Compile Data Set for Download or QSAR

Found 57 hits with Last Name = 'mccall' and Initial = 'o'   

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
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM26707 (7-chloro-9-ethyl-6-hydroxy-1H,3H,4H,9H-quinolino[2...) Show SMILES CCn1c2noc(=O)c2c(O)c2cc(O)c(Cl)cc12 Show InChI InChI=1S/C12H9ClN2O4/c1-2-15-7-4-6(13)8(16)3-5(7)10(17)9-11(15)14-19-12(9)18/h3-4,16-17H,2H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.5	-48.6	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description Assays were conducted in 384-well v-bottom polypropylene plates. Test compound was mixed with Pim and biotinylated peptide substrate, followed by imm...				Bioorg Med Chem Lett 18: 5206-8 (2008) Article DOI: 10.1016/j.bmcl.2008.08.079 BindingDB Entry DOI: 10.7270/Q2833QBF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM26698 (7-chloro-6-fluoro-9-(propan-2-yl)-1H,3H,4H,9H-quin...) Show SMILES CC(C)n1c2noc(=O)c2c(O)c2cc(F)c(Cl)cc12 Show InChI InChI=1S/C13H10ClFN2O3/c1-5(2)17-9-4-7(14)8(15)3-6(9)11(18)10-12(17)16-20-13(10)19/h3-5,18H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	12.3	-44.7	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description Assays were conducted in 384-well v-bottom polypropylene plates. Test compound was mixed with Pim and biotinylated peptide substrate, followed by imm...				Bioorg Med Chem Lett 18: 5206-8 (2008) Article DOI: 10.1016/j.bmcl.2008.08.079 BindingDB Entry DOI: 10.7270/Q2833QBF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM26699 (9-butyl-7-chloro-6-fluoro-1H,3H,4H,9H-quinolino[2,...) Show SMILES CCCCn1c2noc(=O)c2c(O)c2cc(F)c(Cl)cc12 Show InChI InChI=1S/C14H12ClFN2O3/c1-2-3-4-18-10-6-8(15)9(16)5-7(10)12(19)11-13(18)17-21-14(11)20/h5-6,19H,2-4H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	15	-44.2	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description Assays were conducted in 384-well v-bottom polypropylene plates. Test compound was mixed with Pim and biotinylated peptide substrate, followed by imm...				Bioorg Med Chem Lett 18: 5206-8 (2008) Article DOI: 10.1016/j.bmcl.2008.08.079 BindingDB Entry DOI: 10.7270/Q2833QBF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM26697 (7-chloro-9-ethyl-6-fluoro-1H,3H,4H,9H-quinolino[2,...) Show SMILES CCn1c2noc(=O)c2c(O)c2cc(F)c(Cl)cc12 Show InChI InChI=1S/C12H8ClFN2O3/c1-2-16-8-4-6(13)7(14)3-5(8)10(17)9-11(16)15-19-12(9)18/h3-4,17H,2H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21.8	-43.3	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description Assays were conducted in 384-well v-bottom polypropylene plates. Test compound was mixed with Pim and biotinylated peptide substrate, followed by imm...				Bioorg Med Chem Lett 18: 5206-8 (2008) Article DOI: 10.1016/j.bmcl.2008.08.079 BindingDB Entry DOI: 10.7270/Q2833QBF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM26700 (9-benzyl-7-chloro-6-fluoro-1H,3H,4H,9H-quinolino[2...) Show SMILES Oc1c2c(noc2=O)n(Cc2ccccc2)c2cc(Cl)c(F)cc12 Show InChI InChI=1S/C17H10ClFN2O3/c18-11-7-13-10(6-12(11)19)15(22)14-16(20-24-17(14)23)21(13)8-9-4-2-1-3-5-9/h1-7,22H,8H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	36.5	-42.0	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description Assays were conducted in 384-well v-bottom polypropylene plates. Test compound was mixed with Pim and biotinylated peptide substrate, followed by imm...				Bioorg Med Chem Lett 18: 5206-8 (2008) Article DOI: 10.1016/j.bmcl.2008.08.079 BindingDB Entry DOI: 10.7270/Q2833QBF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-2 (Homo sapiens (Human))	BDBM26707 (7-chloro-9-ethyl-6-hydroxy-1H,3H,4H,9H-quinolino[2...) Show SMILES CCn1c2noc(=O)c2c(O)c2cc(O)c(Cl)cc12 Show InChI InChI=1S/C12H9ClN2O4/c1-2-15-7-4-6(13)8(16)3-5(7)10(17)9-11(15)14-19-12(9)18/h3-4,16-17H,2H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	43.5	-41.6	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description Assays were conducted in 384-well v-bottom polypropylene plates. Test compound was mixed with Pim and biotinylated peptide substrate, followed by imm...				