Compile Data Set for Download or QSAR

Found 432 hits with Last Name = 'moreau' and Initial = 'f'   

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
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A (Homo sapiens (Human))	BDBM50151638 (8''-chloro-5''-(5-hydroxy-1,2,4-oxadiazol-3-ylmeth...) Show SMILES Clc1ccc(OCc2nc(=O)o[nH]2)c2c1NC(=O)NC21CCCCC1 Show InChI InChI=1S/C16H17ClN4O4/c17-9-4-5-10(24-8-11-18-15(23)25-21-11)12-13(9)19-14(22)20-16(12)6-2-1-3-7-16/h4-5H,1-3,6-8H2,(H,18,21,23)(H2,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human PDE7A1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 14: 4627-31 (2004) Article DOI: 10.1016/j.bmcl.2004.07.010 BindingDB Entry DOI: 10.7270/Q2TT4QDX
					More data for this Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A (Homo sapiens (Human))	BDBM50151562 (7-{5-[(Z)-Cyclohexylimino]-4-methyl-4,5-dihydro-[1...) Show SMILES Cc1nc(N)c2ccc(cc2n1)-c1nn(C)\c(=N\C2CCCCC2)s1 Show InChI InChI=1S/C18H22N6S/c1-11-20-15-10-12(8-9-14(15)16(19)21-11)17-23-24(2)18(25-17)22-13-6-4-3-5-7-13/h8-10,13H,3-7H2,1-2H3,(H2,19,20,21)/b22-18-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human Phosphodiesterase 7A1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 14: 4607-13 (2004) Article DOI: 10.1016/j.bmcl.2004.07.008 BindingDB Entry DOI: 10.7270/Q2377855
					More data for this Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A (Homo sapiens (Human))	BDBM50151635 (8''-chloro-5''-(1H-1,2,3,4-tetraazol-5-ylmethoxy)s...) Show SMILES Clc1ccc(OCc2nnn[nH]2)c2c1NC(=O)NC21CCCCC1 Show InChI InChI=1S/C15H17ClN6O2/c16-9-4-5-10(24-8-11-19-21-22-20-11)12-13(9)17-14(23)18-15(12)6-2-1-3-7-15/h4-5H,1-3,6-8H2,(H2,17,18,23)(H,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human PDE7A1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 14: 4627-31 (2004) Article DOI: 10.1016/j.bmcl.2004.07.010 BindingDB Entry DOI: 10.7270/Q2TT4QDX
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50399411 (CHEMBL2178304 | PT405) Show SMILES CCc1cc(O)c(Oc2ccccc2F)cc1F Show InChI InChI=1S/C14H12F2O2/c1-2-9-7-12(17)14(8-11(9)16)18-13-6-4-3-5-10(13)15/h3-8,17H,2H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Mutabilis Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus recombinant FabI using trans-2-octenoyl N-acetylcysteamine thioester as substrate preincubated for 60 mins				J Med Chem 55: 9914-28 (2012) Article DOI: 10.1021/jm301113w BindingDB Entry DOI: 10.7270/Q2H99699
					More data for this Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A (Homo sapiens (Human))	BDBM50151634 (5-[8''-chloro-2''-oxospiro[cyclohexane-1,4''-(1'',...) Show SMILES OC(=O)c1ccc(COc2ccc(Cl)c3NC(=O)NC4(CCCCC4)c23)o1 Show InChI InChI=1S/C19H19ClN2O5/c20-12-5-7-13(26-10-11-4-6-14(27-11)17(23)24)15-16(12)21-18(25)22-19(15)8-2-1-3-9-19/h4-7H,1-3,8-10H2,(H,23,24)(H2,21,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human PDE7A1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 14: 4627-31 (2004) Article DOI: 10.1016/j.bmcl.2004.07.010 BindingDB Entry DOI: 10.7270/Q2TT4QDX
					More data for this Ligand-Target Pair
Peptidoglycan D,D-transpeptidase MrdA (Escherichia coli)	BDBM50512952 (CHEMBL4560540) Show SMILES [H][C@]12CN([C@H](CN)C=C1c1cnco1)C(=O)N2OS(O)(=O)=O |r,c:7| Show InChI InChI=1S/C10H12N4O6S/c11-2-6-1-7(9-3-12-5-19-9)8-4-13(6)10(15)14(8)20-21(16,17)18/h1,3,5-6,8H,2,4,11H2,(H,16,17,18)/t6-,8-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Mutabilis Curated by ChEMBL					Assay Description Inhibition of bocillin-FL binding to Escherichia coli K12 NusA-fused/His6-tagged PBP2 (57 to 615 residues) expressed in Escherichia coli BL21(DE3) pr...				J Med Chem 62: 4742-4754 (2019) Article DOI: 10.1021/acs.jmedchem.9b00338 BindingDB Entry DOI: 10.7270/Q2CZ3BG7
