Compile Data Set for Download or QSAR

Found 67 hits with Last Name = 'kwak' and Initial = 'jh'   

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
cGMP-specific 3',5'-cyclic phosphodiesterase (Rattus norvegicus)	BDBM50116711 (3,7-Dihydroxy-2-(4-hydroxy-phenyl)-5-methoxy-8-(3-...) Show SMILES [#6]-[#8]-c1cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2oc(c(-[#8])c(=O)c12)-c1ccc(-[#8])cc1 Show InChI InChI=1S/C21H20O6/c1-11(2)4-9-14-15(23)10-16(26-3)17-18(24)19(25)20(27-21(14)17)12-5-7-13(22)8-6-12/h4-8,10,22-23,25H,9H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science& Technology Curated by ChEMBL					Assay Description Inhibition of Phosphodiesterase 5 from rat diaphragm				Bioorg Med Chem Lett 12: 2313-6 (2002) BindingDB Entry DOI: 10.7270/Q21R6R2S
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Rattus norvegicus)	BDBM14390 (5-[2-ethoxy-5-(4-methyl-1-piperazinylsulfonyl)phen...) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science& Technology Curated by ChEMBL					Assay Description Inhibition of Phosphodiesterase 5 from rat diaphragm				Bioorg Med Chem Lett 12: 2313-6 (2002) BindingDB Entry DOI: 10.7270/Q21R6R2S
					More data for this Ligand-Target Pair				3D Structure (crystal)
cGMP-specific 3',5'-cyclic phosphodiesterase (Rattus norvegicus)	BDBM50116711 (3,7-Dihydroxy-2-(4-hydroxy-phenyl)-5-methoxy-8-(3-...) Show SMILES [#6]-[#8]-c1cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2oc(c(-[#8])c(=O)c12)-c1ccc(-[#8])cc1 Show InChI InChI=1S/C21H20O6/c1-11(2)4-9-14-15(23)10-16(26-3)17-18(24)19(25)20(27-21(14)17)12-5-7-13(22)8-6-12/h4-8,10,22-23,25H,9H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science& Technology Curated by ChEMBL					Assay Description Inhibition of Phosphodiesterase 5 from rat diaphragm				Bioorg Med Chem Lett 12: 2313-6 (2002) BindingDB Entry DOI: 10.7270/Q21R6R2S
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50123843 (CHEMBL3623427) Show SMILES Cc1ccc(Oc2cn(C)c(COc3ccccc3)cc2=O)c(C)c1 Show InChI InChI=1S/C21H21NO3/c1-15-9-10-20(16(2)11-15)25-21-13-22(3)17(12-19(21)23)14-24-18-7-5-4-6-8-18/h4-13H,14H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
The Catholic University of Korea Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...				Bioorg Med Chem Lett 25: 4481-6 (2015) Article DOI: 10.1016/j.bmcl.2015.08.077 BindingDB Entry DOI: 10.7270/Q2154JV0
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50123848 (CHEMBL3623422) Show SMILES Cc1cc(Cl)ccc1Oc1cn(C)c(COc2ccccc2)cc1=O Show InChI InChI=1S/C20H18ClNO3/c1-14-10-15(21)8-9-19(14)25-20-12-22(2)16(11-18(20)23)13-24-17-6-4-3-5-7-17/h3-12H,13H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
The Catholic University of Korea Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...				Bioorg Med Chem Lett 25: 4481-6 (2015) Article DOI: 10.1016/j.bmcl.2015.08.077 BindingDB Entry DOI: 10.7270/Q2154JV0
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50123853 (CHEMBL3623417) Show SMILES Cn1cc(Oc2ccc(Cl)cc2Cl)c(=O)cc1COc1ccccc1 Show InChI InChI=1S/C19H15Cl2NO3/c1-22-11-19(25-18-8-7-13(20)9-16(18)21)17(23)10-14(22)12-24-15-5-3-2-4-6-15/h2-11H,12H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
The Catholic University of Korea Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...				Bioorg Med Chem Lett 25: 4481-6 (2015) Article DOI: 10.1016/j.bmcl.2015.08.077 BindingDB Entry DOI: 10.7270/Q2154JV0
