Compile Data Set for Download or QSAR

Found 523 hits with Last Name = 'medina' and Initial = 'jr'   

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
Peptide deformylase (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50383996 (CHEMBL2032134) Show SMILES ON(C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)NC1CCCC1)C=O |r| Show InChI InChI=1S/C21H34N4O5/c26-14-24(30)13-16(12-15-6-1-2-7-15)20(28)25-11-5-10-18(25)19(27)23-21(29)22-17-8-3-4-9-17/h14-18,30H,1-13H2,(H2,22,23,27,29)/t16-,18+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled ass...				Bioorg Med Chem Lett 22: 4028-32 (2012) Article DOI: 10.1016/j.bmcl.2012.04.086 BindingDB Entry DOI: 10.7270/Q2K64K3V
					More data for this Ligand-Target Pair
Peptide deformylase (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50383999 (CHEMBL2032137) Show SMILES ON(C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)NCCc1ccccc1)C=O |r| Show InChI InChI=1S/C24H34N4O5/c29-17-27(33)16-20(15-19-9-4-5-10-19)23(31)28-14-6-11-21(28)22(30)26-24(32)25-13-12-18-7-2-1-3-8-18/h1-3,7-8,17,19-21,33H,4-6,9-16H2,(H2,25,26,30,32)/t20-,21+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled ass...				Bioorg Med Chem Lett 22: 4028-32 (2012) Article DOI: 10.1016/j.bmcl.2012.04.086 BindingDB Entry DOI: 10.7270/Q2K64K3V
					More data for this Ligand-Target Pair
Peptide deformylase (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50383966 (CHEMBL2032148) Show SMILES ON(C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)NCCc1cnc[nH]1)C=O |r| Show InChI InChI=1S/C21H32N6O5/c28-14-26(32)12-16(10-15-4-1-2-5-15)20(30)27-9-3-6-18(27)19(29)25-21(31)23-8-7-17-11-22-13-24-17/h11,13-16,18,32H,1-10,12H2,(H,22,24)(H2,23,25,29,31)/t16-,18+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.150	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled ass...				Bioorg Med Chem Lett 22: 4028-32 (2012) Article DOI: 10.1016/j.bmcl.2012.04.086 BindingDB Entry DOI: 10.7270/Q2K64K3V
					More data for this Ligand-Target Pair
Peptide deformylase (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50383998 (CHEMBL2032136) Show SMILES ON(C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)NCc1ccccc1)C=O |r| Show InChI InChI=1S/C23H32N4O5/c28-16-26(32)15-19(13-17-7-4-5-8-17)22(30)27-12-6-11-20(27)21(29)25-23(31)24-14-18-9-2-1-3-10-18/h1-3,9-10,16-17,19-20,32H,4-8,11-15H2,(H2,24,25,29,31)/t19-,20+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled ass...				Bioorg Med Chem Lett 22: 4028-32 (2012) Article DOI: 10.1016/j.bmcl.2012.04.086 BindingDB Entry DOI: 10.7270/Q2K64K3V
					More data for this Ligand-Target Pair
Peptide deformylase (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50384000 (CHEMBL2032138) Show SMILES ON(C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)NCCCc1ccccc1)C=O |r| Show InChI InChI=1S/C25H36N4O5/c30-18-28(34)17-21(16-20-10-4-5-11-20)24(32)29-15-7-13-22(29)23(31)27-25(33)26-14-6-12-19-8-2-1-3-9-19/h1-3,8-9,18,20-22,34H,4-7,10-17H2,(H2,26,27,31,33)/t21-,22+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled ass...				Bioorg Med Chem Lett 22: 4028-32 (2012) Article DOI: 10.1016/j.bmcl.2012.04.086 BindingDB Entry DOI: 10.7270/Q2K64K3V
					More data for this Ligand-Target Pair
Peptide deformylase (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50383997 (CHEMBL2032135) Show SMILES ON(C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)NC1CCCCC1)C=O |r| Show InChI InChI=1S/C22H36N4O5/c27-15-25(31)14-17(13-16-7-4-5-8-16)21(29)26-12-6-11-19(26)20(28)24-22(30)23-18-9-2-1-3-10-18/h15-19,31H,1-14H2,(H2,23,24,28,30)/t17-,19+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled ass...				Bioorg Med Chem Lett 22: 4028-32 (2012) Article DOI: 10.1016/j.bmcl.2012.04.086 BindingDB Entry DOI: 10.7270/Q2K64K3V
