. Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae AmpC				J Med Chem 50: 4113-21 (2007) Article DOI: 10.1021/jm0703237 BindingDB Entry DOI: 10.7270/Q2FF3T5F
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50218939 (CHEMBL230332 | sodium (5S,8aS,8bR)-5-butoxy-1-eth-...) Show SMILES CCCCO[C@H]1CCC[C@@H]2[C@H]3N(C(=O)\C3=C\C)C(C([O-])=O)=C12 |t:21| Show InChI InChI=1S/C17H23NO4/c1-3-5-9-22-12-8-6-7-11-13(12)15(17(20)21)18-14(11)10(4-2)16(18)19/h4,11-12,14H,3,5-9H2,1-2H3,(H,20,21)/p-1/b10-4+/t11-,12-,14-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	720	n/a	n/a	n/a	n/a	n/a	n/a
Lek Pharmaceuticals d.d. Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae AmpC				J Med Chem 50: 4113-21 (2007) Article DOI: 10.1021/jm0703237 BindingDB Entry DOI: 10.7270/Q2FF3T5F
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50218934 (CHEMBL395017 | sodium (8S,9R)-10(E)-ethylidene-4(S...) Show SMILES C\C=C1/[C@H]2[C@H]3CCC[C@H](OCCF)C3=C(N2C1=O)C([O-])=O |c:14| Show InChI InChI=1S/C15H18FNO4/c1-2-8-12-9-4-3-5-10(21-7-6-16)11(9)13(15(19)20)17(12)14(8)18/h2,9-10,12H,3-7H2,1H3,(H,19,20)/p-1/b8-2+/t9-,10-,12-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lek Pharmaceuticals d.d. Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae AmpC				J Med Chem 50: 4113-21 (2007) Article DOI: 10.1021/jm0703237 BindingDB Entry DOI: 10.7270/Q2FF3T5F
					More data for this Ligand-Target Pair
Diacylglycerol acyltransferase/mycolyltransferase Ag85C (Mycobacterium tuberculosis)	BDBM50148588 (CHEMBL325304 | Heptyl-phosphonic acid monoethyl es...) Show SMILES CCCCCCCP(O)(=O)OCC Show InChI InChI=1S/C9H21O3P/c1-3-5-6-7-8-9-13(10,11)12-4-2/h3-9H2,1-2H3,(H,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro concentration required to inhibit antigen 85C mycolyltransferase activity in Mycobaterium tuberculosis				Bioorg Med Chem Lett 14: 3559-62 (2004) Article DOI: 10.1016/j.bmcl.2004.04.052 BindingDB Entry DOI: 10.7270/Q2C828RQ
					More data for this Ligand-Target Pair
Diacylglycerol acyltransferase/mycolyltransferase Ag85C (Mycobacterium tuberculosis)	BDBM50148588 (CHEMBL325304 | Heptyl-phosphonic acid monoethyl es...) Show SMILES CCCCCCCP(O)(=O)OCC Show InChI InChI=1S/C9H21O3P/c1-3-5-6-7-8-9-13(10,11)12-4-2/h3-9H2,1-2H3,(H,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL 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 Ljubljana Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant antigen 85C mycolyltransferase				Eur J Med Chem 42: 54-63 (2007) Article DOI: 10.1016/j.ejmech.2006.08.007 BindingDB Entry DOI: 10.7270/Q2F18ZB3
					More data for this Ligand-Target Pair
Diacylglycerol acyltransferase/mycolyltransferase Ag85C (Mycobacterium tuberculosis)	BDBM50148590 ((1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-methyl et...) Show SMILES CCCCCCCP(=O)(OCC)OCN1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C18H26NO5P/c1-3-5-6-7-10-13-25(22,23-4-2)24-14-19-17(20)15-11-8-9-12-16(15)18(19)21/h8-9,11-12H,3-7,10,13-14H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant antigen 85C mycolyltransferase				Eur J Med Chem 42: 54-63 (2007) Article DOI: 10.1016/j.ejmech.2006.08.007 BindingDB Entry DOI: 10.7270/Q2F18ZB3
					More data for this Ligand-Target Pair
Diacylglycerol acyltransferase/mycolyltransferase Ag85C (Mycobacterium tuberculosis)	BDBM50148590 ((1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-methyl et...) Show SMILES CCCCCCCP(=O)(OCC)OCN1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C18H26NO5P/c1-3-5-6-7-10-13-25(22,23-4-2)24-14-19-17(20)15-11-8-9-12-16(15)18(19)21/h8-9,11-12H,3-7,10,13-14H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro concentration required to inhibit antigen 85C mycolyltransferase activity in Mycobaterium tuberculosis				Bioorg Med Chem Lett 14: 3559-62 (2004) Article DOI: 10.1016/j.bmcl.2004.04.052 BindingDB Entry DOI: 10.7270/Q2C828RQ
					More data for this Ligand-Target Pair