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50123838 (CHEMBL3623432) Show SMILES Cn1cc(Oc2cccc(Cl)c2Cl)c(=O)cc1COc1ccccc1 Show InChI InChI=1S/C19H15Cl2NO3/c1-22-11-18(25-17-9-5-8-15(20)19(17)21)16(23)10-13(22)12-24-14-6-3-2-4-7-14/h2-11H,12H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
The Catholic University of Korea Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...				Bioorg Med Chem Lett 25: 4481-6 (2015) Article DOI: 10.1016/j.bmcl.2015.08.077 BindingDB Entry DOI: 10.7270/Q2154JV0
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50123827 (CHEMBL3623392) Show SMILES Cc1ccc(Oc2coc(COc3ccccc3)cc2=O)c(C)c1 Show InChI InChI=1S/C20H18O4/c1-14-8-9-19(15(2)10-14)24-20-13-23-17(11-18(20)21)12-22-16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
The Catholic University of Korea Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...				Bioorg Med Chem Lett 25: 4481-6 (2015) Article DOI: 10.1016/j.bmcl.2015.08.077 BindingDB Entry DOI: 10.7270/Q2154JV0
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50123849 (CHEMBL3623421) Show SMILES Cc1cc(Cl)ccc1Oc1c[nH]c(COc2ccccc2)cc1=O Show InChI InChI=1S/C19H16ClNO3/c1-13-9-14(20)7-8-18(13)24-19-11-21-15(10-17(19)22)12-23-16-5-3-2-4-6-16/h2-11H,12H2,1H3,(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	400	n/a	n/a	n/a	n/a	n/a	n/a
The Catholic University of Korea Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...				Bioorg Med Chem Lett 25: 4481-6 (2015) Article DOI: 10.1016/j.bmcl.2015.08.077 BindingDB Entry DOI: 10.7270/Q2154JV0
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM8726 (5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...) Show SMILES Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
The Catholic University of Korea Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...				Bioorg Med Chem Lett 25: 4481-6 (2015) Article DOI: 10.1016/j.bmcl.2015.08.077 BindingDB Entry DOI: 10.7270/Q2154JV0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50123828 (CHEMBL3623391) Show SMILES Cc1cc(Cl)ccc1Oc1coc(COc2ccccc2)cc1=O Show InChI InChI=1S/C19H15ClO4/c1-13-9-14(20)7-8-18(13)24-19-12-23-16(10-17(19)21)11-22-15-5-3-2-4-6-15/h2-10,12H,11H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
The Catholic University of Korea Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...				Bioorg Med Chem Lett 25: 4481-6 (2015) Article DOI: 10.1016/j.bmcl.2015.08.077 BindingDB Entry DOI: 10.7270/Q2154JV0
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50123847 (CHEMBL3623423) Show SMILES Cc1cc(Cl)ccc1Oc1cn(C2CC2)c(COc2ccccc2)cc1=O Show InChI InChI=1S/C22H20ClNO3/c1-15-11-16(23)7-10-21(15)27-22-13-24(17-8-9-17)18(12-20(22)25)14-26-19-5-3-2-4-6-19/h2-7,10-13,17H,8-9,14H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
The Catholic University of Korea Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...				Bioorg Med Chem Lett 25: 4481-6 (2015) Article DOI: 10.1016/j.bmcl.2015.08.077 BindingDB Entry DOI: 10.7270/Q2154JV0
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50123852 (CHEMBL3623418) Show SMILES Clc1ccc(Oc2cn(C3CC3)c(COc3ccccc3)cc2=O)c(Cl)c1 Show InChI InChI=1S/C21H17Cl2NO3/c22-14-6-9-20(18(23)10-14)27-21-12-24(15-7-8-15)16(11-19(21)25)13-26-17-4-2-1-3-5-17/h1-6,9-12,15H,7-8,13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
The Catholic University of Korea Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...				Bioorg Med Chem Lett 25: 4481-6 (2015) Article DOI: 10.1016/j.bmcl.2015.08.077 BindingDB Entry DOI: 10.7270/Q2154JV0