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human))	BDBM50396532 (CHEMBL2171126) Show SMILES Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cc(F)cc(F)c2F)c2c(N)ncnc12 Show InChI InChI=1S/C23H18F3N5O/c1-30-10-16(20-22(27)28-11-29-23(20)30)12-2-3-18-13(6-12)4-5-31(18)19(32)8-14-7-15(24)9-17(25)21(14)26/h2-3,6-7,9-11H,4-5,8H2,1H3,(H2,27,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibition of GST tagged PERK cytoplasmic domain mediated EIF2alpha phosphorylation				J Med Chem 55: 7193-207 (2012) Article DOI: 10.1021/jm300713s BindingDB Entry DOI: 10.7270/Q2222VWP
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human))	BDBM50396540 (CHEMBL2171143) Show SMILES Cc1ccccc1CC(=O)N1CCc2cc(ccc12)-c1cn(C)c2ncnc(N)c12 Show InChI InChI=1S/C24H23N5O/c1-15-5-3-4-6-16(15)12-21(30)29-10-9-18-11-17(7-8-20(18)29)19-13-28(2)24-22(19)23(25)26-14-27-24/h3-8,11,13-14H,9-10,12H2,1-2H3,(H2,25,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibition of GST tagged PERK cytoplasmic domain mediated EIF2alpha phosphorylation				J Med Chem 55: 7193-207 (2012) Article DOI: 10.1021/jm300713s BindingDB Entry DOI: 10.7270/Q2222VWP
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human))	BDBM50396542 (CHEMBL2171141) Show SMILES Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(F)c2)c2c(N)ncnc12 Show InChI InChI=1S/C23H20FN5O/c1-28-12-18(21-22(25)26-13-27-23(21)28)15-5-6-19-16(11-15)7-8-29(19)20(30)10-14-3-2-4-17(24)9-14/h2-6,9,11-13H,7-8,10H2,1H3,(H2,25,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibition of GST tagged PERK cytoplasmic domain mediated EIF2alpha phosphorylation				J Med Chem 55: 7193-207 (2012) Article DOI: 10.1021/jm300713s BindingDB Entry DOI: 10.7270/Q2222VWP
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human))	BDBM50396539 (CHEMBL2171144) Show SMILES Cc1cccc(CC(=O)N2CCc3cc(ccc23)-c2cn(C)c3ncnc(N)c23)c1 Show InChI InChI=1S/C24H23N5O/c1-15-4-3-5-16(10-15)11-21(30)29-9-8-18-12-17(6-7-20(18)29)19-13-28(2)24-22(19)23(25)26-14-27-24/h3-7,10,12-14H,8-9,11H2,1-2H3,(H2,25,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibition of GST tagged PERK cytoplasmic domain mediated EIF2alpha phosphorylation				J Med Chem 55: 7193-207 (2012) Article DOI: 10.1021/jm300713s BindingDB Entry DOI: 10.7270/Q2222VWP
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human))	BDBM50396536 (CHEMBL2171122) Show SMILES Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(Cl)c2)c2c(N)ncnc12 Show InChI InChI=1S/C23H20ClN5O/c1-28-12-18(21-22(25)26-13-27-23(21)28)15-5-6-19-16(11-15)7-8-29(19)20(30)10-14-3-2-4-17(24)9-14/h2-6,9,11-13H,7-8,10H2,1H3,(H2,25,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibition of GST tagged PERK cytoplasmic domain mediated EIF2alpha phosphorylation				J Med Chem 55: 7193-207 (2012) Article DOI: 10.1021/jm300713s BindingDB Entry DOI: 10.7270/Q2222VWP
					More data for this Ligand-Target Pair
Peptide deformylase (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50383994 (CHEMBL2032132) Show SMILES CC(C)(C)NC(=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1CCCC1)CN(O)C=O |r| Show InChI InChI=1S/C20H34N4O5/c1-20(2,3)22-19(28)21-17(26)16-9-6-10-24(16)18(27)15(12-23(29)13-25)11-14-7-4-5-8-14/h13-16,29H,4-12H2,1-3H3,(H2,21,22,26,28)/t15-,16+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled ass...				Bioorg Med Chem Lett 22: 4028-32 (2012) Article DOI: 10.1016/j.bmcl.2012.04.086 BindingDB Entry DOI: 10.7270/Q2K64K3V
					More data for this Ligand-Target Pair
Peptide deformylase (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50383987 (CHEMBL2032125) Show SMILES ON(C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)OC1CCCC1)C=O |r| Show InChI InChI=1S/C21H33N3O6/c25-14-23(29)13-16(12-15-6-1-2-7-15)20(27)24-11-5-10-18(24)19(26)22-21(28)30-17-8-3-4-9-17/h14-18,29H,1-13H2,(H,22,26,28)/t16-,18+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled ass...				Bioorg Med Chem Lett 22: 4028-32 (2012) Article DOI: 10.1016/j.bmcl.2012.04.086 BindingDB Entry DOI: 10.7270/Q2K64K3V
