Compile Data Set for Download or QSAR

Found 482 hits with Last Name = 'bobko' and Initial = 'ma'   

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
Substance-K receptor (Homo sapiens (Human))	BDBM50030096 ((R)-11-{Hydroxy-[4-methoxy-3-(3-methyl-but-2-enyl)...) Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)CNC(=O)C(NC(=O)CNC(=O)[C@@H](NC(=O)CNC2=O)C(C)C)C(O)c1ccc(OC)c(CC=C(C)C)c1 |wU:34.45,wD:8.9,1.0,(8.93,-3.18,;8.61,-5.02,;7.74,-3.74,;6.26,-4.19,;6.22,-5.74,;7.68,-6.24,;7.15,-7.68,;5.64,-7.37,;7.07,-9.22,;5.54,-9.37,;4.39,-10.64,;2.86,-10.64,;2.39,-12.12,;3.65,-13.01,;3.82,-14.55,;5.22,-15.16,;6.46,-14.25,;6.3,-12.72,;4.88,-12.1,;7.44,-10.72,;8.24,-12.03,;7.07,-13.01,;9.4,-13.05,;10.79,-13.69,;12.33,-13.88,;12.36,-15.42,;13.84,-13.62,;15.21,-12.92,;16.31,-11.85,;17.54,-12.78,;17.06,-10.5,;17.36,-9,;17.21,-7.46,;18.71,-7.09,;16.62,-6.04,;15.64,-4.85,;14.34,-4.02,;14.99,-2.61,;12.86,-3.6,;11.33,-3.63,;9.87,-4.11,;9.16,-2.74,;17.93,-5.24,;17.91,-3.71,;19.28,-5.98,;14.33,-15.08,;15.84,-15.39,;13.31,-16.23,;11.79,-15.92,;10.77,-17.08,;11.25,-18.53,;10.24,-19.69,;8.42,-19.24,;12.77,-18.84,;13.25,-20.3,;14.76,-20.62,;15.25,-22.08,;16.76,-22.39,;14.23,-23.22,;13.79,-17.69,)| Show InChI InChI=1S/C42H54N8O9/c1-23(2)12-13-25-17-26(14-15-32(25)59-5)38(54)37-41(57)46-20-33(51)47-30(18-27-19-43-29-10-7-6-9-28(27)29)42(58)50-16-8-11-31(50)39(55)44-21-34(52)48-36(24(3)4)40(56)45-22-35(53)49-37/h6-7,9-10,12,14-15,17,19,24,30-31,36-38,43,54H,8,11,13,16,18,20-22H2,1-5H3,(H,44,55)(H,45,56)(H,46,57)(H,47,51)(H,48,52)(H,49,53)/t30-,31+,36+,37?,38?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description Displacement of [125I]-NKA substance P binding to human urinary bladder membrane protein (NK2)				J Med Chem 37: 356-63 (1994) BindingDB Entry DOI: 10.7270/Q21N805R
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50030095 ((R)-11-{Hydroxy-[4-methoxy-3-(2-methyl-butyl)-phen...) Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)CNC(=O)C(NC(=O)CNC(=O)[C@@H](NC(=O)CNC2=O)C(C)C)C(O)c1ccc(OC)c(CC(C)CC)c1 Show InChI InChI=1S/C42H56N8O9/c1-6-24(4)16-26-17-25(13-14-32(26)59-5)38(54)37-41(57)46-20-33(51)47-30(18-27-19-43-29-11-8-7-10-28(27)29)42(58)50-15-9-12-31(50)39(55)44-21-34(52)48-36(23(2)3)40(56)45-22-35(53)49-37/h7-8,10-11,13-14,17,19,23-24,30-31,36-38,43,54H,6,9,12,15-16,18,20-22H2,1-5H3,(H,44,55)(H,45,56)(H,46,57)(H,47,51)(H,48,52)(H,49,53)/t24?,30-,31+,36+,37?,38?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description Displacement of [125I]-NKA substance P binding to human urinary bladder membrane protein (NK2)				J Med Chem 37: 356-63 (1994) BindingDB Entry DOI: 10.7270/Q21N805R
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50030095 ((R)-11-{Hydroxy-[4-methoxy-3-(2-methyl-butyl)-phen...) Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)CNC(=O)C(NC(=O)CNC(=O)[C@@H](NC(=O)CNC2=O)C(C)C)C(O)c1ccc(OC)c(CC(C)CC)c1 Show InChI InChI=1S/C42H56N8O9/c1-6-24(4)16-26-17-25(13-14-32(26)59-5)38(54)37-41(57)46-20-33(51)47-30(18-27-19-43-29-11-8-7-10-28(27)29)42(58)50-15-9-12-31(50)39(55)44-21-34(52)48-36(23(2)3)40(56)45-22-35(53)49-37/h7-8,10-11,13-14,17,19,23-24,30-31,36-38,43,54H,6,9,12,15-16,18,20-22H2,1-5H3,(H,44,55)(H,45,56)(H,46,57)(H,47,51)(H,48,52)(H,49,53)/t24?,30-,31+,36+,37?,38?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description Displacement of [125I]- substance P binding to human astrocytoma cells (NK1)				J Med Chem 37: 356-63 (1994) BindingDB Entry DOI: 10.7270/Q21N805R