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50123846 (CHEMBL3623424) Show SMILES CCCCn1cc(Oc2ccc(Cl)cc2C)c(=O)cc1COc1ccccc1 Show InChI InChI=1S/C23H24ClNO3/c1-3-4-12-25-15-23(28-22-11-10-18(24)13-17(22)2)21(26)14-19(25)16-27-20-8-6-5-7-9-20/h5-11,13-15H,3-4,12,16H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
The Catholic University of Korea Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...				Bioorg Med Chem Lett 25: 4481-6 (2015) Article DOI: 10.1016/j.bmcl.2015.08.077 BindingDB Entry DOI: 10.7270/Q2154JV0
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Rattus norvegicus)	BDBM50366787 (KURAIDIN) Show SMILES [#6]-[#8]-c1cc(-[#8])c(-[#6]-[#6@@H](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#6])=[#6])c(-[#8])c1-[#6](=O)\[#6]=[#6]\c1ccc(-[#8])cc1-[#8] Show InChI InChI=1S/C26H30O6/c1-15(2)6-7-18(16(3)4)12-20-23(30)14-24(32-5)25(26(20)31)21(28)11-9-17-8-10-19(27)13-22(17)29/h6,8-11,13-14,18,27,29-31H,3,7,12H2,1-2,4-5H3/b11-9+/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science& Technology Curated by ChEMBL					Assay Description Inhibition of Phosphodiesterase 5 from rat diaphragm				Bioorg Med Chem Lett 12: 2313-6 (2002) BindingDB Entry DOI: 10.7270/Q21R6R2S
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50123845 (CHEMBL3623425) Show SMILES Cc1cc(Cl)ccc1Oc1cn(Cc2ccccc2)c(COc2ccccc2)cc1=O Show InChI InChI=1S/C26H22ClNO3/c1-19-14-21(27)12-13-25(19)31-26-17-28(16-20-8-4-2-5-9-20)22(15-24(26)29)18-30-23-10-6-3-7-11-23/h2-15,17H,16,18H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
The Catholic University of Korea Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...				Bioorg Med Chem Lett 25: 4481-6 (2015) Article DOI: 10.1016/j.bmcl.2015.08.077 BindingDB Entry DOI: 10.7270/Q2154JV0
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50123832 (CHEMBL3621751) Show SMILES Cn1cc(Oc2cccc(c2Cl)[N+]([O-])=O)c(=O)cc1COc1ccccc1 Show InChI InChI=1S/C19H15ClN2O5/c1-21-11-18(27-17-9-5-8-15(19(17)20)22(24)25)16(23)10-13(21)12-26-14-6-3-2-4-7-14/h2-11H,12H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
The Catholic University of Korea Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...				Bioorg Med Chem Lett 25: 4481-6 (2015) Article DOI: 10.1016/j.bmcl.2015.08.077 BindingDB Entry DOI: 10.7270/Q2154JV0
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50123829 (CHEMBL3623390) Show SMILES Clc1ccc(Oc2coc(COc3ccccc3)cc2=O)c(Cl)c1 Show InChI InChI=1S/C18H12Cl2O4/c19-12-6-7-17(15(20)8-12)24-18-11-23-14(9-16(18)21)10-22-13-4-2-1-3-5-13/h1-9,11H,10H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
The Catholic University of Korea Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...				Bioorg Med Chem Lett 25: 4481-6 (2015) Article DOI: 10.1016/j.bmcl.2015.08.077 BindingDB Entry DOI: 10.7270/Q2154JV0
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50123835 (CHEMBL3621748) Show SMILES Cn1cc(Oc2c(Cl)cccc2Cl)c(=O)cc1COc1ccccc1 Show InChI InChI=1S/C19H15Cl2NO3/c1-22-11-18(25-19-15(20)8-5-9-16(19)21)17(23)10-13(22)12-24-14-6-3-2-4-7-14/h2-11H,12H2,1H3	PDB MMDB KEGG 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
The Catholic University of Korea Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...				Bioorg Med Chem Lett 25: 4481-6 (2015) Article DOI: 10.1016/j.bmcl.2015.08.077 BindingDB Entry DOI: 10.7270/Q2154JV0