					More data for this Ligand-Target Pair
Peptide deformylase (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50383982 (CHEMBL2032119) Show SMILES ON(C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)c1ccccc1)C=O |r| Show InChI InChI=1S/C22H29N3O5/c26-15-24(30)14-18(13-16-7-4-5-8-16)22(29)25-12-6-11-19(25)21(28)23-20(27)17-9-2-1-3-10-17/h1-3,9-10,15-16,18-19,30H,4-8,11-14H2,(H,23,27,28)/t18-,19+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled ass...				Bioorg Med Chem Lett 22: 4028-32 (2012) Article DOI: 10.1016/j.bmcl.2012.04.086 BindingDB Entry DOI: 10.7270/Q2K64K3V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptide deformylase (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50383988 (CHEMBL2032126) Show SMILES ON(C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)OC1CCCCC1)C=O |r| Show InChI InChI=1S/C22H35N3O6/c26-15-24(30)14-17(13-16-7-4-5-8-16)21(28)25-12-6-11-19(25)20(27)23-22(29)31-18-9-2-1-3-10-18/h15-19,30H,1-14H2,(H,23,27,29)/t17-,19+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled ass...				Bioorg Med Chem Lett 22: 4028-32 (2012) Article DOI: 10.1016/j.bmcl.2012.04.086 BindingDB Entry DOI: 10.7270/Q2K64K3V
					More data for this Ligand-Target Pair
Peptide deformylase (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50383995 (CHEMBL2032133) Show SMILES ON(C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)NC1CCC1)C=O |r| Show InChI InChI=1S/C20H32N4O5/c25-13-23(29)12-15(11-14-5-1-2-6-14)19(27)24-10-4-9-17(24)18(26)22-20(28)21-16-7-3-8-16/h13-17,29H,1-12H2,(H2,21,22,26,28)/t15-,17+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled ass...				Bioorg Med Chem Lett 22: 4028-32 (2012) Article DOI: 10.1016/j.bmcl.2012.04.086 BindingDB Entry DOI: 10.7270/Q2K64K3V
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human))	BDBM50396533 (CHEMBL2171125) Show SMILES Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cc(F)cc(c2)C(F)(F)F)c2c(N)ncnc12 Show InChI InChI=1S/C24H19F4N5O/c1-32-11-18(21-22(29)30-12-31-23(21)32)14-2-3-19-15(9-14)4-5-33(19)20(34)8-13-6-16(24(26,27)28)10-17(25)7-13/h2-3,6-7,9-12H,4-5,8H2,1H3,(H2,29,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibition of GST tagged PERK cytoplasmic domain mediated EIF2alpha phosphorylation				J Med Chem 55: 7193-207 (2012) Article DOI: 10.1021/jm300713s BindingDB Entry DOI: 10.7270/Q2222VWP
					More data for this Ligand-Target Pair
Peptide deformylase (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50383993 (CHEMBL2032131) Show SMILES CC(C)NC(=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1CCCC1)CN(O)C=O |r| Show InChI InChI=1S/C19H32N4O5/c1-13(2)20-19(27)21-17(25)16-8-5-9-23(16)18(26)15(11-22(28)12-24)10-14-6-3-4-7-14/h12-16,28H,3-11H2,1-2H3,(H2,20,21,25,27)/t15-,16+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled ass...				Bioorg Med Chem Lett 22: 4028-32 (2012) Article DOI: 10.1016/j.bmcl.2012.04.086 BindingDB Entry DOI: 10.7270/Q2K64K3V
					More data for this Ligand-Target Pair
Peptide deformylase (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50383968 (CHEMBL2032140) Show SMILES ON(C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)NCCc1ccncc1)C=O |r| Show InChI InChI=1S/C23H33N5O5/c29-16-27(33)15-19(14-18-4-1-2-5-18)22(31)28-13-3-6-20(28)21(30)26-23(32)25-12-9-17-7-10-24-11-8-17/h7-8,10-11,16,18-20,33H,1-6,9,12-15H2,(H2,25,26,30,32)/t19-,20+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled ass...				Bioorg Med Chem Lett 22: 4028-32 (2012) Article DOI: 10.1016/j.bmcl.2012.04.086 BindingDB Entry DOI: 10.7270/Q2K64K3V
					More data for this Ligand-Target Pair