Diacylglycerol acyltransferase/mycolyltransferase Ag85C (Mycobacterium tuberculosis)	BDBM50148587 (CHEMBL326268 | Heptyl-phosphonic acid mono-[2-(1,3...) Show SMILES CCCCCCCP(O)(=O)OCCN1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C17H24NO5P/c1-2-3-4-5-8-13-24(21,22)23-12-11-18-16(19)14-9-6-7-10-15(14)17(18)20/h6-7,9-10H,2-5,8,11-13H2,1H3,(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro concentration required to inhibit antigen 85C mycolyltransferase activity in Mycobaterium tuberculosis				Bioorg Med Chem Lett 14: 3559-62 (2004) Article DOI: 10.1016/j.bmcl.2004.04.052 BindingDB Entry DOI: 10.7270/Q2C828RQ
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50053173 ((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...) Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.81E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lek Pharmaceuticals d.d. Curated by ChEMBL					Assay Description Inhibition of Enterobacter cloacae AmpC				J Med Chem 50: 4113-21 (2007) Article DOI: 10.1021/jm0703237 BindingDB Entry DOI: 10.7270/Q2FF3T5F
					More data for this Ligand-Target Pair
Diacylglycerol acyltransferase/mycolyltransferase Ag85C (Mycobacterium tuberculosis)	BDBM50195746 (CHEMBL227546 | ethyl 3-phenoxybenzyl butylphosphon...) Show SMILES CCCCP(=O)(OCC)OCc1ccccc1Oc1ccccc1 Show InChI InChI=1S/C19H25O4P/c1-3-5-15-24(20,21-4-2)22-16-17-11-9-10-14-19(17)23-18-12-7-6-8-13-18/h6-14H,3-5,15-16H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL 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 Ljubljana Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant antigen 85C mycolyltransferase				Eur J Med Chem 42: 54-63 (2007) Article DOI: 10.1016/j.ejmech.2006.08.007 BindingDB Entry DOI: 10.7270/Q2F18ZB3
					More data for this Ligand-Target Pair
Diacylglycerol acyltransferase/mycolyltransferase Ag85C (Mycobacterium tuberculosis)	BDBM50148586 (Butyl-phosphonic acid ethyl ester 3-phenoxy-benzyl...) Show SMILES CCCCP(=O)(OCC)OCc1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C19H25O4P/c1-3-5-14-24(20,21-4-2)22-16-17-10-9-13-19(15-17)23-18-11-7-6-8-12-18/h6-13,15H,3-5,14,16H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro concentration required to inhibit antigen 85C mycolyltransferase activity in Mycobaterium tuberculosis				Bioorg Med Chem Lett 14: 3559-62 (2004) Article DOI: 10.1016/j.bmcl.2004.04.052 BindingDB Entry DOI: 10.7270/Q2C828RQ
					More data for this Ligand-Target Pair
Diacylglycerol acyltransferase/mycolyltransferase Ag85C (Mycobacterium tuberculosis)	BDBM50148593 (CHEMBL119521 | Hexyl-phosphonic acid monoethyl est...) Show SMILES CCCCCCP(O)(=O)OCC Show InChI InChI=1S/C8H19O3P/c1-3-5-6-7-8-12(9,10)11-4-2/h3-8H2,1-2H3,(H,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant antigen 85C mycolyltransferase				Eur J Med Chem 42: 54-63 (2007) Article DOI: 10.1016/j.ejmech.2006.08.007 BindingDB Entry DOI: 10.7270/Q2F18ZB3
					More data for this Ligand-Target Pair
Diacylglycerol acyltransferase/mycolyltransferase Ag85C (Mycobacterium tuberculosis)	BDBM50148593 (CHEMBL119521 | Hexyl-phosphonic acid monoethyl est...) Show SMILES CCCCCCP(O)(=O)OCC Show InChI InChI=1S/C8H19O3P/c1-3-5-6-7-8-12(9,10)11-4-2/h3-8H2,1-2H3,(H,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro concentration required to inhibit antigen 85C mycolyltransferase activity in Mycobaterium tuberculosis				Bioorg Med Chem Lett 14: 3559-62 (2004) Article DOI: 10.1016/j.bmcl.2004.04.052 BindingDB Entry DOI: 10.7270/Q2C828RQ
					More data for this Ligand-Target Pair
Diacylglycerol acyltransferase/mycolyltransferase Ag85C (Mycobacterium tuberculosis)	BDBM50148585 (CHEMBL418868 | Hexyl-phosphonic acid mono-[2-(1,3-...) Show SMILES CCCCCCP(O)(=O)OCCN1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C16H22NO5P/c1-2-3-4-7-12-23(20,21)22-11-10-17-15(18)13-8-5-6-9-14(13)16(17)19/h5-6,8-9H,2-4,7,10-12H2,1H3,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro concentration required to inhibit antigen 85C mycolyltransferase activity in Mycobaterium tuberculosis				Bioorg Med Chem Lett 14: 3559-62 (2004) Article DOI: 10.1016/j.bmcl.2004.04.052 BindingDB Entry DOI: 10.7270/Q2C828RQ