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50123839 (CHEMBL3623431) Show SMILES Clc1cccc(Oc2c[nH]c(COc3ccccc3)cc2=O)c1Cl Show InChI InChI=1S/C18H13Cl2NO3/c19-14-7-4-8-16(18(14)20)24-17-10-21-12(9-15(17)22)11-23-13-5-2-1-3-6-13/h1-10H,11H2,(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	840	n/a	n/a	n/a	n/a	n/a	n/a
The Catholic University of Korea Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...				Bioorg Med Chem Lett 25: 4481-6 (2015) Article DOI: 10.1016/j.bmcl.2015.08.077 BindingDB Entry DOI: 10.7270/Q2154JV0
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50123841 (CHEMBL3623429) Show SMILES CCCCn1cc(Oc2ccc(C)cc2C)c(=O)cc1COc1ccccc1 Show InChI InChI=1S/C24H27NO3/c1-4-5-13-25-16-24(28-23-12-11-18(2)14-19(23)3)22(26)15-20(25)17-27-21-9-7-6-8-10-21/h6-12,14-16H,4-5,13,17H2,1-3H3	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+3	n/a	n/a	n/a	n/a	n/a	n/a
The Catholic University of Korea Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...				Bioorg Med Chem Lett 25: 4481-6 (2015) Article DOI: 10.1016/j.bmcl.2015.08.077 BindingDB Entry DOI: 10.7270/Q2154JV0
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D (RAT-Rattus norvegicus)	BDBM14361 ((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...) Show SMILES COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1 Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science& Technology Curated by ChEMBL					Assay Description Inhibition of Phosphodiesterase 4 from rat liver				Bioorg Med Chem Lett 12: 2313-6 (2002) BindingDB Entry DOI: 10.7270/Q21R6R2S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50123844 (CHEMBL3623426) Show SMILES Cc1ccc(Oc2c[nH]c(COc3ccccc3)cc2=O)c(C)c1 Show InChI InChI=1S/C20H19NO3/c1-14-8-9-19(15(2)10-14)24-20-12-21-16(11-18(20)22)13-23-17-6-4-3-5-7-17/h3-12H,13H2,1-2H3,(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	1.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Catholic University of Korea Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...				Bioorg Med Chem Lett 25: 4481-6 (2015) Article DOI: 10.1016/j.bmcl.2015.08.077 BindingDB Entry DOI: 10.7270/Q2154JV0
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50123851 (CHEMBL3623419) Show SMILES CCCCn1cc(Oc2ccc(Cl)cc2Cl)c(=O)cc1COc1ccccc1 Show InChI InChI=1S/C22H21Cl2NO3/c1-2-3-11-25-14-22(28-21-10-9-16(23)12-19(21)24)20(26)13-17(25)15-27-18-7-5-4-6-8-18/h4-10,12-14H,2-3,11,15H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Catholic University of Korea Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...				Bioorg Med Chem Lett 25: 4481-6 (2015) Article DOI: 10.1016/j.bmcl.2015.08.077 BindingDB Entry DOI: 10.7270/Q2154JV0
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50123826 (CHEMBL3623393) Show SMILES Clc1cccc(Oc2coc(COc3ccccc3)cc2=O)c1Cl Show InChI InChI=1S/C18H12Cl2O4/c19-14-7-4-8-16(18(14)20)24-17-11-23-13(9-15(17)21)10-22-12-5-2-1-3-6-12/h1-9,11H,10H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Catholic University of Korea Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...				Bioorg Med Chem Lett 25: 4481-6 (2015) Article DOI: 10.1016/j.bmcl.2015.08.077 BindingDB Entry DOI: 10.7270/Q2154JV0