Peptide deformylase (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50384003 (CHEMBL2032142) Show SMILES ON(C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)NCCc1ccccn1)C=O |r| Show InChI InChI=1S/C23H33N5O5/c29-16-27(33)15-18(14-17-6-1-2-7-17)22(31)28-13-5-9-20(28)21(30)26-23(32)25-12-10-19-8-3-4-11-24-19/h3-4,8,11,16-18,20,33H,1-2,5-7,9-10,12-15H2,(H2,25,26,30,32)/t18-,20+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled ass...				Bioorg Med Chem Lett 22: 4028-32 (2012) Article DOI: 10.1016/j.bmcl.2012.04.086 BindingDB Entry DOI: 10.7270/Q2K64K3V
					More data for this Ligand-Target Pair
Peptide deformylase (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50384002 (CHEMBL2032141) Show SMILES ON(C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)NCCc1cccnc1)C=O |r| Show InChI InChI=1S/C23H33N5O5/c29-16-27(33)15-19(13-17-5-1-2-6-17)22(31)28-12-4-8-20(28)21(30)26-23(32)25-11-9-18-7-3-10-24-14-18/h3,7,10,14,16-17,19-20,33H,1-2,4-6,8-9,11-13,15H2,(H2,25,26,30,32)/t19-,20+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.370	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled ass...				Bioorg Med Chem Lett 22: 4028-32 (2012) Article DOI: 10.1016/j.bmcl.2012.04.086 BindingDB Entry DOI: 10.7270/Q2K64K3V
					More data for this Ligand-Target Pair
Peptide deformylase (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50383972 (CHEMBL2032146) Show SMILES NCCNC(=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1CCCC1)CN(O)C=O |r| Show InChI InChI=1S/C18H31N5O5/c19-7-8-20-18(27)21-16(25)15-6-3-9-23(15)17(26)14(11-22(28)12-24)10-13-4-1-2-5-13/h12-15,28H,1-11,19H2,(H2,20,21,25,27)/t14-,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.380	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled ass...				Bioorg Med Chem Lett 22: 4028-32 (2012) Article DOI: 10.1016/j.bmcl.2012.04.086 BindingDB Entry DOI: 10.7270/Q2K64K3V
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human))	BDBM50396544 (CHEMBL2171139) Show SMILES Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cc(F)ccc2F)c2c(N)ncnc12 Show InChI InChI=1S/C23H19F2N5O/c1-29-11-17(21-22(26)27-12-28-23(21)29)13-2-5-19-14(8-13)6-7-30(19)20(31)10-15-9-16(24)3-4-18(15)25/h2-5,8-9,11-12H,6-7,10H2,1H3,(H2,26,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibition of GST tagged PERK cytoplasmic domain mediated EIF2alpha phosphorylation				J Med Chem 55: 7193-207 (2012) Article DOI: 10.1021/jm300713s BindingDB Entry DOI: 10.7270/Q2222VWP
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human))	BDBM50396534 (CHEMBL2171124) Show SMILES Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(c2)C(F)(F)F)c2c(N)ncnc12 Show InChI InChI=1S/C24H20F3N5O/c1-31-12-18(21-22(28)29-13-30-23(21)31)15-5-6-19-16(11-15)7-8-32(19)20(33)10-14-3-2-4-17(9-14)24(25,26)27/h2-6,9,11-13H,7-8,10H2,1H3,(H2,28,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibition of GST tagged PERK cytoplasmic domain mediated EIF2alpha phosphorylation				J Med Chem 55: 7193-207 (2012) Article DOI: 10.1021/jm300713s BindingDB Entry DOI: 10.7270/Q2222VWP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human))	BDBM50396534 (CHEMBL2171124) Show SMILES Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(c2)C(F)(F)F)c2c(N)ncnc12 Show InChI InChI=1S/C24H20F3N5O/c1-31-12-18(21-22(28)29-13-30-23(21)31)15-5-6-19-16(11-15)7-8-32(19)20(33)10-14-3-2-4-17(9-14)24(25,26)27/h2-6,9,11-13H,7-8,10H2,1H3,(H2,28,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibition of GST-tagged PERK cytoplasmic domain (536 to 1116) (unknown origin) assessed as biotinylated His6-tagged EIF2alpha phosphorylation preinc...				ACS Med Chem Lett 4: 964-8 (2013) Article DOI: 10.1021/ml400228e BindingDB Entry DOI: 10.7270/Q24X597X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peptide deformylase (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50383969 (CHEMBL2032143) Show SMILES ON(C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)NCCc1cnccn1)C=O |r| Show InChI InChI=1S/C22H32N6O5/c29-15-27(33)14-17(12-16-4-1-2-5-16)21(31)28-11-3-6-19(28)20(30)26-22(32)25-8-7-18-13-23-9-10-24-18/h9-10,13,15-17,19,33H,1-8,11-12,14H2,(H2,25,26,30,32)/t17-,19+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.410	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled ass...				Bioorg Med Chem Lett 22: 4028-32 (2012) Article DOI: 10.1016/j.bmcl.2012.04.086 BindingDB Entry DOI: 10.7270/Q2K64K3V