Bioorg Med Chem Lett 18: 5206-8 (2008) Article DOI: 10.1016/j.bmcl.2008.08.079 BindingDB Entry DOI: 10.7270/Q2833QBF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM26701 (7-chloro-9-ethyl-6-fluoro-1-methyl-1H,3H,4H,9H-qui...) Show SMILES CCn1c2n(C)oc(=O)c2c(=O)c2cc(F)c(Cl)cc12 Show InChI InChI=1S/C13H10ClFN2O3/c1-3-17-9-5-7(14)8(15)4-6(9)11(18)10-12(17)16(2)20-13(10)19/h4-5H,3H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	50.1	-41.2	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description Assays were conducted in 384-well v-bottom polypropylene plates. Test compound was mixed with Pim and biotinylated peptide substrate, followed by imm...				Bioorg Med Chem Lett 18: 5206-8 (2008) Article DOI: 10.1016/j.bmcl.2008.08.079 BindingDB Entry DOI: 10.7270/Q2833QBF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-2 (Homo sapiens (Human))	BDBM26698 (7-chloro-6-fluoro-9-(propan-2-yl)-1H,3H,4H,9H-quin...) Show SMILES CC(C)n1c2noc(=O)c2c(O)c2cc(F)c(Cl)cc12 Show InChI InChI=1S/C13H10ClFN2O3/c1-5(2)17-9-4-7(14)8(15)3-6(9)11(18)10-12(17)16-20-13(10)19/h3-5,18H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	62.8	-40.7	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description Assays were conducted in 384-well v-bottom polypropylene plates. Test compound was mixed with Pim and biotinylated peptide substrate, followed by imm...				Bioorg Med Chem Lett 18: 5206-8 (2008) Article DOI: 10.1016/j.bmcl.2008.08.079 BindingDB Entry DOI: 10.7270/Q2833QBF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-2 (Homo sapiens (Human))	BDBM26699 (9-butyl-7-chloro-6-fluoro-1H,3H,4H,9H-quinolino[2,...) Show SMILES CCCCn1c2noc(=O)c2c(O)c2cc(F)c(Cl)cc12 Show InChI InChI=1S/C14H12ClFN2O3/c1-2-3-4-18-10-6-8(15)9(16)5-7(10)12(19)11-13(18)17-21-14(11)20/h5-6,19H,2-4H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	165	-38.3	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description Assays were conducted in 384-well v-bottom polypropylene plates. Test compound was mixed with Pim and biotinylated peptide substrate, followed by imm...				Bioorg Med Chem Lett 18: 5206-8 (2008) Article DOI: 10.1016/j.bmcl.2008.08.079 BindingDB Entry DOI: 10.7270/Q2833QBF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-2 (Homo sapiens (Human))	BDBM26697 (7-chloro-9-ethyl-6-fluoro-1H,3H,4H,9H-quinolino[2,...) Show SMILES CCn1c2noc(=O)c2c(O)c2cc(F)c(Cl)cc12 Show InChI InChI=1S/C12H8ClFN2O3/c1-2-16-8-4-6(13)7(14)3-5(8)10(17)9-11(16)15-19-12(9)18/h3-4,17H,2H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	174	-38.2	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description Assays were conducted in 384-well v-bottom polypropylene plates. Test compound was mixed with Pim and biotinylated peptide substrate, followed by imm...				Bioorg Med Chem Lett 18: 5206-8 (2008) Article DOI: 10.1016/j.bmcl.2008.08.079 BindingDB Entry DOI: 10.7270/Q2833QBF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM26703 (7-chloro-9-ethyl-6-fluoro-1-[(3-hydroxyphenyl)meth...) Show SMILES CCn1c2n(Cc3cccc(O)c3)oc(=O)c2c(=O)c2cc(F)c(Cl)cc12 Show InChI InChI=1S/C19H14ClFN2O4/c1-2-22-15-8-13(20)14(21)7-12(15)17(25)16-18(22)23(27-19(16)26)9-10-4-3-5-11(24)6-10/h3-8,24H,2,9H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	271	-37.1	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description Assays were conducted in 384-well v-bottom polypropylene plates. Test compound was mixed with Pim and biotinylated peptide substrate, followed by imm...				Bioorg Med Chem Lett 18: 5206-8 (2008) Article DOI: 10.1016/j.bmcl.2008.08.079 BindingDB Entry DOI: 10.7270/Q2833QBF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-2 (Homo sapiens (Human))	BDBM26700 (9-benzyl-7-chloro-6-fluoro-1H,3H,4H,9H-quinolino[2...) Show SMILES Oc1c2c(noc2=O)n(Cc2ccccc2)c2cc(Cl)c(F)cc12 Show InChI InChI=1S/C17H10ClFN2O3/c18-11-7-13-10(6-12(11)19)15(22)14-16(20-24-17(14)23)21(13)8-9-4-2-1-3-5-9/h1-7,22H,8H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	558	-35.3	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description Assays were conducted in 384-well v-bottom polypropylene plates. Test compound was mixed with Pim and biotinylated peptide substrate, followed by imm...				