					More data for this Ligand-Target Pair
Diacylglycerol acyltransferase/mycolyltransferase Ag85C (Mycobacterium tuberculosis)	BDBM50148594 ((1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-methyl et...) Show SMILES CCCCP(=O)(OCC)OCN1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C15H20NO5P/c1-3-5-10-22(19,20-4-2)21-11-16-14(17)12-8-6-7-9-13(12)15(16)18/h6-9H,3-5,10-11H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro concentration required to inhibit antigen 85C mycolyltransferase activity in Mycobaterium tuberculosis				Bioorg Med Chem Lett 14: 3559-62 (2004) Article DOI: 10.1016/j.bmcl.2004.04.052 BindingDB Entry DOI: 10.7270/Q2C828RQ
					More data for this Ligand-Target Pair
Diacylglycerol acyltransferase/mycolyltransferase Ag85C (Mycobacterium tuberculosis)	BDBM50148594 ((1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-methyl et...) Show SMILES CCCCP(=O)(OCC)OCN1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C15H20NO5P/c1-3-5-10-22(19,20-4-2)21-11-16-14(17)12-8-6-7-9-13(12)15(16)18/h6-9H,3-5,10-11H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant antigen 85C mycolyltransferase				Eur J Med Chem 42: 54-63 (2007) Article DOI: 10.1016/j.ejmech.2006.08.007 BindingDB Entry DOI: 10.7270/Q2F18ZB3
					More data for this Ligand-Target Pair
Diacylglycerol acyltransferase/mycolyltransferase Ag85C (Mycobacterium tuberculosis)	BDBM50195743 (CHEMBL427453 | ethyl 3-phenoxybenzyl nonylphosphon...) Show SMILES CCCCCCCCCP(=O)(OCC)OCc1ccccc1Oc1ccccc1 Show InChI InChI=1S/C24H35O4P/c1-3-5-6-7-8-9-15-20-29(25,26-4-2)27-21-22-16-13-14-19-24(22)28-23-17-11-10-12-18-23/h10-14,16-19H,3-9,15,20-21H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.48E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant antigen 85C mycolyltransferase				Eur J Med Chem 42: 54-63 (2007) Article DOI: 10.1016/j.ejmech.2006.08.007 BindingDB Entry DOI: 10.7270/Q2F18ZB3
					More data for this Ligand-Target Pair
Diacylglycerol acyltransferase/mycolyltransferase Ag85C (Mycobacterium tuberculosis)	BDBM50148583 (CHEMBL325149 | Nonyl-phosphonic acid ethyl ester 3...) Show SMILES CCCCCCCCCP(=O)(OCC)OCc1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C24H35O4P/c1-3-5-6-7-8-9-13-19-29(25,26-4-2)27-21-22-15-14-18-24(20-22)28-23-16-11-10-12-17-23/h10-12,14-18,20H,3-9,13,19,21H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.48E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro concentration required to inhibit antigen 85C mycolyltransferase activity in Mycobaterium tuberculosis				Bioorg Med Chem Lett 14: 3559-62 (2004) Article DOI: 10.1016/j.bmcl.2004.04.052 BindingDB Entry DOI: 10.7270/Q2C828RQ
					More data for this Ligand-Target Pair
Diacylglycerol acyltransferase/mycolyltransferase Ag85C (Mycobacterium tuberculosis)	BDBM50195748 (CHEMBL227405 | ethyl 3-phenoxybenzyl heptylphospho...) Show SMILES CCCCCCCP(=O)(OCC)OCc1ccccc1Oc1ccccc1 Show InChI InChI=1S/C22H31O4P/c1-3-5-6-7-13-18-27(23,24-4-2)25-19-20-14-11-12-17-22(20)26-21-15-9-8-10-16-21/h8-12,14-17H,3-7,13,18-19H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant antigen 85C mycolyltransferase				Eur J Med Chem 42: 54-63 (2007) Article DOI: 10.1016/j.ejmech.2006.08.007 BindingDB Entry DOI: 10.7270/Q2F18ZB3
					More data for this Ligand-Target Pair
Diacylglycerol acyltransferase/mycolyltransferase Ag85C (Mycobacterium tuberculosis)	BDBM50148596 (CHEMBL278017 | Heptyl-phosphonic acid ethyl ester ...) Show SMILES CCCCCCCP(=O)(OCC)OCc1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C22H31O4P/c1-3-5-6-7-11-17-27(23,24-4-2)25-19-20-13-12-16-22(18-20)26-21-14-9-8-10-15-21/h8-10,12-16,18H,3-7,11,17,19H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro concentration required to inhibit antigen 85C mycolyltransferase activity in Mycobaterium tuberculosis				Bioorg Med Chem Lett 14: 3559-62 (2004) Article DOI: 10.1016/j.bmcl.2004.04.052 BindingDB Entry DOI: 10.7270/Q2C828RQ