					More data for this Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A (Homo sapiens (Human))	BDBM50151649 (8''-chloro-5''-hydroxyspiro[cyclohexane-1,4''-(1''...) Show SMILES Oc1ccc(Cl)c2NC(=O)NC3(CCCCC3)c12 Show InChI InChI=1S/C13H15ClN2O2/c14-8-4-5-9(17)10-11(8)15-12(18)16-13(10)6-2-1-3-7-13/h4-5,17H,1-3,6-7H2,(H2,15,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human PDE7A1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 14: 4627-31 (2004) Article DOI: 10.1016/j.bmcl.2004.07.010 BindingDB Entry DOI: 10.7270/Q2TT4QDX
					More data for this Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A (Homo sapiens (Human))	BDBM50151644 (CHEMBL359890 | ethyl 5-[8''-chloro-2''-oxospiro[cy...) Show SMILES CCOC(=O)c1ccc(COc2ccc(Cl)c3NC(=O)NC4(CCCCC4)c23)o1 Show InChI InChI=1S/C21H23ClN2O5/c1-2-27-19(25)16-8-6-13(29-16)12-28-15-9-7-14(22)18-17(15)21(24-20(26)23-18)10-4-3-5-11-21/h6-9H,2-5,10-12H2,1H3,(H2,23,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human PDE7A1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 14: 4627-31 (2004) Article DOI: 10.1016/j.bmcl.2004.07.010 BindingDB Entry DOI: 10.7270/Q2TT4QDX
					More data for this Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A (Homo sapiens (Human))	BDBM50151609 (5'',8''-dichlorospiro[cyclohexane-1,4''-(1'',2'',3...) Show SMILES Clc1ccc(Cl)c2c1NC(=O)NC21CCCCC1 Show InChI InChI=1S/C13H14Cl2N2O/c14-8-4-5-9(15)11-10(8)13(17-12(18)16-11)6-2-1-3-7-13/h4-5H,1-3,6-7H2,(H2,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human PDE7A1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 14: 4627-31 (2004) Article DOI: 10.1016/j.bmcl.2004.07.010 BindingDB Entry DOI: 10.7270/Q2TT4QDX
					More data for this Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A (Homo sapiens (Human))	BDBM50151640 (8''-chloro-5''-methoxyspiro[cyclohexane-1,4''-(1''...) Show SMILES COc1ccc(Cl)c2NC(=O)NC3(CCCCC3)c12 Show InChI InChI=1S/C14H17ClN2O2/c1-19-10-6-5-9(15)12-11(10)14(17-13(18)16-12)7-3-2-4-8-14/h5-6H,2-4,7-8H2,1H3,(H2,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human PDE7A1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 14: 4627-31 (2004) Article DOI: 10.1016/j.bmcl.2004.07.010 BindingDB Entry DOI: 10.7270/Q2TT4QDX
					More data for this Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A (Homo sapiens (Human))	BDBM50151636 (3-[8''-chloro-2''-oxospiro[cyclohexane-1,4''-(1'',...) Show SMILES OS(=O)(=O)CCCOc1ccc(Cl)c2NC(=O)NC3(CCCCC3)c12 Show InChI InChI=1S/C16H21ClN2O5S/c17-11-5-6-12(24-9-4-10-25(21,22)23)13-14(11)18-15(20)19-16(13)7-2-1-3-8-16/h5-6H,1-4,7-10H2,(H2,18,19,20)(H,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human PDE7A1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 14: 4627-31 (2004) Article DOI: 10.1016/j.bmcl.2004.07.010 BindingDB Entry DOI: 10.7270/Q2TT4QDX
					More data for this Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A (Homo sapiens (Human))	BDBM50151615 (4-[8''-chloro-2''-oxospiro[cyclohexane-1,4''-(1'',...) Show SMILES OC(=O)c1ccc(cc1)-c1cc(Cl)c2NC(=O)NC3(CCCCC3)c2c1 Show InChI InChI=1S/C20H19ClN2O3/c21-16-11-14(12-4-6-13(7-5-12)18(24)25)10-15-17(16)22-19(26)23-20(15)8-2-1-3-9-20/h4-7,10-11H,1-3,8-9H2,(H,24,25)(H2,22,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of human Phosphodiesterase 7A1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 14: 4623-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.011 BindingDB Entry DOI: 10.7270/Q2ZG6RQX
					More data for this Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A (Homo sapiens (Human))	BDBM50151603 (1N-(3-dimethylaminopropyl)-3-[8''-chloro-2''-oxosp...) Show SMILES CN(C)CCCNC(=O)c1cccc(c1)-c1cc(Cl)c2NC(=O)NC3(CCCCC3)c2c1 Show InChI InChI=1S/C25H31ClN4O2/c1-30(2)13-7-12-27-23(31)18-9-6-8-17(14-18)19-15-20-22(21(26)16-19)28-24(32)29-25(20)10-4-3-5-11-25/h6,8-9,14-16H,3-5,7,10-13H2,1-2H3,(H,27,31)(H2,28,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of human Phosphodiesterase 7A1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 14: 4623-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.011 BindingDB Entry DOI: 10.7270/Q2ZG6RQX