Bioorg Med Chem Lett 18: 5206-8 (2008) Article DOI: 10.1016/j.bmcl.2008.08.079 BindingDB Entry DOI: 10.7270/Q2833QBF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM26705 (7-chloro-9-ethyl-6-fluoro-1-(2-hydroxyethyl)-1H,3H...) Show SMILES CCn1c2n(CCO)oc(=O)c2c(=O)c2cc(F)c(Cl)cc12 Show InChI InChI=1S/C14H12ClFN2O4/c1-2-17-10-6-8(15)9(16)5-7(10)12(20)11-13(17)18(3-4-19)22-14(11)21/h5-6,19H,2-4H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.16E+3	-33.5	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description Assays were conducted in 384-well v-bottom polypropylene plates. Test compound was mixed with Pim and biotinylated peptide substrate, followed by imm...				Bioorg Med Chem Lett 18: 5206-8 (2008) Article DOI: 10.1016/j.bmcl.2008.08.079 BindingDB Entry DOI: 10.7270/Q2833QBF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM26702 (1-benzyl-7-chloro-9-ethyl-6-fluoro-1H,3H,4H,9H-qui...) Show SMILES CCn1c2n(Cc3ccccc3)oc(=O)c2c(=O)c2cc(F)c(Cl)cc12 Show InChI InChI=1S/C19H14ClFN2O3/c1-2-22-15-9-13(20)14(21)8-12(15)17(24)16-18(22)23(26-19(16)25)10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.27E+3	-33.3	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description Assays were conducted in 384-well v-bottom polypropylene plates. Test compound was mixed with Pim and biotinylated peptide substrate, followed by imm...				Bioorg Med Chem Lett 18: 5206-8 (2008) Article DOI: 10.1016/j.bmcl.2008.08.079 BindingDB Entry DOI: 10.7270/Q2833QBF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-2 (Homo sapiens (Human))	BDBM26704 (1-[2-(benzyloxy)ethyl]-7-chloro-9-ethyl-6-fluoro-1...) Show SMILES CCn1c2n(CCOCc3ccccc3)oc(=O)c2c(=O)c2cc(F)c(Cl)cc12 Show InChI InChI=1S/C21H18ClFN2O4/c1-2-24-17-11-15(22)16(23)10-14(17)19(26)18-20(24)25(29-21(18)27)8-9-28-12-13-6-4-3-5-7-13/h3-7,10-11H,2,8-9,12H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.42E+3	>-33.0	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description Assays were conducted in 384-well v-bottom polypropylene plates. Test compound was mixed with Pim and biotinylated peptide substrate, followed by imm...				Bioorg Med Chem Lett 18: 5206-8 (2008) Article DOI: 10.1016/j.bmcl.2008.08.079 BindingDB Entry DOI: 10.7270/Q2833QBF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-2 (Homo sapiens (Human))	BDBM26706 (7-chloro-9-ethyl-6-methoxy-1H,3H,4H,9H-quinolino[2...) Show SMILES CCn1c2noc(=O)c2c(O)c2cc(OC)c(Cl)cc12 Show InChI InChI=1S/C13H11ClN2O4/c1-3-16-8-5-7(14)9(19-2)4-6(8)11(17)10-12(16)15-20-13(10)18/h4-5,17H,3H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.42E+3	>-33.0	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description Assays were conducted in 384-well v-bottom polypropylene plates. Test compound was mixed with Pim and biotinylated peptide substrate, followed by imm...				Bioorg Med Chem Lett 18: 5206-8 (2008) Article DOI: 10.1016/j.bmcl.2008.08.079 BindingDB Entry DOI: 10.7270/Q2833QBF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-2 (Homo sapiens (Human))	BDBM26705 (7-chloro-9-ethyl-6-fluoro-1-(2-hydroxyethyl)-1H,3H...) Show SMILES CCn1c2n(CCO)oc(=O)c2c(=O)c2cc(F)c(Cl)cc12 Show InChI InChI=1S/C14H12ClFN2O4/c1-2-17-10-6-8(15)9(16)5-7(10)12(20)11-13(17)18(3-4-19)22-14(11)21/h5-6,19H,2-4H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.42E+3	>-33.0	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description Assays were conducted in 384-well v-bottom polypropylene plates. Test compound was mixed with Pim and biotinylated peptide substrate, followed by imm...				Bioorg Med Chem Lett 18: 5206-8 (2008) Article DOI: 10.1016/j.bmcl.2008.08.079 BindingDB Entry DOI: 10.7270/Q2833QBF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-2 (Homo sapiens (Human))	BDBM26703 (7-chloro-9-ethyl-6-fluoro-1-[(3-hydroxyphenyl)meth...) Show SMILES CCn1c2n(Cc3cccc(O)c3)oc(=O)c2c(=O)c2cc(F)c(Cl)cc12 Show InChI InChI=1S/C19H14ClFN2O4/c1-2-22-15-8-13(20)14(21)7-12(15)17(25)16-18(22)23(27-19(16)26)9-10-4-3-5-11(24)6-10/h3-8,24H,2,9H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.42E+3	>-33.0	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description Assays were conducted in 384-well v-bottom polypropylene plates. Test compound was mixed with Pim and biotinylated peptide substrate, followed by imm...				