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50123825 (CHEMBL3623394) Show SMILES Clc1cccc(Cl)c1Oc1coc(COc2ccccc2)cc1=O Show InChI InChI=1S/C18H12Cl2O4/c19-14-7-4-8-15(20)18(14)24-17-11-23-13(9-16(17)21)10-22-12-5-2-1-3-6-12/h1-9,11H,10H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.42E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Catholic University of Korea Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...				Bioorg Med Chem Lett 25: 4481-6 (2015) Article DOI: 10.1016/j.bmcl.2015.08.077 BindingDB Entry DOI: 10.7270/Q2154JV0
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50123850 (CHEMBL3623420) Show SMILES Clc1ccc(Oc2cn(Cc3ccccc3)c(COc3ccccc3)cc2=O)c(Cl)c1 Show InChI InChI=1S/C25H19Cl2NO3/c26-19-11-12-24(22(27)13-19)31-25-16-28(15-18-7-3-1-4-8-18)20(14-23(25)29)17-30-21-9-5-2-6-10-21/h1-14,16H,15,17H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.42E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Catholic University of Korea Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...				Bioorg Med Chem Lett 25: 4481-6 (2015) Article DOI: 10.1016/j.bmcl.2015.08.077 BindingDB Entry DOI: 10.7270/Q2154JV0
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50123837 (CHEMBL3621746) Show SMILES Clc1cccc(Oc2cn(C3CC3)c(COc3ccccc3)cc2=O)c1Cl Show InChI InChI=1S/C21H17Cl2NO3/c22-17-7-4-8-19(21(17)23)27-20-12-24(14-9-10-14)15(11-18(20)25)13-26-16-5-2-1-3-6-16/h1-8,11-12,14H,9-10,13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Catholic University of Korea Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...				Bioorg Med Chem Lett 25: 4481-6 (2015) Article DOI: 10.1016/j.bmcl.2015.08.077 BindingDB Entry DOI: 10.7270/Q2154JV0
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50123854 (CHEMBL3623416) Show SMILES Clc1ccc(Oc2c[nH]c(COc3ccccc3)cc2=O)c(Cl)c1 Show InChI InChI=1S/C18H13Cl2NO3/c19-12-6-7-17(15(20)8-12)24-18-10-21-13(9-16(18)22)11-23-14-4-2-1-3-5-14/h1-10H,11H2,(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	1.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Catholic University of Korea Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...				Bioorg Med Chem Lett 25: 4481-6 (2015) Article DOI: 10.1016/j.bmcl.2015.08.077 BindingDB Entry DOI: 10.7270/Q2154JV0
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50123865 (CHEMBL3623406) Show SMILES Clc1ccc(Oc2coc(\C=C\c3ccoc3)cc2=O)c(Cl)c1 Show InChI InChI=1S/C17H10Cl2O4/c18-12-2-4-16(14(19)7-12)23-17-10-22-13(8-15(17)20)3-1-11-5-6-21-9-11/h1-10H/b3-1+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Catholic University of Korea Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...				Bioorg Med Chem Lett 25: 4481-6 (2015) Article DOI: 10.1016/j.bmcl.2015.08.077 BindingDB Entry DOI: 10.7270/Q2154JV0
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50123864 (CHEMBL3623407) Show SMILES Clc1ccc(Oc2coc(\C=C\c3cccnc3)cc2=O)c(Cl)c1 Show InChI InChI=1S/C18H11Cl2NO3/c19-13-4-6-17(15(20)8-13)24-18-11-23-14(9-16(18)22)5-3-12-2-1-7-21-10-12/h1-11H/b5-3+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Catholic University of Korea Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...				Bioorg Med Chem Lett 25: 4481-6 (2015) Article DOI: 10.1016/j.bmcl.2015.08.077 BindingDB Entry DOI: 10.7270/Q2154JV0
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50123862 (CHEMBL3621228) Show SMILES Cc1ccc(Oc2coc(\C=C\c3ccoc3)cc2=O)c(C)c1 Show InChI InChI=1S/C19H16O4/c1-13-3-6-18(14(2)9-13)23-19-12-22-16(10-17(19)20)5-4-15-7-8-21-11-15/h3-12H,1-2H3/b5-4+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Catholic University of Korea Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...				Bioorg Med Chem Lett 25: 4481-6 (2015) Article DOI: 10.1016/j.bmcl.2015.08.077 BindingDB Entry DOI: 10.7270/Q2154JV0