					More data for this Ligand-Target Pair
Diacylglycerol acyltransferase/mycolyltransferase Ag85C (Mycobacterium tuberculosis)	BDBM50148582 (2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-ethylet...) Show SMILES CCCCCCCCCP(=O)(OCC)OCCN1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C21H32NO5P/c1-3-5-6-7-8-9-12-17-28(25,26-4-2)27-16-15-22-20(23)18-13-10-11-14-19(18)21(22)24/h10-11,13-14H,3-9,12,15-17H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.57E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro concentration required to inhibit antigen 85C mycolyltransferase activity in Mycobaterium tuberculosis				Bioorg Med Chem Lett 14: 3559-62 (2004) Article DOI: 10.1016/j.bmcl.2004.04.052 BindingDB Entry DOI: 10.7270/Q2C828RQ
					More data for this Ligand-Target Pair
Diacylglycerol acyltransferase/mycolyltransferase Ag85C (Mycobacterium tuberculosis)	BDBM50148582 (2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-ethylet...) Show SMILES CCCCCCCCCP(=O)(OCC)OCCN1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C21H32NO5P/c1-3-5-6-7-8-9-12-17-28(25,26-4-2)27-16-15-22-20(23)18-13-10-11-14-19(18)21(22)24/h10-11,13-14H,3-9,12,15-17H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.57E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant antigen 85C mycolyltransferase				Eur J Med Chem 42: 54-63 (2007) Article DOI: 10.1016/j.ejmech.2006.08.007 BindingDB Entry DOI: 10.7270/Q2F18ZB3
					More data for this Ligand-Target Pair
Diacylglycerol acyltransferase/mycolyltransferase Ag85C (Mycobacterium tuberculosis)	BDBM50148597 ((1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-methyleth...) Show SMILES CCCCCCCCCCCCCCP(=O)(OCC)OCN1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C25H40NO5P/c1-3-5-6-7-8-9-10-11-12-13-14-17-20-32(29,30-4-2)31-21-26-24(27)22-18-15-16-19-23(22)25(26)28/h15-16,18-19H,3-14,17,20-21H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro concentration required to inhibit antigen 85C mycolyltransferase activity in Mycobaterium tuberculosis				Bioorg Med Chem Lett 14: 3559-62 (2004) Article DOI: 10.1016/j.bmcl.2004.04.052 BindingDB Entry DOI: 10.7270/Q2C828RQ
					More data for this Ligand-Target Pair
Diacylglycerol acyltransferase/mycolyltransferase Ag85C (Mycobacterium tuberculosis)	BDBM50148597 ((1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-methyleth...) Show SMILES CCCCCCCCCCCCCCP(=O)(OCC)OCN1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C25H40NO5P/c1-3-5-6-7-8-9-10-11-12-13-14-17-20-32(29,30-4-2)31-21-26-24(27)22-18-15-16-19-23(22)25(26)28/h15-16,18-19H,3-14,17,20-21H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant antigen 85C mycolyltransferase				Eur J Med Chem 42: 54-63 (2007) Article DOI: 10.1016/j.ejmech.2006.08.007 BindingDB Entry DOI: 10.7270/Q2F18ZB3
					More data for this Ligand-Target Pair
Diacylglycerol acyltransferase/mycolyltransferase Ag85C (Mycobacterium tuberculosis)	BDBM50148584 (CHEMBL118790 | Hexyl-phosphonic acid ethyl ester 3...) Show SMILES CCCCCCP(=O)(OCC)OCc1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C21H29O4P/c1-3-5-6-10-16-26(22,23-4-2)24-18-19-12-11-15-21(17-19)25-20-13-8-7-9-14-20/h7-9,11-15,17H,3-6,10,16,18H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description In vitro concentration required to inhibit antigen 85C mycolyltransferase activity in Mycobaterium tuberculosis				Bioorg Med Chem Lett 14: 3559-62 (2004) Article DOI: 10.1016/j.bmcl.2004.04.052 BindingDB Entry DOI: 10.7270/Q2C828RQ
					More data for this Ligand-Target Pair

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