Bioorg Med Chem Lett 18: 5206-8 (2008) Article DOI: 10.1016/j.bmcl.2008.08.079 BindingDB Entry DOI: 10.7270/Q2833QBF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-2 (Homo sapiens (Human))	BDBM26702 (1-benzyl-7-chloro-9-ethyl-6-fluoro-1H,3H,4H,9H-qui...) Show SMILES CCn1c2n(Cc3ccccc3)oc(=O)c2c(=O)c2cc(F)c(Cl)cc12 Show InChI InChI=1S/C19H14ClFN2O3/c1-2-22-15-9-13(20)14(21)8-12(15)17(24)16-18(22)23(26-19(16)25)10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.42E+3	>-33.0	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description Assays were conducted in 384-well v-bottom polypropylene plates. Test compound was mixed with Pim and biotinylated peptide substrate, followed by imm...				Bioorg Med Chem Lett 18: 5206-8 (2008) Article DOI: 10.1016/j.bmcl.2008.08.079 BindingDB Entry DOI: 10.7270/Q2833QBF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-2 (Homo sapiens (Human))	BDBM26701 (7-chloro-9-ethyl-6-fluoro-1-methyl-1H,3H,4H,9H-qui...) Show SMILES CCn1c2n(C)oc(=O)c2c(=O)c2cc(F)c(Cl)cc12 Show InChI InChI=1S/C13H10ClFN2O3/c1-3-17-9-5-7(14)8(15)4-6(9)11(18)10-12(17)16(2)20-13(10)19/h4-5H,3H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.42E+3	>-33.0	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description Assays were conducted in 384-well v-bottom polypropylene plates. Test compound was mixed with Pim and biotinylated peptide substrate, followed by imm...				Bioorg Med Chem Lett 18: 5206-8 (2008) Article DOI: 10.1016/j.bmcl.2008.08.079 BindingDB Entry DOI: 10.7270/Q2833QBF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM26706 (7-chloro-9-ethyl-6-methoxy-1H,3H,4H,9H-quinolino[2...) Show SMILES CCn1c2noc(=O)c2c(O)c2cc(OC)c(Cl)cc12 Show InChI InChI=1S/C13H11ClN2O4/c1-3-16-8-5-7(14)9(19-2)4-6(8)11(17)10-12(16)15-20-13(10)18/h4-5,17H,3H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.70E+3	-31.5	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description Assays were conducted in 384-well v-bottom polypropylene plates. Test compound was mixed with Pim and biotinylated peptide substrate, followed by imm...				Bioorg Med Chem Lett 18: 5206-8 (2008) Article DOI: 10.1016/j.bmcl.2008.08.079 BindingDB Entry DOI: 10.7270/Q2833QBF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM26704 (1-[2-(benzyloxy)ethyl]-7-chloro-9-ethyl-6-fluoro-1...) Show SMILES CCn1c2n(CCOCc3ccccc3)oc(=O)c2c(=O)c2cc(F)c(Cl)cc12 Show InChI InChI=1S/C21H18ClFN2O4/c1-2-24-17-11-15(22)16(23)10-14(17)19(26)18-20(24)25(29-21(18)27)8-9-28-12-13-6-4-3-5-7-13/h3-7,10-11H,2,8-9,12H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.89E+3	-30.0	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description Assays were conducted in 384-well v-bottom polypropylene plates. Test compound was mixed with Pim and biotinylated peptide substrate, followed by imm...				Bioorg Med Chem Lett 18: 5206-8 (2008) Article DOI: 10.1016/j.bmcl.2008.08.079 BindingDB Entry DOI: 10.7270/Q2833QBF
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (Streptococcus pneumoniae (Firmicutes))	BDBM50137758 (2,4-Dichloro-N-[3-cyano-6-(4-hydroxy-phenyl)-4,5,6...) Show SMILES Oc1ccc(cc1)C1CCc2c(C1)sc(NC(=O)c1cc(c(Cl)cc1Cl)S(=O)(=O)N1CCOCC1)c2C#N Show InChI InChI=1S/C26H23Cl2N3O5S2/c27-21-13-22(28)24(38(34,35)31-7-9-36-10-8-31)12-19(21)25(33)30-26-20(14-29)18-6-3-16(11-23(18)37-26)15-1-4-17(32)5-2-15/h1-2,4-5,12-13,16,32H,3,6-11H2,(H,30,33)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Antibacterial activity against UDP-MurNAc-pentapeptide synthetase from Streptococcus pneumoniae.				Bioorg Med Chem Lett 14: 267-70 (2003) BindingDB Entry DOI: 10.7270/Q2R49Q55
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (Streptococcus pneumoniae (Firmicutes))	BDBM50137762 (2-Chloro-N-[3-cyano-6-(4-hydroxy-phenyl)-4,5,6,7-t...) Show SMILES CCN(CC)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc1sc2CC(CCc2c1C#N)c1ccc(O)cc1 Show InChI InChI=1S/C26H26ClN3O4S2/c1-3-30(4-2)36(33,34)19-10-12-23(27)21(14-19)25(32)29-26-22(15-28)20-11-7-17(13-24(20)35-26)16-5-8-18(31)9-6-16/h5-6,8-10,12,14,17,31H,3-4,7,11,13H2,1-2H3,(H,29,32)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Antibacterial activity against UDP-MurNAc-pentapeptide synthetase from Streptococcus pneumoniae.				Bioorg Med Chem Lett 14: 267-70 (2003) BindingDB Entry DOI: 10.7270/Q2R49Q55