					More data for this Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A (Homo sapiens (Human))	BDBM50151605 (4-[8''-chloro-2''-oxospiro[cyclohexane-1,4''-(1'',...) Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cc(Cl)c2NC(=O)NC3(CCCCC3)c2c1 Show InChI InChI=1S/C25H29ClN4O2/c1-29-11-13-30(14-12-29)23(31)18-7-5-17(6-8-18)19-15-20-22(21(26)16-19)27-24(32)28-25(20)9-3-2-4-10-25/h5-8,15-16H,2-4,9-14H2,1H3,(H2,27,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of human Phosphodiesterase 7A1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 14: 4623-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.011 BindingDB Entry DOI: 10.7270/Q2ZG6RQX
					More data for this Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A (Homo sapiens (Human))	BDBM50151609 (5'',8''-dichlorospiro[cyclohexane-1,4''-(1'',2'',3...) Show SMILES Clc1ccc(Cl)c2c1NC(=O)NC21CCCCC1 Show InChI InChI=1S/C13H14Cl2N2O/c14-8-4-5-9(15)11-10(8)13(17-12(18)16-11)6-2-1-3-7-13/h4-5H,1-3,6-7H2,(H2,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human Phosphodiesterase 7A1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 14: 4623-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.011 BindingDB Entry DOI: 10.7270/Q2ZG6RQX
					More data for this Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A (Homo sapiens (Human))	BDBM50151593 (8''-chloro-6''-phenylspiro[cyclohexane-1,4''-(1'',...) Show SMILES Clc1cc(cc2c1NC(=O)NC21CCCCC1)-c1ccccc1 Show InChI InChI=1S/C19H19ClN2O/c20-16-12-14(13-7-3-1-4-8-13)11-15-17(16)21-18(23)22-19(15)9-5-2-6-10-19/h1,3-4,7-8,11-12H,2,5-6,9-10H2,(H2,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human Phosphodiesterase 7A1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 14: 4623-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.011 BindingDB Entry DOI: 10.7270/Q2ZG6RQX
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50399407 (CHEMBL2178284 | MUT056399) Show SMILES CCc1cc(O)c(Oc2ccc(cc2F)C(N)=O)cc1F Show InChI InChI=1S/C15H13F2NO3/c1-2-8-6-12(19)14(7-10(8)16)21-13-4-3-9(15(18)20)5-11(13)17/h3-7,19H,2H2,1H3,(H2,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Mutabilis Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus recombinant FabI using trans-2-octenoyl N-acetylcysteamine thioester as substrate preincubated for 60 mins				J Med Chem 55: 9914-28 (2012) Article DOI: 10.1021/jm301113w BindingDB Entry DOI: 10.7270/Q2H99699
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50399400 (CHEMBL2178291) Show SMILES CCc1cc(O)c(Oc2cccnc2F)cc1F Show InChI InChI=1S/C13H11F2NO2/c1-2-8-6-10(17)12(7-9(8)14)18-11-4-3-5-16-13(11)15/h3-7,17H,2H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Mutabilis Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus recombinant FabI using trans-2-octenoyl N-acetylcysteamine thioester as substrate preincubated for 60 mins				J Med Chem 55: 9914-28 (2012) Article DOI: 10.1021/jm301113w BindingDB Entry DOI: 10.7270/Q2H99699
					More data for this Ligand-Target Pair				3D Structure (crystal)
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50170205 ((R)-Phenyl-{[4-(4-pyridin-4-yl-phenyl)-thiophene-2...) Show SMILES OC(=O)[C@H](NC(=O)c1cc(cs1)-c1ccc(cc1)-c1ccncc1)c1ccccc1 Show InChI InChI=1S/C24H18N2O3S/c27-23(26-22(24(28)29)19-4-2-1-3-5-19)21-14-20(15-30-21)17-8-6-16(7-9-17)18-10-12-25-13-11-18/h1-15,22H,(H,26,27)(H,28,29)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of Matrix metalloprotease-12 in presence of 5 nM acetohydroximate				Bioorg Med Chem Lett 15: 3787-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.079 BindingDB Entry DOI: 10.7270/Q2736QFM