					More data for this Ligand-Target Pair
Peptide deformylase (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50383980 (CHEMBL2032117) Show SMILES ON(C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)C1CCCC1)C=O |r| Show InChI InChI=1S/C21H33N3O5/c25-14-23(29)13-17(12-15-6-1-2-7-15)21(28)24-11-5-10-18(24)20(27)22-19(26)16-8-3-4-9-16/h14-18,29H,1-13H2,(H,22,26,27)/t17-,18+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled ass...				Bioorg Med Chem Lett 22: 4028-32 (2012) Article DOI: 10.1016/j.bmcl.2012.04.086 BindingDB Entry DOI: 10.7270/Q2K64K3V
					More data for this Ligand-Target Pair
Peptide deformylase (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50383992 (CHEMBL2032130) Show SMILES CCNC(=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1CCCC1)CN(O)C=O |r| Show InChI InChI=1S/C18H30N4O5/c1-2-19-18(26)20-16(24)15-8-5-9-22(15)17(25)14(11-21(27)12-23)10-13-6-3-4-7-13/h12-15,27H,2-11H2,1H3,(H2,19,20,24,26)/t14-,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.440	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled ass...				Bioorg Med Chem Lett 22: 4028-32 (2012) Article DOI: 10.1016/j.bmcl.2012.04.086 BindingDB Entry DOI: 10.7270/Q2K64K3V
					More data for this Ligand-Target Pair
Peptide deformylase (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50383965 (CHEMBL2032129) Show SMILES CNC(=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1CCCC1)CN(O)C=O |r| Show InChI InChI=1S/C17H28N4O5/c1-18-17(25)19-15(23)14-7-4-8-21(14)16(24)13(10-20(26)11-22)9-12-5-2-3-6-12/h11-14,26H,2-10H2,1H3,(H2,18,19,23,25)/t13-,14+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.460	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled ass...				Bioorg Med Chem Lett 22: 4028-32 (2012) Article DOI: 10.1016/j.bmcl.2012.04.086 BindingDB Entry DOI: 10.7270/Q2K64K3V
					More data for this Ligand-Target Pair
Peptide deformylase (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50383967 (CHEMBL2032122) Show SMILES CC(C)OC(=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1CCCC1)CN(O)C=O |r| Show InChI InChI=1S/C19H31N3O6/c1-13(2)28-19(26)20-17(24)16-8-5-9-22(16)18(25)15(11-21(27)12-23)10-14-6-3-4-7-14/h12-16,27H,3-11H2,1-2H3,(H,20,24,26)/t15-,16+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.480	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled ass...				Bioorg Med Chem Lett 22: 4028-32 (2012) Article DOI: 10.1016/j.bmcl.2012.04.086 BindingDB Entry DOI: 10.7270/Q2K64K3V
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human))	BDBM50396535 (CHEMBL2171123) Show SMILES COc1cccc(CC(=O)N2CCc3cc(ccc23)-c2cn(C)c3ncnc(N)c23)c1 Show InChI InChI=1S/C24H23N5O2/c1-28-13-19(22-23(25)26-14-27-24(22)28)16-6-7-20-17(12-16)8-9-29(20)21(30)11-15-4-3-5-18(10-15)31-2/h3-7,10,12-14H,8-9,11H2,1-2H3,(H2,25,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibition of GST tagged PERK cytoplasmic domain mediated EIF2alpha phosphorylation				J Med Chem 55: 7193-207 (2012) Article DOI: 10.1021/jm300713s BindingDB Entry DOI: 10.7270/Q2222VWP
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human))	BDBM50442165 (CHEMBL2441341) Show SMILES Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(n2)C(F)(F)F)c2c(N)ncnc12 Show InChI InChI=1S/C23H19F3N6O/c1-31-11-16(20-21(27)28-12-29-22(20)31)13-5-6-17-14(9-13)7-8-32(17)19(33)10-15-3-2-4-18(30-15)23(24,25)26/h2-6,9,11-12H,7-8,10H2,1H3,(H2,27,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibition of GST-tagged PERK cytoplasmic domain (536 to 1116) (unknown origin) assessed as biotinylated His6-tagged EIF2alpha phosphorylation preinc...				ACS Med Chem Lett 4: 964-8 (2013) Article DOI: 10.1021/ml400228e BindingDB Entry DOI: 10.7270/Q24X597X