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (Streptococcus pneumoniae (Firmicutes))	BDBM50137786 (2,4-Dichloro-N-[3-cyano-6-(4-hydroxy-phenyl)-4,5,6...) Show SMILES CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2sc3CC(CCc3c2C#N)c2ccc(O)cc2)c(Cl)cc1Cl Show InChI InChI=1S/C26H25Cl2N3O4S2/c1-3-31(4-2)37(34,35)24-12-19(21(27)13-22(24)28)25(33)30-26-20(14-29)18-10-7-16(11-23(18)36-26)15-5-8-17(32)9-6-15/h5-6,8-9,12-13,16,32H,3-4,7,10-11H2,1-2H3,(H,30,33)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Antibacterial activity against UDP-MurNAc-pentapeptide synthetase from Streptococcus pneumoniae.				Bioorg Med Chem Lett 14: 267-70 (2003) BindingDB Entry DOI: 10.7270/Q2R49Q55
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (Streptococcus pneumoniae (Firmicutes))	BDBM50137768 (2,4-Dichloro-N-(3-cyano-6-phenyl-4,5,6,7-tetrahydr...) Show SMILES Clc1cc(Cl)c(cc1C(=O)Nc1sc2CC(CCc2c1C#N)c1ccccc1)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C26H23Cl2N3O4S2/c27-21-14-22(28)24(37(33,34)31-8-10-35-11-9-31)13-19(21)25(32)30-26-20(15-29)18-7-6-17(12-23(18)36-26)16-4-2-1-3-5-16/h1-5,13-14,17H,6-12H2,(H,30,32)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Antibacterial activity against UDP-MurNAc-pentapeptide synthetase from Streptococcus pneumoniae.				Bioorg Med Chem Lett 14: 267-70 (2003) BindingDB Entry DOI: 10.7270/Q2R49Q55
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (Streptococcus pneumoniae (Firmicutes))	BDBM50137760 (2,4-dichloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[...) Show SMILES Clc1cc(Cl)c(cc1C(=O)Nc1sc2CCCc2c1C#N)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C19H17Cl2N3O4S2/c20-14-9-15(21)17(30(26,27)24-4-6-28-7-5-24)8-12(14)18(25)23-19-13(10-22)11-2-1-3-16(11)29-19/h8-9H,1-7H2,(H,23,25)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Antibacterial activity against UDP-MurNAc-pentapeptide synthetase from Streptococcus pneumoniae.				Bioorg Med Chem Lett 14: 267-70 (2003) BindingDB Entry DOI: 10.7270/Q2R49Q55
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (Streptococcus pneumoniae (Firmicutes))	BDBM50137775 (2,4-DICHLORO-N-(3-CYANO-4,5,6,7-TETRAHYDRO-BENZOTH...) Show SMILES Clc1cc(Cl)c(cc1C(=O)Nc1sc2CCCCc2c1C#N)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C20H19Cl2N3O4S2/c21-15-10-16(22)18(31(27,28)25-5-7-29-8-6-25)9-13(15)19(26)24-20-14(11-23)12-3-1-2-4-17(12)30-20/h9-10H,1-8H2,(H,24,26)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Antibacterial activity against UDP-MurNAc-pentapeptide synthetase from Streptococcus pneumoniae.				Bioorg Med Chem Lett 14: 267-70 (2003) BindingDB Entry DOI: 10.7270/Q2R49Q55
					More data for this Ligand-Target Pair				3D Structure (crystal)
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (Streptococcus pneumoniae (Firmicutes))	BDBM50137759 (2-chloro-N-(3-cyano-4,5,6,7-tetrahydro-benzo[b]thi...) Show SMILES CCN(CC)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc1sc2CCCCc2c1C#N Show InChI InChI=1S/C20H22ClN3O3S2/c1-3-24(4-2)29(26,27)13-9-10-17(21)15(11-13)19(25)23-20-16(12-22)14-7-5-6-8-18(14)28-20/h9-11H,3-8H2,1-2H3,(H,23,25)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Antibacterial activity against UDP-MurNAc-pentapeptide synthetase from Streptococcus pneumoniae.				Bioorg Med Chem Lett 14: 267-70 (2003) BindingDB Entry DOI: 10.7270/Q2R49Q55
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (Streptococcus pneumoniae (Firmicutes))	BDBM50137752 (2-Chloro-N-(3-cyano-4,5,6,7-tetrahydro-benzo[b]thi...) Show SMILES Clc1ccc(cc1C(=O)Nc1sc2CCCCc2c1C#N)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C20H20ClN3O4S2/c21-17-6-5-13(30(26,27)24-7-9-28-10-8-24)11-15(17)19(25)23-20-16(12-22)14-3-1-2-4-18(14)29-20/h5-6,11H,1-4,7-10H2,(H,23,25)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Antibacterial activity against UDP-MurNAc-pentapeptide synthetase from Streptococcus pneumoniae.				Bioorg Med Chem Lett 14: 267-70 (2003) BindingDB Entry DOI: 10.7270/Q2R49Q55
