Compile Data Set for Download or QSAR

Found 50 hits with Last Name = 'kocjan' and Initial = 'd'   

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
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM50021359 (CHEMBL3288597) Show SMILES [O-][N+](=O)c1ccc2NC(=O)\C(=C3/SC(=S)N(NC(=O)c4cccnc4)C3=O)c2c1 Show InChI InChI=1S/C17H9N5O5S2/c23-14(8-2-1-5-18-7-8)20-21-16(25)13(29-17(21)28)12-10-6-9(22(26)27)3-4-11(10)19-15(12)24/h1-7H,(H,19,24)(H,20,23)/b13-12-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.15E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Slovenia National Institute of Chemistry Curated by ChEMBL					Assay Description Competitive inhibition of Escherichia coli MurD ligase activity using UDP-N-acetylmuramyl-L-alanine as a substrate				Eur J Med Chem 83: 92-101 (2014) Article DOI: 10.1016/j.ejmech.2014.06.021 BindingDB Entry DOI: 10.7270/Q25D8TDN
					More data for this Ligand-Target Pair
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
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
Beta-lactamase (Enterobacter cloacae)	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 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	1.36E+5	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
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM50021359 (CHEMBL3288597) Show SMILES [O-][N+](=O)c1ccc2NC(=O)\C(=C3/SC(=S)N(NC(=O)c4cccnc4)C3=O)c2c1 Show InChI InChI=1S/C17H9N5O5S2/c23-14(8-2-1-5-18-7-8)20-21-16(25)13(29-17(21)28)12-10-6-9(22(26)27)3-4-11(10)19-15(12)24/h1-7H,(H,19,24)(H,20,23)/b13-12-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	7.90E+4	n/a	n/a	n/a	n/a	n/a
Slovenia National Institute of Chemistry Curated by ChEMBL					Assay Description Binding affinity to 6x His-tagged and 15N/13C-labeled Escherichia coli MurD ligase measured at NMR signal 43 by 1H/13C-HSQC 2D NMR spectroscopy				Eur J Med Chem 83: 92-101 (2014) Article DOI: 10.1016/j.ejmech.2014.06.021 BindingDB Entry DOI: 10.7270/Q25D8TDN
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM26444 ((2R)-2-[(6-butoxynaphthalene-2-)sulfonamido]pentan...) Show SMILES CCCCOc1ccc2cc(ccc2c1)S(=O)(=O)N[C@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C19H23NO7S/c1-2-3-10-27-15-6-4-14-12-16(7-5-13(14)11-15)28(25,26)20-17(19(23)24)8-9-18(21)22/h4-7,11-12,17,20H,2-3,8-10H2,1H3,(H,21,22)(H,23,24)/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	2.10E+5	n/a	n/a	n/a	n/a	n/a
Slovenia National Institute of Chemistry Curated by ChEMBL					Assay Description Binding affinity to 6x His-tagged and 15N/13C-labeled Escherichia coli MurD ligase measured at NMR signal 4 by 1H/13C-HSQC 2D NMR spectroscopy				Eur J Med Chem 83: 92-101 (2014) Article DOI: 10.1016/j.ejmech.2014.06.021 BindingDB Entry DOI: 10.7270/Q25D8TDN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lanosterol 14-alpha demethylase (Homo sapiens (Human))	BDBM50375218 (CHEMBL557376) Show SMILES CCCN(CCc1ccc(F)c(F)c1)CC(O)c1cccnc1 Show InChI InChI=1S/C18H22F2N2O/c1-2-9-22(13-18(23)15-4-3-8-21-12-15)10-7-14-5-6-16(19)17(20)11-14/h3-6,8,11-12,18,23H,2,7,9-10,13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a
Lek Pharmaceuticals d. d. Curated by ChEMBL					Assay Description Binding affinity to human His-tagged CYP51 expressed in Escherichia coli				Bioorg Med Chem 16: 209-21 (2008) Article DOI: 10.1016/j.bmc.2007.10.001 BindingDB Entry DOI: 10.7270/Q2TQ62DS
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM50021359 (CHEMBL3288597) Show SMILES [O-][N+](=O)c1ccc2NC(=O)\C(=C3/SC(=S)N(NC(=O)c4cccnc4)C3=O)c2c1 Show InChI InChI=1S/C17H9N5O5S2/c23-14(8-2-1-5-18-7-8)20-21-16(25)13(29-17(21)28)12-10-6-9(22(26)27)3-4-11(10)19-15(12)24/h1-7H,(H,19,24)(H,20,23)/b13-12-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	9.80E+4	n/a	n/a	n/a	n/a	n/a