					More data for this Ligand-Target Pair
Peptide deformylase (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50383981 (CHEMBL2032118) Show SMILES ON(C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)C1CCCCC1)C=O |r| Show InChI InChI=1S/C22H35N3O5/c26-15-24(30)14-18(13-16-7-4-5-8-16)22(29)25-12-6-11-19(25)21(28)23-20(27)17-9-2-1-3-10-17/h15-19,30H,1-14H2,(H,23,27,28)/t18-,19+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled ass...				Bioorg Med Chem Lett 22: 4028-32 (2012) Article DOI: 10.1016/j.bmcl.2012.04.086 BindingDB Entry DOI: 10.7270/Q2K64K3V
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human))	BDBM50442162 (CHEMBL2441342) Show SMILES Cn1cc(-c2ccc3N(CCc3c2F)C(=O)Cc2cccc(n2)C(F)(F)F)c2c(N)ncnc12 Show InChI InChI=1S/C23H18F4N6O/c1-32-10-15(19-21(28)29-11-30-22(19)32)13-5-6-16-14(20(13)24)7-8-33(16)18(34)9-12-3-2-4-17(31-12)23(25,26)27/h2-6,10-11H,7-9H2,1H3,(H2,28,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibition of GST-tagged PERK cytoplasmic domain (536 to 1116) (unknown origin) assessed as biotinylated His6-tagged EIF2alpha phosphorylation preinc...				ACS Med Chem Lett 4: 964-8 (2013) Article DOI: 10.1021/ml400228e BindingDB Entry DOI: 10.7270/Q24X597X
					More data for this Ligand-Target Pair
Peptide deformylase (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50383986 (CHEMBL2032124) Show SMILES ON(C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)OC1CCC1)C=O |r| Show InChI InChI=1S/C20H31N3O6/c24-13-22(28)12-15(11-14-5-1-2-6-14)19(26)23-10-4-9-17(23)18(25)21-20(27)29-16-7-3-8-16/h13-17,28H,1-12H2,(H,21,25,27)/t15-,17+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.510	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled ass...				Bioorg Med Chem Lett 22: 4028-32 (2012) Article DOI: 10.1016/j.bmcl.2012.04.086 BindingDB Entry DOI: 10.7270/Q2K64K3V
					More data for this Ligand-Target Pair
Peptide deformylase (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50383985 (CHEMBL2032123) Show SMILES CC(C)(C)OC(=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1CCCC1)CN(O)C=O |r| Show InChI InChI=1S/C20H33N3O6/c1-20(2,3)29-19(27)21-17(25)16-9-6-10-23(16)18(26)15(12-22(28)13-24)11-14-7-4-5-8-14/h13-16,28H,4-12H2,1-3H3,(H,21,25,27)/t15-,16+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.520	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled ass...				Bioorg Med Chem Lett 22: 4028-32 (2012) Article DOI: 10.1016/j.bmcl.2012.04.086 BindingDB Entry DOI: 10.7270/Q2K64K3V
					More data for this Ligand-Target Pair
Peptide deformylase (Staphylococcus aureus)	BDBM50383996 (CHEMBL2032134) Show SMILES ON(C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)NC1CCCC1)C=O |r| Show InChI InChI=1S/C21H34N4O5/c26-14-24(30)13-16(12-15-6-1-2-7-15)20(28)25-11-5-10-18(25)19(27)23-21(29)22-17-8-3-4-9-17/h14-18,30H,1-13H2,(H2,22,23,27,29)/t16-,18+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.520	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay				Bioorg Med Chem Lett 22: 4028-32 (2012) Article DOI: 10.1016/j.bmcl.2012.04.086 BindingDB Entry DOI: 10.7270/Q2K64K3V
					More data for this Ligand-Target Pair
Peptide deformylase (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50383984 (CHEMBL2032121) Show SMILES CCOC(=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1CCCC1)CN(O)C=O |r| Show InChI InChI=1S/C18H29N3O6/c1-2-27-18(25)19-16(23)15-8-5-9-21(15)17(24)14(11-20(26)12-22)10-13-6-3-4-7-13/h12-15,26H,2-11H2,1H3,(H,19,23,25)/t14-,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.540	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled ass...				Bioorg Med Chem Lett 22: 4028-32 (2012) Article DOI: 10.1016/j.bmcl.2012.04.086 BindingDB Entry DOI: 10.7270/Q2K64K3V