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (Streptococcus pneumoniae (Firmicutes))	BDBM50137761 (2-chloro-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohep...) Show SMILES CCN(CC)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc1sc2CCCCCc2c1C#N Show InChI InChI=1S/C21H24ClN3O3S2/c1-3-25(4-2)30(27,28)14-10-11-18(22)16(12-14)20(26)24-21-17(13-23)15-8-6-5-7-9-19(15)29-21/h10-12H,3-9H2,1-2H3,(H,24,26)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Antibacterial activity against UDP-MurNAc-pentapeptide synthetase from Streptococcus pneumoniae.				Bioorg Med Chem Lett 14: 267-70 (2003) BindingDB Entry DOI: 10.7270/Q2R49Q55
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (Streptococcus pneumoniae (Firmicutes))	BDBM50137756 (2-Bromo-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thi...) Show SMILES Brc1ccc(cc1C(=O)Nc1sc2CCCc2c1C#N)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C19H18BrN3O4S2/c20-16-5-4-12(29(25,26)23-6-8-27-9-7-23)10-14(16)18(24)22-19-15(11-21)13-2-1-3-17(13)28-19/h4-5,10H,1-3,6-9H2,(H,22,24)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Antibacterial activity against UDP-MurNAc-pentapeptide synthetase from Streptococcus pneumoniae.				Bioorg Med Chem Lett 14: 267-70 (2003) BindingDB Entry DOI: 10.7270/Q2R49Q55
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (Streptococcus pneumoniae (Firmicutes))	BDBM50137783 (2-Chloro-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohep...) Show SMILES Clc1ccc(cc1C(=O)Nc1sc2CCCCCc2c1C#N)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C21H22ClN3O4S2/c22-18-7-6-14(31(27,28)25-8-10-29-11-9-25)12-16(18)20(26)24-21-17(13-23)15-4-2-1-3-5-19(15)30-21/h6-7,12H,1-5,8-11H2,(H,24,26)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Antibacterial activity against UDP-MurNAc-pentapeptide synthetase from Streptococcus pneumoniae.				Bioorg Med Chem Lett 14: 267-70 (2003) BindingDB Entry DOI: 10.7270/Q2R49Q55
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (Streptococcus pneumoniae (Firmicutes))	BDBM50137780 (2,4-dichloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[...) Show SMILES CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2sc3CCCc3c2C#N)c(Cl)cc1Cl Show InChI InChI=1S/C19H19Cl2N3O3S2/c1-3-24(4-2)29(26,27)17-8-12(14(20)9-15(17)21)18(25)23-19-13(10-22)11-6-5-7-16(11)28-19/h8-9H,3-7H2,1-2H3,(H,23,25)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Antibacterial activity against UDP-MurNAc-pentapeptide synthetase from Streptococcus pneumoniae.				Bioorg Med Chem Lett 14: 267-70 (2003) BindingDB Entry DOI: 10.7270/Q2R49Q55
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (Streptococcus pneumoniae (Firmicutes))	BDBM50137769 (2-(2-Chloro-5-diethylsulfamoyl-benzoylamino)-3-cya...) Show SMILES CCOC(=O)C1CCc2c(C1)sc(NC(=O)c1cc(ccc1Cl)S(=O)(=O)N(CC)CC)c2C#N Show InChI InChI=1S/C23H26ClN3O5S2/c1-4-27(5-2)34(30,31)15-8-10-19(24)17(12-15)21(28)26-22-18(13-25)16-9-7-14(11-20(16)33-22)23(29)32-6-3/h8,10,12,14H,4-7,9,11H2,1-3H3,(H,26,28)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Antibacterial activity against UDP-MurNAc-pentapeptide synthetase from Streptococcus pneumoniae.				Bioorg Med Chem Lett 14: 267-70 (2003) BindingDB Entry DOI: 10.7270/Q2R49Q55
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (Streptococcus pneumoniae (Firmicutes))	BDBM50137779 (2-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]th...) Show SMILES Fc1cc(Cl)c(cc1S(=O)(=O)N1CCOCC1)C(=O)Nc1sc2CCCc2c1C#N Show InChI InChI=1S/C19H17ClFN3O4S2/c20-14-9-15(21)17(30(26,27)24-4-6-28-7-5-24)8-12(14)18(25)23-19-13(10-22)11-2-1-3-16(11)29-19/h8-9H,1-7H2,(H,23,25)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Antibacterial activity against UDP-MurNAc-pentapeptide synthetase from Streptococcus pneumoniae.				Bioorg Med Chem Lett 14: 267-70 (2003) BindingDB Entry DOI: 10.7270/Q2R49Q55
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (Streptococcus pneumoniae (Firmicutes))	BDBM50137781 (2-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]th...) Show SMILES OCCCNS(=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc1sc2CCCc2c1C#N Show InChI InChI=1S/C18H18ClN3O4S2/c19-15-6-5-11(28(25,26)21-7-2-8-23)9-13(15)17(24)22-18-14(10-20)12-3-1-4-16(12)27-18/h5-6,9,21,23H,1-4,7-8H2,(H,22,24)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Antibacterial activity against UDP-MurNAc-pentapeptide synthetase from Streptococcus pneumoniae.				Bioorg Med Chem Lett 14: 267-70 (2003) BindingDB Entry DOI: 10.7270/Q2R49Q55