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50399404 (CHEMBL2178287 | US8623865, 1) Show SMILES CCc1cc(O)c(Oc2ccc(cc2F)C(=O)N2CCNC(=O)C2)cc1F Show InChI InChI=1S/C19H18F2N2O4/c1-2-11-8-15(24)17(9-13(11)20)27-16-4-3-12(7-14(16)21)19(26)23-6-5-22-18(25)10-23/h3-4,7-9,24H,2,5-6,10H2,1H3,(H,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Mutabilis Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus recombinant FabI using trans-2-octenoyl N-acetylcysteamine thioester as substrate preincubated for 60 mins				J Med Chem 55: 9914-28 (2012) Article DOI: 10.1021/jm301113w BindingDB Entry DOI: 10.7270/Q2H99699
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50399404 (CHEMBL2178287 | US8623865, 1) Show SMILES CCc1cc(O)c(Oc2ccc(cc2F)C(=O)N2CCNC(=O)C2)cc1F Show InChI InChI=1S/C19H18F2N2O4/c1-2-11-8-15(24)17(9-13(11)20)27-16-4-3-12(7-14(16)21)19(26)23-6-5-22-18(25)10-23/h3-4,7-9,24H,2,5-6,10H2,1H3,(H,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	6.5	n/a
Fab Pharma S.A.S. US Patent					Assay Description The assay buffer AB contained 50 mM ADA (N-(2-acetamido)iminodiacetic acid monosodium salt) pH 6.5, 1 mM dithiothreitol, 0.006% Triton-X100 and 50 mM...				US Patent US8623865 (2014) BindingDB Entry DOI: 10.7270/Q21R6P6R
					More data for this Ligand-Target Pair
Peptidoglycan D,D-transpeptidase MrdA (Escherichia coli)	BDBM50512949 (CHEMBL4470489) Show SMILES [Na;v0+].[#8-]S(=O)(=O)[#8]-[#7]-1-[#6]-2-[#6]-[#7](-[#6]-[#6]=[#6]-2-c2cnoc2)-[#6]-1=O |c:10| Show InChI InChI=1S/C9H9N3O6S.Na/c13-9-11-2-1-7(6-3-10-17-5-6)8(4-11)12(9)18-19(14,15)16;/h1,3,5,8H,2,4H2,(H,14,15,16);/q;+1/p-1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Mutabilis Curated by ChEMBL					Assay Description Inhibition of bocillin-FL binding to Escherichia coli K12 NusA-fused/His6-tagged PBP2 (57 to 615 residues) expressed in Escherichia coli BL21(DE3) pr...				J Med Chem 62: 4742-4754 (2019) Article DOI: 10.1021/acs.jmedchem.9b00338 BindingDB Entry DOI: 10.7270/Q2CZ3BG7
					More data for this Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A (Homo sapiens (Human))	BDBM50151592 (1N-(3-dimethylaminopropyl)-4-[8''-chloro-2''-oxosp...) Show SMILES CN(C)CCCNC(=O)c1ccc(cc1)-c1cc(Cl)c2NC(=O)NC3(CCCCC3)c2c1 Show InChI InChI=1S/C25H31ClN4O2/c1-30(2)14-6-13-27-23(31)18-9-7-17(8-10-18)19-15-20-22(21(26)16-19)28-24(32)29-25(20)11-4-3-5-12-25/h7-10,15-16H,3-6,11-14H2,1-2H3,(H,27,31)(H2,28,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of human Phosphodiesterase 7A1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 14: 4623-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.011 BindingDB Entry DOI: 10.7270/Q2ZG6RQX
					More data for this Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A (Homo sapiens (Human))	BDBM50151594 (4-[8''-chloro-2''-oxospiro[cyclohexane-1,4''-(1'',...) Show SMILES NC(=O)c1ccc(cc1)-c1cc(Cl)c2NC(=O)NC3(CCCCC3)c2c1 Show InChI InChI=1S/C20H20ClN3O2/c21-16-11-14(12-4-6-13(7-5-12)18(22)25)10-15-17(16)23-19(26)24-20(15)8-2-1-3-9-20/h4-7,10-11H,1-3,8-9H2,(H2,22,25)(H2,23,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of human Phosphodiesterase 7A1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 14: 4623-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.011 BindingDB Entry DOI: 10.7270/Q2ZG6RQX
					More data for this Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A (Homo sapiens (Human))	BDBM50151572 (7-{5-[(Z)-Cyclohexylimino]-4-methyl-4,5-dihydro-[1...) Show SMILES Cn1nc(s\c1=N/C1CCCCC1)-c1ccc2c(N)ncnc2c1 Show InChI InChI=1S/C17H20N6S/c1-23-17(21-12-5-3-2-4-6-12)24-16(22-23)11-7-8-13-14(9-11)19-10-20-15(13)18/h7-10,12H,2-6H2,1H3,(H2,18,19,20)/b21-17-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human Phosphodiesterase 7A1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 14: 4607-13 (2004) Article DOI: 10.1016/j.bmcl.2004.07.008 BindingDB Entry DOI: 10.7270/Q2377855