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human))	BDBM50396548 (CHEMBL2171135) Show SMILES Nc1ncnc2scc(-c3ccc4N(CCc4c3)C(=O)Cc3cc(F)ccc3F)c12 Show InChI InChI=1S/C22H16F2N4OS/c23-15-2-3-17(24)14(8-15)9-19(29)28-6-5-13-7-12(1-4-18(13)28)16-10-30-22-20(16)21(25)26-11-27-22/h1-4,7-8,10-11H,5-6,9H2,(H2,25,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibition of GST tagged PERK cytoplasmic domain mediated EIF2alpha phosphorylation				J Med Chem 55: 7193-207 (2012) Article DOI: 10.1021/jm300713s BindingDB Entry DOI: 10.7270/Q2222VWP
					More data for this Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM50341250 (CHEMBL1765751 | N-{(3R,5R)-1-[2-Amino-6-(3-amino-1...) Show SMILES C[C@@H]1C[C@H](CN(C1)c1cc(nc(N)n1)-c1ccc2c(N)n[nH]c2c1)N(C)C(=O)CC(C)(C)C |r| Show InChI InChI=1S/C24H34N8O/c1-14-8-16(31(5)21(33)11-24(2,3)4)13-32(12-14)20-10-18(27-23(26)28-20)15-6-7-17-19(9-15)29-30-22(17)25/h6-7,9-10,14,16H,8,11-13H2,1-5H3,(H3,25,29,30)(H2,26,27,28)/t14-,16-/m1/s1	PDB MMDB NCI pathway 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	0.631	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PDK1				J Med Chem 54: 1871-95 (2011) Article DOI: 10.1021/jm101527u BindingDB Entry DOI: 10.7270/Q2HQ406Q
					More data for this Ligand-Target Pair
Peptide deformylase (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50383989 (CHEMBL2032127) Show SMILES ON(C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)OC1CCOCC1)C=O |r| Show InChI InChI=1S/C21H33N3O7/c25-14-23(29)13-16(12-15-4-1-2-5-15)20(27)24-9-3-6-18(24)19(26)22-21(28)31-17-7-10-30-11-8-17/h14-18,29H,1-13H2,(H,22,26,28)/t16-,18+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.660	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled ass...				Bioorg Med Chem Lett 22: 4028-32 (2012) Article DOI: 10.1016/j.bmcl.2012.04.086 BindingDB Entry DOI: 10.7270/Q2K64K3V
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human))	BDBM50396543 (CHEMBL2171140) Show SMILES Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2ccccc2F)c2c(N)ncnc12 Show InChI InChI=1S/C23H20FN5O/c1-28-12-17(21-22(25)26-13-27-23(21)28)14-6-7-19-16(10-14)8-9-29(19)20(30)11-15-4-2-3-5-18(15)24/h2-7,10,12-13H,8-9,11H2,1H3,(H2,25,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibition of GST tagged PERK cytoplasmic domain mediated EIF2alpha phosphorylation				J Med Chem 55: 7193-207 (2012) Article DOI: 10.1021/jm300713s BindingDB Entry DOI: 10.7270/Q2222VWP
					More data for this Ligand-Target Pair
Peptide deformylase (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50383978 (CHEMBL2032115) Show SMILES ON(C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)C1CCC1)C=O |r| Show InChI InChI=1S/C20H31N3O5/c24-13-22(28)12-16(11-14-5-1-2-6-14)20(27)23-10-4-9-17(23)19(26)21-18(25)15-7-3-8-15/h13-17,28H,1-12H2,(H,21,25,26)/t16-,17+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled ass...				Bioorg Med Chem Lett 22: 4028-32 (2012) Article DOI: 10.1016/j.bmcl.2012.04.086 BindingDB Entry DOI: 10.7270/Q2K64K3V
					More data for this Ligand-Target Pair
Peptide deformylase (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50383973 (CHEMBL2032147) Show SMILES NC(=O)CCNC(=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1CCCC1)CN(O)C=O |r| Show InChI InChI=1S/C19H31N5O6/c20-16(26)7-8-21-19(29)22-17(27)15-6-3-9-24(15)18(28)14(11-23(30)12-25)10-13-4-1-2-5-13/h12-15,30H,1-11H2,(H2,20,26)(H2,21,22,27,29)/t14-,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.720	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled ass...				Bioorg Med Chem Lett 22: 4028-32 (2012) Article DOI: 10.1016/j.bmcl.2012.04.086 BindingDB Entry DOI: 10.7270/Q2K64K3V
					More data for this Ligand-Target Pair