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50123822 (CHEMBL3623397) Show SMILES Cc1cc(Cl)ccc1Oc1coc(\C=C\c2ccoc2)cc1=O Show InChI InChI=1S/C18H13ClO4/c1-12-8-14(19)3-5-17(12)23-18-11-22-15(9-16(18)20)4-2-13-6-7-21-10-13/h2-11H,1H3/b4-2+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Catholic University of Korea Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...				Bioorg Med Chem Lett 25: 4481-6 (2015) Article DOI: 10.1016/j.bmcl.2015.08.077 BindingDB Entry DOI: 10.7270/Q2154JV0
					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D (RAT-Rattus norvegicus)	BDBM50116711 (3,7-Dihydroxy-2-(4-hydroxy-phenyl)-5-methoxy-8-(3-...) Show SMILES [#6]-[#8]-c1cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2oc(c(-[#8])c(=O)c12)-c1ccc(-[#8])cc1 Show InChI InChI=1S/C21H20O6/c1-11(2)4-9-14-15(23)10-16(26-3)17-18(24)19(25)20(27-21(14)17)12-5-7-13(22)8-6-12/h4-8,10,22-23,25H,9H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science& Technology Curated by ChEMBL					Assay Description Inhibition of Phosphodiesterase 4 from rat liver				Bioorg Med Chem Lett 12: 2313-6 (2002) BindingDB Entry DOI: 10.7270/Q21R6R2S
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50123840 (CHEMBL3623430) Show SMILES Cc1ccc(Oc2cn(Cc3ccccc3)c(COc3ccccc3)cc2=O)c(C)c1 Show InChI InChI=1S/C27H25NO3/c1-20-13-14-26(21(2)15-20)31-27-18-28(17-22-9-5-3-6-10-22)23(16-25(27)29)19-30-24-11-7-4-8-12-24/h3-16,18H,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	2.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Catholic University of Korea Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...				Bioorg Med Chem Lett 25: 4481-6 (2015) Article DOI: 10.1016/j.bmcl.2015.08.077 BindingDB Entry DOI: 10.7270/Q2154JV0
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50123820 (CHEMBL3623399) Show SMILES Cc1cc(Cl)ccc1Oc1coc(\C=C\c2cccnc2)cc1=O Show InChI InChI=1S/C19H14ClNO3/c1-13-9-15(20)5-7-18(13)24-19-12-23-16(10-17(19)22)6-4-14-3-2-8-21-11-14/h2-12H,1H3/b6-4+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Catholic University of Korea Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...				Bioorg Med Chem Lett 25: 4481-6 (2015) Article DOI: 10.1016/j.bmcl.2015.08.077 BindingDB Entry DOI: 10.7270/Q2154JV0
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50123819 (CHEMBL3623400) Show SMILES Cc1cc(Cl)ccc1Oc1coc(\C=C\c2ccsc2)cc1=O Show InChI InChI=1S/C18H13ClO3S/c1-12-8-14(19)3-5-17(12)22-18-10-21-15(9-16(18)20)4-2-13-6-7-23-11-13/h2-11H,1H3/b4-2+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Catholic University of Korea Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...				Bioorg Med Chem Lett 25: 4481-6 (2015) Article DOI: 10.1016/j.bmcl.2015.08.077 BindingDB Entry DOI: 10.7270/Q2154JV0
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50123842 (CHEMBL3623428) Show SMILES Cc1ccc(Oc2cn(C3CC3)c(COc3ccccc3)cc2=O)c(C)c1 Show InChI InChI=1S/C23H23NO3/c1-16-8-11-22(17(2)12-16)27-23-14-24(18-9-10-18)19(13-21(23)25)15-26-20-6-4-3-5-7-20/h3-8,11-14,18H,9-10,15H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Catholic University of Korea Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...				Bioorg Med Chem Lett 25: 4481-6 (2015) Article DOI: 10.1016/j.bmcl.2015.08.077 BindingDB Entry DOI: 10.7270/Q2154JV0