Slovenia National Institute of Chemistry Curated by ChEMBL					Assay Description Binding affinity to 6x His-tagged and 15N/13C-labeled Escherichia coli MurD ligase by 1H/13C-HSQC 2D NMR spectroscopy				Eur J Med Chem 83: 92-101 (2014) Article DOI: 10.1016/j.ejmech.2014.06.021 BindingDB Entry DOI: 10.7270/Q25D8TDN
					More data for this Ligand-Target Pair
Lanosterol 14-alpha demethylase (Homo sapiens (Human))	BDBM31768 (CHEMBL295698 | Ketoconazole | Nizoral | Panfungol) Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a
Lek Pharmaceuticals d. d. Curated by ChEMBL					Assay Description Binding affinity to human His-tagged CYP51 expressed in Escherichia coli				Bioorg Med Chem 16: 209-21 (2008) Article DOI: 10.1016/j.bmc.2007.10.001 BindingDB Entry DOI: 10.7270/Q2TQ62DS
					More data for this Ligand-Target Pair
Lanosterol 14-alpha demethylase (Homo sapiens (Human))	BDBM50375211 (CHEMBL535872) Show SMILES CCCN(CCc1ccc2ccccc2c1)CC(O)c1cccnc1 Show InChI InChI=1S/C22H26N2O/c1-2-13-24(17-22(25)21-8-5-12-23-16-21)14-11-18-9-10-19-6-3-4-7-20(19)15-18/h3-10,12,15-16,22,25H,2,11,13-14,17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a
Lek Pharmaceuticals d. d. Curated by ChEMBL					Assay Description Binding affinity to human His-tagged CYP51 expressed in Escherichia coli				Bioorg Med Chem 16: 209-21 (2008) Article DOI: 10.1016/j.bmc.2007.10.001 BindingDB Entry DOI: 10.7270/Q2TQ62DS
					More data for this Ligand-Target Pair
Lanosterol 14-alpha demethylase (Homo sapiens (Human))	BDBM50375212 (CHEMBL558189) Show SMILES CCCN(CCc1ccc(Cl)cc1)CC(O)c1ccncc1 Show InChI InChI=1S/C18H23ClN2O/c1-2-12-21(13-9-15-3-5-17(19)6-4-15)14-18(22)16-7-10-20-11-8-16/h3-8,10-11,18,22H,2,9,12-14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a
Lek Pharmaceuticals d. d. Curated by ChEMBL					Assay Description Binding affinity to human His-tagged CYP51 expressed in Escherichia coli				Bioorg Med Chem 16: 209-21 (2008) Article DOI: 10.1016/j.bmc.2007.10.001 BindingDB Entry DOI: 10.7270/Q2TQ62DS
					More data for this Ligand-Target Pair
Lanosterol 14-alpha demethylase (Homo sapiens (Human))	BDBM50375213 (CHEMBL537002) Show SMILES CCCN(CCc1ccc(Cl)c(Cl)c1)CC(O)c1cccnc1 Show InChI InChI=1S/C18H22Cl2N2O/c1-2-9-22(13-18(23)15-4-3-8-21-12-15)10-7-14-5-6-16(19)17(20)11-14/h3-6,8,11-12,18,23H,2,7,9-10,13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a
Lek Pharmaceuticals d. d. Curated by ChEMBL					Assay Description Binding affinity to human His-tagged CYP51 expressed in Escherichia coli				Bioorg Med Chem 16: 209-21 (2008) Article DOI: 10.1016/j.bmc.2007.10.001 BindingDB Entry DOI: 10.7270/Q2TQ62DS
					More data for this Ligand-Target Pair
Lanosterol 14-alpha demethylase (Homo sapiens (Human))	BDBM25817 (2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...) Show SMILES OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F Show InChI InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a
Lek Pharmaceuticals d. d. Curated by ChEMBL					Assay Description Binding affinity to human His-tagged CYP51 expressed in Escherichia coli				Bioorg Med Chem 16: 209-21 (2008) Article DOI: 10.1016/j.bmc.2007.10.001 BindingDB Entry DOI: 10.7270/Q2TQ62DS
					More data for this Ligand-Target Pair
Lanosterol 14-alpha demethylase (Homo sapiens (Human))	BDBM50375214 (CHEMBL536772) Show SMILES CCCN(CCc1cccnc1)CC(O)c1cccnc1 Show InChI InChI=1S/C17H23N3O/c1-2-10-20(11-7-15-5-3-8-18-12-15)14-17(21)16-6-4-9-19-13-16/h3-6,8-9,12-13,17,21H,2,7,10-11,14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.60E+5	n/a	n/a	n/a	n/a	n/a