					More data for this Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A (Homo sapiens (Human))	BDBM50151598 (1N-(2-dimethylaminoethyl)-4-[8''-chloro-2''-oxospi...) Show SMILES CN(C)CCNC(=O)c1ccc(cc1)-c1cc(Cl)c2NC(=O)NC3(CCCCC3)c2c1 Show InChI InChI=1S/C24H29ClN4O2/c1-29(2)13-12-26-22(30)17-8-6-16(7-9-17)18-14-19-21(20(25)15-18)27-23(31)28-24(19)10-4-3-5-11-24/h6-9,14-15H,3-5,10-13H2,1-2H3,(H,26,30)(H2,27,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of human Phosphodiesterase 7A1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 14: 4623-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.011 BindingDB Entry DOI: 10.7270/Q2ZG6RQX
					More data for this Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A (Homo sapiens (Human))	BDBM50151538 (2-Chloro-5-{5-[(Z)-cyclohexylimino]-4-methyl-4,5-d...) Show SMILES CCNS(=O)(=O)c1cc(ccc1Cl)-c1nn(C)\c(=N\C2CCCCC2)s1 Show InChI InChI=1S/C17H23ClN4O2S2/c1-3-19-26(23,24)15-11-12(9-10-14(15)18)16-21-22(2)17(25-16)20-13-7-5-4-6-8-13/h9-11,13,19H,3-8H2,1-2H3/b20-17-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human Phosphodiesterase 7A1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 14: 4607-13 (2004) Article DOI: 10.1016/j.bmcl.2004.07.008 BindingDB Entry DOI: 10.7270/Q2377855
					More data for this Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A (Homo sapiens (Human))	BDBM50151602 (1N-(2-dimethylaminoethyl)-3-[8''-chloro-2''-oxospi...) Show SMILES CN(C)CCNC(=O)c1cccc(c1)-c1cc(Cl)c2NC(=O)NC3(CCCCC3)c2c1 Show InChI InChI=1S/C24H29ClN4O2/c1-29(2)12-11-26-22(30)17-8-6-7-16(13-17)18-14-19-21(20(25)15-18)27-23(31)28-24(19)9-4-3-5-10-24/h6-8,13-15H,3-5,9-12H2,1-2H3,(H,26,30)(H2,27,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of human Phosphodiesterase 7A1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 14: 4623-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.011 BindingDB Entry DOI: 10.7270/Q2ZG6RQX
					More data for this Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A (Homo sapiens (Human))	BDBM50151631 (2-[8''-chloro-2''-oxospiro[cyclohexane-1,4''-(1'',...) Show SMILES Clc1ccc(OCC#N)c2c1NC(=O)NC21CCCCC1 Show InChI InChI=1S/C15H16ClN3O2/c16-10-4-5-11(21-9-8-17)12-13(10)18-14(20)19-15(12)6-2-1-3-7-15/h4-5H,1-3,6-7,9H2,(H2,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human PDE7A1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 14: 4627-31 (2004) Article DOI: 10.1016/j.bmcl.2004.07.010 BindingDB Entry DOI: 10.7270/Q2TT4QDX
					More data for this Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A (Homo sapiens (Human))	BDBM50151597 (3-[8''-chloro-2''-oxospiro[cyclohexane-1,4''-(1'',...) Show SMILES OC(=O)c1cccc(c1)-c1cc(Cl)c2NC(=O)NC3(CCCCC3)c2c1 Show InChI InChI=1S/C20H19ClN2O3/c21-16-11-14(12-5-4-6-13(9-12)18(24)25)10-15-17(16)22-19(26)23-20(15)7-2-1-3-8-20/h4-6,9-11H,1-3,7-8H2,(H,24,25)(H2,22,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of human Phosphodiesterase 7A1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 14: 4623-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.011 BindingDB Entry DOI: 10.7270/Q2ZG6RQX
					More data for this Ligand-Target Pair
Peptidoglycan D,D-transpeptidase MrdA (Escherichia coli)	BDBM50512948 (CHEMBL4476279) Show SMILES [Na;v0+].[#8-]S(=O)(=O)[#8]-[#7]-1-[#6]-2-[#6]-[#7](-[#6]-[#6]=[#6]-2-c2cnco2)-[#6]-1=O |c:10| Show InChI InChI=1S/C9H9N3O6S.Na/c13-9-11-2-1-6(8-3-10-5-17-8)7(4-11)12(9)18-19(14,15)16;/h1,3,5,7H,2,4H2,(H,14,15,16);/q;+1/p-1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Mutabilis Curated by ChEMBL					Assay Description Inhibition of bocillin-FL binding to Escherichia coli K12 NusA-fused/His6-tagged PBP2 (57 to 615 residues) expressed in Escherichia coli BL21(DE3) pr...				J Med Chem 62: 4742-4754 (2019) Article DOI: 10.1021/acs.jmedchem.9b00338 BindingDB Entry DOI: 10.7270/Q2CZ3BG7