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50123858 (CHEMBL3623412) Show SMILES Clc1cccc(Oc2coc(\C=C\c3cccnc3)cc2=O)c1Cl Show InChI InChI=1S/C18H11Cl2NO3/c19-14-4-1-5-16(18(14)20)24-17-11-23-13(9-15(17)22)7-6-12-3-2-8-21-10-12/h1-11H/b7-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.44E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Catholic University of Korea Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...				Bioorg Med Chem Lett 25: 4481-6 (2015) Article DOI: 10.1016/j.bmcl.2015.08.077 BindingDB Entry DOI: 10.7270/Q2154JV0
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50123861 (CHEMBL3623409) Show SMILES Cc1ccc(Oc2coc(\C=C\c3cccnc3)cc2=O)c(C)c1 Show InChI InChI=1S/C20H17NO3/c1-14-5-8-19(15(2)10-14)24-20-13-23-17(11-18(20)22)7-6-16-4-3-9-21-12-16/h3-13H,1-2H3/b7-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Catholic University of Korea Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...				Bioorg Med Chem Lett 25: 4481-6 (2015) Article DOI: 10.1016/j.bmcl.2015.08.077 BindingDB Entry DOI: 10.7270/Q2154JV0
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50123824 (CHEMBL3623395) Show SMILES Cc1c(Oc2coc(COc3ccccc3)cc2=O)cccc1[N+]([O-])=O Show InChI InChI=1S/C19H15NO6/c1-13-16(20(22)23)8-5-9-18(13)26-19-12-25-15(10-17(19)21)11-24-14-6-3-2-4-7-14/h2-10,12H,11H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Catholic University of Korea Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...				Bioorg Med Chem Lett 25: 4481-6 (2015) Article DOI: 10.1016/j.bmcl.2015.08.077 BindingDB Entry DOI: 10.7270/Q2154JV0
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50123855 (CHEMBL3623415) Show SMILES Clc1cccc(Cl)c1Oc1coc(\C=C\c2cccnc2)cc1=O Show InChI InChI=1S/C18H11Cl2NO3/c19-14-4-1-5-15(20)18(14)24-17-11-23-13(9-16(17)22)7-6-12-3-2-8-21-10-12/h1-11H/b7-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Catholic University of Korea Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...				Bioorg Med Chem Lett 25: 4481-6 (2015) Article DOI: 10.1016/j.bmcl.2015.08.077 BindingDB Entry DOI: 10.7270/Q2154JV0
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50123821 (CHEMBL3623398) Show SMILES Cc1cc(Cl)ccc1Oc1coc(\C=C\c2ccco2)cc1=O Show InChI InChI=1S/C18H13ClO4/c1-12-9-13(19)4-7-17(12)23-18-11-22-15(10-16(18)20)6-5-14-3-2-8-21-14/h2-11H,1H3/b6-5+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Catholic University of Korea Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...				Bioorg Med Chem Lett 25: 4481-6 (2015) Article DOI: 10.1016/j.bmcl.2015.08.077 BindingDB Entry DOI: 10.7270/Q2154JV0
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50123856 (CHEMBL3623414) Show SMILES Clc1cccc(Cl)c1Oc1coc(\C=C\c2ccoc2)cc1=O Show InChI InChI=1S/C17H10Cl2O4/c18-13-2-1-3-14(19)17(13)23-16-10-22-12(8-15(16)20)5-4-11-6-7-21-9-11/h1-10H/b5-4+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Catholic University of Korea Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...				Bioorg Med Chem Lett 25: 4481-6 (2015) Article DOI: 10.1016/j.bmcl.2015.08.077 BindingDB Entry DOI: 10.7270/Q2154JV0