Lek Pharmaceuticals d. d. Curated by ChEMBL					Assay Description Binding affinity to human His-tagged CYP51 expressed in Escherichia coli				Bioorg Med Chem 16: 209-21 (2008) Article DOI: 10.1016/j.bmc.2007.10.001 BindingDB Entry DOI: 10.7270/Q2TQ62DS
					More data for this Ligand-Target Pair
Lanosterol 14-alpha demethylase (Homo sapiens (Human))	BDBM50375215 (CHEMBL538591) Show SMILES CCCN(CCc1ccc(Cl)c(Cl)c1)CC(O)c1cc(C)ccn1 Show InChI InChI=1S/C19H24Cl2N2O/c1-3-9-23(10-7-15-4-5-16(20)17(21)12-15)13-19(24)18-11-14(2)6-8-22-18/h4-6,8,11-12,19,24H,3,7,9-10,13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a
Lek Pharmaceuticals d. d. Curated by ChEMBL					Assay Description Binding affinity to human His-tagged CYP51 expressed in Escherichia coli				Bioorg Med Chem 16: 209-21 (2008) Article DOI: 10.1016/j.bmc.2007.10.001 BindingDB Entry DOI: 10.7270/Q2TQ62DS
					More data for this Ligand-Target Pair
Lanosterol 14-alpha demethylase (Homo sapiens (Human))	BDBM50375216 (CHEMBL537231) Show SMILES CCCN(CCc1ccccc1Cl)CC(O)c1ccncc1 Show InChI InChI=1S/C18H23ClN2O/c1-2-12-21(13-9-15-5-3-4-6-17(15)19)14-18(22)16-7-10-20-11-8-16/h3-8,10-11,18,22H,2,9,12-14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a
Lek Pharmaceuticals d. d. Curated by ChEMBL					Assay Description Binding affinity to human His-tagged CYP51 expressed in Escherichia coli				Bioorg Med Chem 16: 209-21 (2008) Article DOI: 10.1016/j.bmc.2007.10.001 BindingDB Entry DOI: 10.7270/Q2TQ62DS
					More data for this Ligand-Target Pair
Lanosterol 14-alpha demethylase (Homo sapiens (Human))	BDBM50375217 (CHEMBL537003) Show SMILES CCCN(CCc1ccc(OC)c(OC)c1)CC(O)c1cccnc1 Show InChI InChI=1S/C20H28N2O3/c1-4-11-22(15-18(23)17-6-5-10-21-14-17)12-9-16-7-8-19(24-2)20(13-16)25-3/h5-8,10,13-14,18,23H,4,9,11-12,15H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.92E+4	n/a	n/a	n/a	n/a	n/a
Lek Pharmaceuticals d. d. Curated by ChEMBL					Assay Description Binding affinity to human His-tagged CYP51 expressed in Escherichia coli				Bioorg Med Chem 16: 209-21 (2008) Article DOI: 10.1016/j.bmc.2007.10.001 BindingDB Entry DOI: 10.7270/Q2TQ62DS
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM50021359 (CHEMBL3288597) Show SMILES [O-][N+](=O)c1ccc2NC(=O)\C(=C3/SC(=S)N(NC(=O)c4cccnc4)C3=O)c2c1 Show InChI InChI=1S/C17H9N5O5S2/c23-14(8-2-1-5-18-7-8)20-21-16(25)13(29-17(21)28)12-10-6-9(22(26)27)3-4-11(10)19-15(12)24/h1-7H,(H,19,24)(H,20,23)/b13-12-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.06E+5	n/a	n/a	n/a	n/a	n/a
Slovenia National Institute of Chemistry Curated by ChEMBL					Assay Description Binding affinity to 6x His-tagged and 15N/13C-labeled Escherichia coli MurD ligase measured at NMR signal 71 by 1H/13C-HSQC 2D NMR spectroscopy				Eur J Med Chem 83: 92-101 (2014) Article DOI: 10.1016/j.ejmech.2014.06.021 BindingDB Entry DOI: 10.7270/Q25D8TDN
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM26444 ((2R)-2-[(6-butoxynaphthalene-2-)sulfonamido]pentan...) Show SMILES CCCCOc1ccc2cc(ccc2c1)S(=O)(=O)N[C@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C19H23NO7S/c1-2-3-10-27-15-6-4-14-12-16(7-5-13(14)11-15)28(25,26)20-17(19(23)24)8-9-18(21)22/h4-7,11-12,17,20H,2-3,8-10H2,1H3,(H,21,22)(H,23,24)/t17-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	1.20E+5	n/a	n/a	n/a	n/a	n/a