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (Streptococcus pneumoniae (Firmicutes))	BDBM50137778 (2-Chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]th...) Show SMILES CCN(CC)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc1sc2CCCc2c1C#N Show InChI InChI=1S/C19H20ClN3O3S2/c1-3-23(4-2)28(25,26)12-8-9-16(20)14(10-12)18(24)22-19-15(11-21)13-6-5-7-17(13)27-19/h8-10H,3-7H2,1-2H3,(H,22,24)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Antibacterial activity against UDP-MurNAc-pentapeptide synthetase from Streptococcus pneumoniae.				Bioorg Med Chem Lett 14: 267-70 (2003) BindingDB Entry DOI: 10.7270/Q2R49Q55
					More data for this Ligand-Target Pair				3D Structure (crystal)
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (Streptococcus pneumoniae (Firmicutes))	BDBM50137757 (2-Chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]th...) Show SMILES Clc1ccc(cc1C(=O)Nc1sc2CCCc2c1C#N)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C19H18ClN3O4S2/c20-16-5-4-12(29(25,26)23-6-8-27-9-7-23)10-14(16)18(24)22-19-15(11-21)13-2-1-3-17(13)28-19/h4-5,10H,1-3,6-9H2,(H,22,24)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Antibacterial activity against UDP-MurNAc-pentapeptide synthetase from Streptococcus pneumoniae.				Bioorg Med Chem Lett 14: 267-70 (2003) BindingDB Entry DOI: 10.7270/Q2R49Q55
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (Streptococcus pneumoniae (Firmicutes))	BDBM50137766 (2-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]th...) Show SMILES CNS(=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc1sc2CCCc2c1C#N Show InChI InChI=1S/C16H14ClN3O3S2/c1-19-25(22,23)9-5-6-13(17)11(7-9)15(21)20-16-12(8-18)10-3-2-4-14(10)24-16/h5-7,19H,2-4H2,1H3,(H,20,21)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Antibacterial activity against UDP-MurNAc-pentapeptide synthetase from Streptococcus pneumoniae.				Bioorg Med Chem Lett 14: 267-70 (2003) BindingDB Entry DOI: 10.7270/Q2R49Q55
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (Streptococcus pneumoniae (Firmicutes))	BDBM50137770 (2-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]th...) Show SMILES Clc1ccc(cc1C(=O)Nc1sc2CCCc2c1C#N)S(=O)(=O)Nc1ccccc1 Show InChI InChI=1S/C21H16ClN3O3S2/c22-18-10-9-14(30(27,28)25-13-5-2-1-3-6-13)11-16(18)20(26)24-21-17(12-23)15-7-4-8-19(15)29-21/h1-3,5-6,9-11,25H,4,7-8H2,(H,24,26)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Antibacterial activity against UDP-MurNAc-pentapeptide synthetase from Streptococcus pneumoniae.				Bioorg Med Chem Lett 14: 267-70 (2003) BindingDB Entry DOI: 10.7270/Q2R49Q55
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (Streptococcus pneumoniae (Firmicutes))	BDBM50137767 (2-Chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]th...) Show SMILES CNc1cc(Cl)c(cc1S(=O)(=O)N1CCOCC1)C(=O)Nc1sc2CCCc2c1C#N Show InChI InChI=1S/C20H21ClN4O4S2/c1-23-16-10-15(21)13(9-18(16)31(27,28)25-5-7-29-8-6-25)19(26)24-20-14(11-22)12-3-2-4-17(12)30-20/h9-10,23H,2-8H2,1H3,(H,24,26)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Antibacterial activity against UDP-MurNAc-pentapeptide synthetase from Streptococcus pneumoniae.				Bioorg Med Chem Lett 14: 267-70 (2003) BindingDB Entry DOI: 10.7270/Q2R49Q55
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (Streptococcus pneumoniae (Firmicutes))	BDBM50137782 (2-(2-chloro-5-diethylsulfamoyl-benzoylamino)-5,6-d...) Show SMILES CCN(CC)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc1sc2CCCc2c1C(N)=O Show InChI InChI=1S/C19H22ClN3O4S2/c1-3-23(4-2)29(26,27)11-8-9-14(20)13(10-11)18(25)22-19-16(17(21)24)12-6-5-7-15(12)28-19/h8-10H,3-7H2,1-2H3,(H2,21,24)(H,22,25)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Antibacterial activity against UDP-MurNAc-pentapeptide synthetase from Streptococcus pneumoniae.				Bioorg Med Chem Lett 14: 267-70 (2003) BindingDB Entry DOI: 10.7270/Q2R49Q55
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (Streptococcus pneumoniae (Firmicutes))	BDBM50137764 (CHEMBL431263 | N-(3-cyano-5,6-dihydro-4H-cyclopent...) Show SMILES CN(C)CCCNc1ccc(cc1C(=O)Nc1sc2CCCc2c1C#N)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C24H31N5O4S2/c1-28(2)10-4-9-26-21-8-7-17(35(31,32)29-11-13-33-14-12-29)15-19(21)23(30)27-24-20(16-25)18-5-3-6-22(18)34-24/h7-8,15,26H,3-6,9-14H2,1-2H3,(H,27,30)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Antibacterial activity against UDP-MurNAc-pentapeptide synthetase from Streptococcus pneumoniae.				Bioorg Med Chem Lett 14: 267-70 (2003) BindingDB Entry DOI: 10.7270/Q2R49Q55