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50399405 (CHEMBL2178286 | US8623865, 2) Show SMILES CCc1ccc(Oc2ccc(cc2F)C(=O)N2CCNC(=O)C2)c(O)c1 Show InChI InChI=1S/C19H19FN2O4/c1-2-12-3-5-17(15(23)9-12)26-16-6-4-13(10-14(16)20)19(25)22-8-7-21-18(24)11-22/h3-6,9-10,23H,2,7-8,11H2,1H3,(H,21,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Mutabilis Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus recombinant FabI using trans-2-octenoyl N-acetylcysteamine thioester as substrate preincubated for 60 mins				J Med Chem 55: 9914-28 (2012) Article DOI: 10.1021/jm301113w BindingDB Entry DOI: 10.7270/Q2H99699
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50399405 (CHEMBL2178286 | US8623865, 2) Show SMILES CCc1ccc(Oc2ccc(cc2F)C(=O)N2CCNC(=O)C2)c(O)c1 Show InChI InChI=1S/C19H19FN2O4/c1-2-12-3-5-17(15(23)9-12)26-16-6-4-13(10-14(16)20)19(25)22-8-7-21-18(24)11-22/h3-6,9-10,23H,2,7-8,11H2,1H3,(H,21,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	29	n/a	n/a	n/a	n/a	6.5	n/a
Fab Pharma S.A.S. US Patent					Assay Description The assay buffer AB contained 50 mM ADA (N-(2-acetamido)iminodiacetic acid monosodium salt) pH 6.5, 1 mM dithiothreitol, 0.006% Triton-X100 and 50 mM...				US Patent US8623865 (2014) BindingDB Entry DOI: 10.7270/Q21R6P6R
					More data for this Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A (Homo sapiens (Human))	BDBM50151623 (8''-chloro-6''-(4-pyridyl)spiro[cyclohexane-1,4''-...) Show SMILES Clc1cc(cc2c1NC(=O)NC21CCCCC1)-c1ccncc1 Show InChI InChI=1S/C18H18ClN3O/c19-15-11-13(12-4-8-20-9-5-12)10-14-16(15)21-17(23)22-18(14)6-2-1-3-7-18/h4-5,8-11H,1-3,6-7H2,(H2,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of human Phosphodiesterase 7A1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 14: 4623-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.011 BindingDB Entry DOI: 10.7270/Q2ZG6RQX
					More data for this Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A (Homo sapiens (Human))	BDBM50151527 (4-{5-[(Z)-Cyclohexylimino]-4-methyl-4,5-dihydro-[1...) Show SMILES Cn1nc(s\c1=N/C1CCCCC1)-c1ccc(cc1)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C22H31N5O2S/c1-26-22(24-19-5-3-2-4-6-19)30-21(25-26)18-9-7-17(8-10-18)20(28)23-11-12-27-13-15-29-16-14-27/h7-10,19H,2-6,11-16H2,1H3,(H,23,28)/b24-22-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human Phosphodiesterase 7A1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 14: 4607-13 (2004) Article DOI: 10.1016/j.bmcl.2004.07.008 BindingDB Entry DOI: 10.7270/Q2377855
					More data for this Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A (Homo sapiens (Human))	BDBM50151645 (8''-chloro-5''-[2-(1,4-oxazinan-4-yl)ethoxy]spiro[...) Show SMILES Clc1ccc(OCCN2CCOCC2)c2c1NC(=O)NC21CCCCC1 Show InChI InChI=1S/C19H26ClN3O3/c20-14-4-5-15(26-13-10-23-8-11-25-12-9-23)16-17(14)21-18(24)22-19(16)6-2-1-3-7-19/h4-5H,1-3,6-13H2,(H2,21,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human PDE7A1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 14: 4627-31 (2004) Article DOI: 10.1016/j.bmcl.2004.07.010 BindingDB Entry DOI: 10.7270/Q2TT4QDX
					More data for this Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A (Homo sapiens (Human))	BDBM50151599 (8''-chloro-6''-(2-pyridyl)spiro[cyclohexane-1,4''-...) Show SMILES Clc1cc(cc2c1NC(=O)NC21CCCCC1)-c1ccccn1 Show InChI InChI=1S/C18H18ClN3O/c19-14-11-12(15-6-2-5-9-20-15)10-13-16(14)21-17(23)22-18(13)7-3-1-4-8-18/h2,5-6,9-11H,1,3-4,7-8H2,(H2,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of human Phosphodiesterase 7A1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 14: 4623-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.011 BindingDB Entry DOI: 10.7270/Q2ZG6RQX