Slovenia National Institute of Chemistry Curated by ChEMBL					Assay Description Binding affinity to 6x His-tagged and 15N/13C-labeled Escherichia coli MurD ligase measured at NMR signal 123 by 1H/13C-HSQC 2D NMR spectroscopy				Eur J Med Chem 83: 92-101 (2014) Article DOI: 10.1016/j.ejmech.2014.06.021 BindingDB Entry DOI: 10.7270/Q25D8TDN
					More data for this Ligand-Target Pair				3D Structure (crystal)
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM26455 ((2R)-2-({6-[(4-cyano-2-fluorophenyl)methoxy]naphth...) Show SMILES OC(=O)CC[C@@H](NS(=O)(=O)c1ccc2cc(OCc3ccc(cc3F)C#N)ccc2c1)C(O)=O |r| Show InChI InChI=1S/C23H19FN2O7S/c24-20-9-14(12-25)1-2-17(20)13-33-18-5-3-16-11-19(6-4-15(16)10-18)34(31,32)26-21(23(29)30)7-8-22(27)28/h1-6,9-11,21,26H,7-8,13H2,(H,27,28)(H,29,30)/t21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a
Slovenia National Institute of Chemistry Curated by ChEMBL					Assay Description Binding affinity to 6x His-tagged and 15N/13C-labeled Escherichia coli MurD ligase measured at NMR signal 9 by 1H/13C-HSQC 2D NMR spectroscopy				Eur J Med Chem 83: 92-101 (2014) Article DOI: 10.1016/j.ejmech.2014.06.021 BindingDB Entry DOI: 10.7270/Q25D8TDN
					More data for this Ligand-Target Pair				3D Structure (crystal)
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM26455 ((2R)-2-({6-[(4-cyano-2-fluorophenyl)methoxy]naphth...) Show SMILES OC(=O)CC[C@@H](NS(=O)(=O)c1ccc2cc(OCc3ccc(cc3F)C#N)ccc2c1)C(O)=O |r| Show InChI InChI=1S/C23H19FN2O7S/c24-20-9-14(12-25)1-2-17(20)13-33-18-5-3-16-11-19(6-4-15(16)10-18)34(31,32)26-21(23(29)30)7-8-22(27)28/h1-6,9-11,21,26H,7-8,13H2,(H,27,28)(H,29,30)/t21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a
Slovenia National Institute of Chemistry Curated by ChEMBL					Assay Description Binding affinity to 6x His-tagged and 15N/13C-labeled Escherichia coli MurD ligase measured at NMR signal 13 by 1H/13C-HSQC 2D NMR spectroscopy				Eur J Med Chem 83: 92-101 (2014) Article DOI: 10.1016/j.ejmech.2014.06.021 BindingDB Entry DOI: 10.7270/Q25D8TDN
					More data for this Ligand-Target Pair				3D Structure (crystal)
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM26455 ((2R)-2-({6-[(4-cyano-2-fluorophenyl)methoxy]naphth...) Show SMILES OC(=O)CC[C@@H](NS(=O)(=O)c1ccc2cc(OCc3ccc(cc3F)C#N)ccc2c1)C(O)=O |r| Show InChI InChI=1S/C23H19FN2O7S/c24-20-9-14(12-25)1-2-17(20)13-33-18-5-3-16-11-19(6-4-15(16)10-18)34(31,32)26-21(23(29)30)7-8-22(27)28/h1-6,9-11,21,26H,7-8,13H2,(H,27,28)(H,29,30)/t21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a
Slovenia National Institute of Chemistry Curated by ChEMBL					Assay Description Binding affinity to 6x His-tagged and 15N/13C-labeled Escherichia coli MurD ligase measured at NMR signal 56 by 1H/13C-HSQC 2D NMR spectroscopy				Eur J Med Chem 83: 92-101 (2014) Article DOI: 10.1016/j.ejmech.2014.06.021 BindingDB Entry DOI: 10.7270/Q25D8TDN
					More data for this Ligand-Target Pair				3D Structure (crystal)
UDP-N-acetylmuramoylalanine--D-glutamate ligase (Escherichia coli (strain K12))	BDBM50021359 (CHEMBL3288597) Show SMILES [O-][N+](=O)c1ccc2NC(=O)\C(=C3/SC(=S)N(NC(=O)c4cccnc4)C3=O)c2c1 Show InChI InChI=1S/C17H9N5O5S2/c23-14(8-2-1-5-18-7-8)20-21-16(25)13(29-17(21)28)12-10-6-9(22(26)27)3-4-11(10)19-15(12)24/h1-7H,(H,19,24)(H,20,23)/b13-12-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.11E+5	n/a	n/a	n/a	n/a	n/a
Slovenia National Institute of Chemistry Curated by ChEMBL					Assay Description Binding affinity to 6x His-tagged and 15N/13C-labeled Escherichia coli MurD ligase measured at NMR signal 4 by 1H/13C-HSQC 2D NMR spectroscopy				Eur J Med Chem 83: 92-101 (2014) Article DOI: 10.1016/j.ejmech.2014.06.021 BindingDB Entry DOI: 10.7270/Q25D8TDN
					More data for this Ligand-Target Pair