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (Streptococcus pneumoniae (Firmicutes))	BDBM50137784 (4-Chloro-3-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]t...) Show SMILES CCN(CC)S(=O)(=O)c1ccc(Cl)c(CNc2sc3CCCc3c2C#N)c1 Show InChI InChI=1S/C19H22ClN3O2S2/c1-3-23(4-2)27(24,25)14-8-9-17(20)13(10-14)12-22-19-16(11-21)15-6-5-7-18(15)26-19/h8-10,22H,3-7,12H2,1-2H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Antibacterial activity against UDP-MurNAc-pentapeptide synthetase from Streptococcus pneumoniae.				Bioorg Med Chem Lett 14: 267-70 (2003) BindingDB Entry DOI: 10.7270/Q2R49Q55
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (Streptococcus pneumoniae (Firmicutes))	BDBM50137774 (CHEMBL313359 | N-(3-Aminomethyl-5,6-dihydro-4H-cyc...) Show SMILES CCN(CC)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc1sc2CCCc2c1CN Show InChI InChI=1S/C19H24ClN3O3S2/c1-3-23(4-2)28(25,26)12-8-9-16(20)14(10-12)18(24)22-19-15(11-21)13-6-5-7-17(13)27-19/h8-10H,3-7,11,21H2,1-2H3,(H,22,24)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Antibacterial activity against UDP-MurNAc-pentapeptide synthetase from Streptococcus pneumoniae.				Bioorg Med Chem Lett 14: 267-70 (2003) BindingDB Entry DOI: 10.7270/Q2R49Q55
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (Streptococcus pneumoniae (Firmicutes))	BDBM50137772 (CHEMBL91823 | N-(3-Cyano-5,6-dihydro-4H-cyclopenta...) Show SMILES CCOc1ccc(cc1C(=O)Nc1sc2CCCc2c1C#N)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C21H23N3O5S2/c1-2-29-18-7-6-14(31(26,27)24-8-10-28-11-9-24)12-16(18)20(25)23-21-17(13-22)15-4-3-5-19(15)30-21/h6-7,12H,2-5,8-11H2,1H3,(H,23,25)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Antibacterial activity against UDP-MurNAc-pentapeptide synthetase from Streptococcus pneumoniae.				Bioorg Med Chem Lett 14: 267-70 (2003) BindingDB Entry DOI: 10.7270/Q2R49Q55
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (Streptococcus pneumoniae (Firmicutes))	BDBM50137777 (CHEMBL89936 | N-(3-cyano-5,6-dihydro-4H-cyclopenta...) Show SMILES CC(COc1ccc(cc1C(=O)Nc1sc2CCCc2c1C#N)S(=O)(=O)N1CCOCC1)c1ccccc1 Show InChI InChI=1S/C28H29N3O5S2/c1-19(20-6-3-2-4-7-20)18-36-25-11-10-21(38(33,34)31-12-14-35-15-13-31)16-23(25)27(32)30-28-24(17-29)22-8-5-9-26(22)37-28/h2-4,6-7,10-11,16,19H,5,8-9,12-15,18H2,1H3,(H,30,32)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Antibacterial activity against UDP-MurNAc-pentapeptide synthetase from Streptococcus pneumoniae.				Bioorg Med Chem Lett 14: 267-70 (2003) BindingDB Entry DOI: 10.7270/Q2R49Q55
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (Streptococcus pneumoniae (Firmicutes))	BDBM50137773 (4-Chloro-3-[1-(3-cyano-5,6-dihydro-4H-cyclopenta[b...) Show SMILES CCN(CC)S(=O)(=O)c1ccc(Cl)c(c1)C(C)Nc1sc2CCCc2c1C#N Show InChI InChI=1S/C20H24ClN3O2S2/c1-4-24(5-2)28(25,26)14-9-10-18(21)16(11-14)13(3)23-20-17(12-22)15-7-6-8-19(15)27-20/h9-11,13,23H,4-8H2,1-3H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Antibacterial activity against UDP-MurNAc-pentapeptide synthetase from Streptococcus pneumoniae.				Bioorg Med Chem Lett 14: 267-70 (2003) BindingDB Entry DOI: 10.7270/Q2R49Q55
					More data for this Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (Streptococcus pneumoniae (Firmicutes))	BDBM50137771 (CHEMBL90131 | N-[3-(Acetylamino-methyl)-5,6-dihydr...) Show SMILES CCN(CC)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc1sc2CCCc2c1CNC(C)=O Show InChI InChI=1S/C21H26ClN3O4S2/c1-4-25(5-2)31(28,29)14-9-10-18(22)16(11-14)20(27)24-21-17(12-23-13(3)26)15-7-6-8-19(15)30-21/h9-11H,4-8,12H2,1-3H3,(H,23,26)(H,24,27)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Antibacterial activity against UDP-MurNAc-pentapeptide synthetase from Streptococcus pneumoniae.				Bioorg Med Chem Lett 14: 267-70 (2003) BindingDB Entry DOI: 10.7270/Q2R49Q55
					More data for this Ligand-Target Pair

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