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50123866 (CHEMBL3623405) Show SMILES Clc1ccc(Oc2coc(\C=C\c3ccccc3)cc2=O)c(Cl)c1 Show InChI InChI=1S/C19H12Cl2O3/c20-14-7-9-18(16(21)10-14)24-19-12-23-15(11-17(19)22)8-6-13-4-2-1-3-5-13/h1-12H/b8-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.53E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Catholic University of Korea Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...				Bioorg Med Chem Lett 25: 4481-6 (2015) Article DOI: 10.1016/j.bmcl.2015.08.077 BindingDB Entry DOI: 10.7270/Q2154JV0
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50123818 (CHEMBL3623401) Show SMILES Cc1cc(Cl)ccc1Oc1coc(\C=C\c2cccs2)cc1=O Show InChI InChI=1S/C18H13ClO3S/c1-12-9-13(19)4-7-17(12)22-18-11-21-14(10-16(18)20)5-6-15-3-2-8-23-15/h2-11H,1H3/b6-5+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.57E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Catholic University of Korea Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...				Bioorg Med Chem Lett 25: 4481-6 (2015) Article DOI: 10.1016/j.bmcl.2015.08.077 BindingDB Entry DOI: 10.7270/Q2154JV0
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Rattus norvegicus)	BDBM50116713 ((2R,3R)-2-(2,4-Dihydroxy-phenyl)-3,7-dihydroxy-8-(...) Show SMILES COc1cc(O)c(CC(CCC(C)(C)O)C(C)=C)c2O[C@@H]([C@@H](O)C(=O)c12)c1ccc(O)cc1O Show InChI InChI=1S/C26H32O8/c1-13(2)14(8-9-26(3,4)32)10-17-19(29)12-20(33-5)21-22(30)23(31)25(34-24(17)21)16-7-6-15(27)11-18(16)28/h6-7,11-12,14,23,25,27-29,31-32H,1,8-10H2,2-5H3/t14?,23-,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science& Technology Curated by ChEMBL					Assay Description Inhibition of Phosphodiesterase 5 from rat diaphragm				Bioorg Med Chem Lett 12: 2313-6 (2002) BindingDB Entry DOI: 10.7270/Q21R6R2S
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50123857 (CHEMBL3623413) Show SMILES Clc1cccc(Cl)c1Oc1coc(\C=C\c2ccccc2)cc1=O Show InChI InChI=1S/C19H12Cl2O3/c20-15-7-4-8-16(21)19(15)24-18-12-23-14(11-17(18)22)10-9-13-5-2-1-3-6-13/h1-12H/b10-9+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.79E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Catholic University of Korea Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...				Bioorg Med Chem Lett 25: 4481-6 (2015) Article DOI: 10.1016/j.bmcl.2015.08.077 BindingDB Entry DOI: 10.7270/Q2154JV0
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50123823 (CHEMBL3623396) Show SMILES Cc1cc(Cl)ccc1Oc1coc(\C=C\c2ccccc2)cc1=O Show InChI InChI=1S/C20H15ClO3/c1-14-11-16(21)8-10-19(14)24-20-13-23-17(12-18(20)22)9-7-15-5-3-2-4-6-15/h2-13H,1H3/b9-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Catholic University of Korea Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...				Bioorg Med Chem Lett 25: 4481-6 (2015) Article DOI: 10.1016/j.bmcl.2015.08.077 BindingDB Entry DOI: 10.7270/Q2154JV0
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50123836 (CHEMBL3621747) Show SMILES Clc1cccc(Cl)c1Oc1c[nH]c(COc2ccccc2)cc1=O Show InChI InChI=1S/C18H13Cl2NO3/c19-14-7-4-8-15(20)18(14)24-17-10-21-12(9-16(17)22)11-23-13-5-2-1-3-6-13/h1-10H,11H2,(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	4.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Catholic University of Korea Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus FabI assessed as reduction in inhibition of reduction of trans-2-octenoyl N-acetylcysteamine substrate by spectro...				Bioorg Med Chem Lett 25: 4481-6 (2015) Article DOI: 10.1016/j.bmcl.2015.08.077 BindingDB Entry DOI: 10.7270/Q2154JV0
					More data for this Ligand-Target Pair

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