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50399410 (CHEMBL2178305) Show SMILES CCc1cc(O)c(Oc2ccc(cc2F)C#N)cc1F Show InChI InChI=1S/C15H11F2NO2/c1-2-10-6-13(19)15(7-11(10)16)20-14-4-3-9(8-18)5-12(14)17/h3-7,19H,2H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Mutabilis Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus recombinant FabI using trans-2-octenoyl N-acetylcysteamine thioester as substrate preincubated for 60 mins				J Med Chem 55: 9914-28 (2012) Article DOI: 10.1021/jm301113w BindingDB Entry DOI: 10.7270/Q2H99699
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50399412 (CHEMBL2178303 | PT411) Show SMILES CCc1cc(O)c(Oc2ccccc2)cc1F Show InChI InChI=1S/C14H13FO2/c1-2-10-8-13(16)14(9-12(10)15)17-11-6-4-3-5-7-11/h3-9,16H,2H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Mutabilis Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus recombinant FabI using trans-2-octenoyl N-acetylcysteamine thioester as substrate preincubated for 60 mins				J Med Chem 55: 9914-28 (2012) Article DOI: 10.1021/jm301113w BindingDB Entry DOI: 10.7270/Q2H99699
					More data for this Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A (Homo sapiens (Human))	BDBM50151641 (2-[8''-chloro-2''-oxospiro[cyclohexane-1,4''-(1'',...) Show SMILES OC(=O)COc1ccc(Cl)c2NC(=O)NC3(CCCCC3)c12 Show InChI InChI=1S/C15H17ClN2O4/c16-9-4-5-10(22-8-11(19)20)12-13(9)17-14(21)18-15(12)6-2-1-3-7-15/h4-5H,1-3,6-8H2,(H,19,20)(H2,17,18,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human PDE7A1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 14: 4627-31 (2004) Article DOI: 10.1016/j.bmcl.2004.07.010 BindingDB Entry DOI: 10.7270/Q2TT4QDX
					More data for this Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A (Homo sapiens (Human))	BDBM50151630 (2-{2-[8''-chloro-2''-oxospiro[cyclohexane-1,4''-(1...) Show SMILES OC(=O)CNCCOc1ccc(Cl)c2NC(=O)NC3(CCCCC3)c12 Show InChI InChI=1S/C17H22ClN3O4/c18-11-4-5-12(25-9-8-19-10-13(22)23)14-15(11)20-16(24)21-17(14)6-2-1-3-7-17/h4-5,19H,1-3,6-10H2,(H,22,23)(H2,20,21,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human PDE7A1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 14: 4627-31 (2004) Article DOI: 10.1016/j.bmcl.2004.07.010 BindingDB Entry DOI: 10.7270/Q2TT4QDX
					More data for this Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A (Homo sapiens (Human))	BDBM50151604 (3-[8''-chloro-2''-oxospiro[cyclohexane-1,4''-(1'',...) Show SMILES CN1CCN(CC1)C(=O)c1cccc(c1)-c1cc(Cl)c2NC(=O)NC3(CCCCC3)c2c1 Show InChI InChI=1S/C25H29ClN4O2/c1-29-10-12-30(13-11-29)23(31)18-7-5-6-17(14-18)19-15-20-22(21(26)16-19)27-24(32)28-25(20)8-3-2-4-9-25/h5-7,14-16H,2-4,8-13H2,1H3,(H2,27,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human Phosphodiesterase 7A1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 14: 4623-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.011 BindingDB Entry DOI: 10.7270/Q2ZG6RQX
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50399409 (CHEMBL2178282) Show SMILES CCc1ccc(Oc2ccc(cc2)C(=O)CCCO)c(O)c1 Show InChI InChI=1S/C18H20O4/c1-2-13-5-10-18(17(21)12-13)22-15-8-6-14(7-9-15)16(20)4-3-11-19/h5-10,12,19,21H,2-4,11H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Mutabilis Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus recombinant FabI using trans-2-octenoyl N-acetylcysteamine thioester as substrate preincubated for 60 mins				J Med Chem 55: 9914-28 (2012) Article DOI: 10.1021/jm301113w BindingDB Entry DOI: 10.7270/Q2H99699