Peptide deformylase (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50383971 (CHEMBL2032145) Show SMILES OCCCNC(=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1CCCC1)CN(O)C=O |r| Show InChI InChI=1S/C19H32N4O6/c24-10-4-8-20-19(28)21-17(26)16-7-3-9-23(16)18(27)15(12-22(29)13-25)11-14-5-1-2-6-14/h13-16,24,29H,1-12H2,(H2,20,21,26,28)/t15-,16+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.770	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled ass...				Bioorg Med Chem Lett 22: 4028-32 (2012) Article DOI: 10.1016/j.bmcl.2012.04.086 BindingDB Entry DOI: 10.7270/Q2K64K3V
					More data for this Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1 (Homo sapiens (Human))	BDBM50341249 (1,1-Dimethylethyl{(3R,5R)-1-[2-Amino-6-(3-amino-1H...) Show SMILES CNc1nc(cc(n1)-c1ccc2c(N)n[nH]c2c1)N1C[C@H](C)C[C@H](C1)N(C)C(=O)OC(C)(C)C |r| Show InChI InChI=1S/C24H34N8O2/c1-14-9-16(31(6)23(33)34-24(2,3)4)13-32(12-14)20-11-18(27-22(26-5)28-20)15-7-8-17-19(10-15)29-30-21(17)25/h7-8,10-11,14,16H,9,12-13H2,1-6H3,(H3,25,29,30)(H,26,27,28)/t14-,16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.794	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PDK1				J Med Chem 54: 1871-95 (2011) Article DOI: 10.1021/jm101527u BindingDB Entry DOI: 10.7270/Q2HQ406Q
					More data for this Ligand-Target Pair
Peptide deformylase (Streptococcus pneumoniae serotype 4 (strain ATCC B...)	BDBM50383976 (CHEMBL2032113) Show SMILES CC(C)CC(=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1CCCC1)CN(O)C=O |r| Show InChI InChI=1S/C20H33N3O5/c1-14(2)10-18(25)21-19(26)17-8-5-9-23(17)20(27)16(12-22(28)13-24)11-15-6-3-4-7-15/h13-17,28H,3-12H2,1-2H3,(H,21,25,26)/t16-,17+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled ass...				Bioorg Med Chem Lett 22: 4028-32 (2012) Article DOI: 10.1016/j.bmcl.2012.04.086 BindingDB Entry DOI: 10.7270/Q2K64K3V
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human))	BDBM50442166 (CHEMBL2441340) Show SMILES Cc1cccc(CC(=O)N2CCc3c2ccc(-c2cn(C)c4ncnc(N)c24)c3F)n1 Show InChI InChI=1S/C23H21FN6O/c1-13-4-3-5-14(28-13)10-19(31)30-9-8-16-18(30)7-6-15(21(16)24)17-11-29(2)23-20(17)22(25)26-12-27-23/h3-7,11-12H,8-10H2,1-2H3,(H2,25,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibition of GST-tagged PERK cytoplasmic domain (536 to 1116) (unknown origin) assessed as biotinylated His6-tagged EIF2alpha phosphorylation preinc...				ACS Med Chem Lett 4: 964-8 (2013) Article DOI: 10.1021/ml400228e BindingDB Entry DOI: 10.7270/Q24X597X
					More data for this Ligand-Target Pair
Peptide deformylase (Staphylococcus aureus)	BDBM50383999 (CHEMBL2032137) Show SMILES ON(C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)NCCc1ccccc1)C=O |r| Show InChI InChI=1S/C24H34N4O5/c29-17-27(33)16-20(15-19-9-4-5-10-19)23(31)28-14-6-11-21(28)22(30)26-24(32)25-13-12-18-7-2-1-3-8-18/h1-3,7-8,17,19-21,33H,4-6,9-16H2,(H2,25,26,30,32)/t20-,21+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.860	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus PDF assessed as formate release from fMAS peptide substrate after 20 mins by formate dehydrogenase coupled assay				Bioorg Med Chem Lett 22: 4028-32 (2012) Article DOI: 10.1016/j.bmcl.2012.04.086 BindingDB Entry DOI: 10.7270/Q2K64K3V
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human))	BDBM50396537 (CHEMBL2171121 | D3RKN_50) Show SMILES Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2ccccc2Cl)c2c(N)ncnc12 Show InChI InChI=1S/C23H20ClN5O/c1-28-12-17(21-22(25)26-13-27-23(21)28)14-6-7-19-16(10-14)8-9-29(19)20(30)11-15-4-2-3-5-18(15)24/h2-7,10,12-13H,8-9,11H2,1H3,(H2,25,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Inhibition of GST tagged PERK cytoplasmic domain mediated EIF2alpha phosphorylation				J Med Chem 55: 7193-207 (2012) Article DOI: 10.1021/jm300713s BindingDB Entry DOI: 10.7270/Q2222VWP
					More data for this Ligand-Target Pair

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