					More data for this Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A (Homo sapiens (Human))	BDBM50151647 (8''-chloro-5''-(2-hydroxyethoxy)spiro[cyclohexane-...) Show SMILES OCCOc1ccc(Cl)c2NC(=O)NC3(CCCCC3)c12 Show InChI InChI=1S/C15H19ClN2O3/c16-10-4-5-11(21-9-8-19)12-13(10)17-14(20)18-15(12)6-2-1-3-7-15/h4-5,19H,1-3,6-9H2,(H2,17,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human PDE7A1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 14: 4627-31 (2004) Article DOI: 10.1016/j.bmcl.2004.07.010 BindingDB Entry DOI: 10.7270/Q2TT4QDX
					More data for this Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A (Homo sapiens (Human))	BDBM50151610 (8''-chloro-6''-(3-pyridyl)spiro[cyclohexane-1,4''-...) Show SMILES Clc1cc(cc2c1NC(=O)NC21CCCCC1)-c1cccnc1 Show InChI InChI=1S/C18H18ClN3O/c19-15-10-13(12-5-4-8-20-11-12)9-14-16(15)21-17(23)22-18(14)6-2-1-3-7-18/h4-5,8-11H,1-3,6-7H2,(H2,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description In vitro inhibition of human Phosphodiesterase 7A1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 14: 4623-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.011 BindingDB Entry DOI: 10.7270/Q2ZG6RQX
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (Staphylococcus aureus)	BDBM50399402 (CHEMBL2178289) Show SMILES CCc1cc(O)c(Oc2cccnc2N)cc1F Show InChI InChI=1S/C13H13FN2O2/c1-2-8-6-10(17)12(7-9(8)14)18-11-4-3-5-16-13(11)15/h3-7,17H,2H2,1H3,(H2,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Mutabilis Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus recombinant FabI using trans-2-octenoyl N-acetylcysteamine thioester as substrate preincubated for 60 mins				J Med Chem 55: 9914-28 (2012) Article DOI: 10.1021/jm301113w BindingDB Entry DOI: 10.7270/Q2H99699
					More data for this Ligand-Target Pair
Macrophage metalloelastase (Homo sapiens (Human))	BDBM50170206 (4-(4'-Acetyl-biphenyl-4-yl)-thiophene-2-carboxylic...) Show SMILES CC(=O)c1ccc(cc1)-c1ccc(cc1)-c1csc(c1)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C25H26N2O3S/c1-18(28)19-2-4-20(5-3-19)21-6-8-22(9-7-21)23-16-24(31-17-23)25(29)26-10-11-27-12-14-30-15-13-27/h2-9,16-17H,10-15H2,1H3,(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of Matrix metalloprotease-12 in presence of 5 nM acetohydroximate				Bioorg Med Chem Lett 15: 3787-90 (2005) Article DOI: 10.1016/j.bmcl.2005.05.079 BindingDB Entry DOI: 10.7270/Q2736QFM
					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	59	n/a	n/a	n/a	n/a	n/a	n/a
Mutabilis Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus recombinant FabI using trans-2-octenoyl N-acetylcysteamine thioester as substrate preincubated for 60 mins				J Med Chem 55: 9914-28 (2012) Article DOI: 10.1021/jm301113w BindingDB Entry DOI: 10.7270/Q2H99699
					More data for this Ligand-Target Pair				3D Structure (crystal)
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A (Homo sapiens (Human))	BDBM50151607 (8''-bromospiro[cycloheptane-1,4''-(1'',2'',3'',4''...) Show SMILES Brc1cccc2c1NC(=O)NC21CCCCCC1 Show InChI InChI=1S/C14H17BrN2O/c15-11-7-5-6-10-12(11)16-13(18)17-14(10)8-3-1-2-4-9-14/h5-7H,1-4,8-9H2,(H2,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human Phosphodiesterase 7A1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 14: 4623-6 (2004) Article DOI: 10.1016/j.bmcl.2004.07.011 BindingDB Entry DOI: 10.7270/Q2ZG6RQX
					More data for this Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A (Homo sapiens (Human))	BDBM50151560 (4-{5-[(Z)-Cyclohexylimino]-4-methyl-4,5-dihydro-[1...) Show SMILES CN(C)CCNC(=O)c1ccc(cc1)-c1nn(C)\c(=N\C2CCCCC2)s1 Show InChI InChI=1S/C20H29N5OS/c1-24(2)14-13-21-18(26)15-9-11-16(12-10-15)19-23-25(3)20(27-19)22-17-7-5-4-6-8-17/h9-12,17H,4-8,13-14H2,1-3H3,(H,21,26)/b22-20-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human Phosphodiesterase 7A1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 14: 4607-13 (2004) Article DOI: 10.1016/j.bmcl.2004.07.008 BindingDB Entry DOI: 10.7270/Q2377855
					More data for this Ligand-Target Pair

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