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50030096 ((R)-11-{Hydroxy-[4-methoxy-3-(3-methyl-but-2-enyl)...) Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)CNC(=O)C(NC(=O)CNC(=O)[C@@H](NC(=O)CNC2=O)C(C)C)C(O)c1ccc(OC)c(CC=C(C)C)c1 |wU:34.45,wD:8.9,1.0,(8.93,-3.18,;8.61,-5.02,;7.74,-3.74,;6.26,-4.19,;6.22,-5.74,;7.68,-6.24,;7.15,-7.68,;5.64,-7.37,;7.07,-9.22,;5.54,-9.37,;4.39,-10.64,;2.86,-10.64,;2.39,-12.12,;3.65,-13.01,;3.82,-14.55,;5.22,-15.16,;6.46,-14.25,;6.3,-12.72,;4.88,-12.1,;7.44,-10.72,;8.24,-12.03,;7.07,-13.01,;9.4,-13.05,;10.79,-13.69,;12.33,-13.88,;12.36,-15.42,;13.84,-13.62,;15.21,-12.92,;16.31,-11.85,;17.54,-12.78,;17.06,-10.5,;17.36,-9,;17.21,-7.46,;18.71,-7.09,;16.62,-6.04,;15.64,-4.85,;14.34,-4.02,;14.99,-2.61,;12.86,-3.6,;11.33,-3.63,;9.87,-4.11,;9.16,-2.74,;17.93,-5.24,;17.91,-3.71,;19.28,-5.98,;14.33,-15.08,;15.84,-15.39,;13.31,-16.23,;11.79,-15.92,;10.77,-17.08,;11.25,-18.53,;10.24,-19.69,;8.42,-19.24,;12.77,-18.84,;13.25,-20.3,;14.76,-20.62,;15.25,-22.08,;16.76,-22.39,;14.23,-23.22,;13.79,-17.69,)| Show InChI InChI=1S/C42H54N8O9/c1-23(2)12-13-25-17-26(14-15-32(25)59-5)38(54)37-41(57)46-20-33(51)47-30(18-27-19-43-29-10-7-6-9-28(27)29)42(58)50-16-8-11-31(50)39(55)44-21-34(52)48-36(24(3)4)40(56)45-22-35(53)49-37/h6-7,9-10,12,14-15,17,19,24,30-31,36-38,43,54H,8,11,13,16,18,20-22H2,1-5H3,(H,44,55)(H,45,56)(H,46,57)(H,47,51)(H,48,52)(H,49,53)/t30-,31+,36+,37?,38?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description Displacement of [125I]- substance P binding to human astrocytoma cells (NK1)				J Med Chem 37: 356-63 (1994) BindingDB Entry DOI: 10.7270/Q21N805R
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50030099 ((R)-5-(1H-Indol-3-ylmethyl)-17-isopropyl-11-[4-met...) Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)CNC(=O)C(Cc1ccc(OC)c(CC(C)CC)c1)NC(=O)CNC(=O)[C@@H](NC(=O)CNC2=O)C(C)C Show InChI InChI=1S/C42H56N8O8/c1-6-25(4)16-27-17-26(13-14-34(27)58-5)18-31-39(54)44-21-36(52)48-32(19-28-20-43-30-11-8-7-10-29(28)30)42(57)50-15-9-12-33(50)40(55)45-23-37(53)49-38(24(2)3)41(56)46-22-35(51)47-31/h7-8,10-11,13-14,17,20,24-25,31-33,38,43H,6,9,12,15-16,18-19,21-23H2,1-5H3,(H,44,54)(H,45,55)(H,46,56)(H,47,51)(H,48,52)(H,49,53)/t25?,31?,32-,33+,38+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description Displacement of [125I]- substance P binding to human astrocytoma cells (NK1)				J Med Chem 37: 356-63 (1994) BindingDB Entry DOI: 10.7270/Q21N805R
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50030092 ((R)-11-{Hydroxy-[4-hydroxy-3-(3-methyl-but-2-enyl)...) Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)CNC(=O)C(NC(=O)CNC(=O)[C@@H](NC(=O)CNC2=O)C(C)C)C(O)c1ccc(O)c(CC=C(C)C)c1 |wU:34.45,wD:8.9,1.0,(8.93,-3.18,;8.61,-5.02,;7.74,-3.74,;6.26,-4.19,;6.22,-5.74,;7.68,-6.24,;7.15,-7.68,;5.64,-7.37,;7.07,-9.22,;5.54,-9.37,;4.39,-10.64,;2.86,-10.64,;2.39,-12.12,;3.65,-13.01,;3.82,-14.55,;5.22,-15.16,;6.46,-14.25,;6.3,-12.72,;4.88,-12.1,;7.44,-10.72,;8.24,-12.03,;7.07,-13.01,;9.4,-13.05,;10.79,-13.69,;12.33,-13.88,;12.36,-15.42,;13.84,-13.62,;15.21,-12.92,;16.31,-11.85,;17.54,-12.78,;17.06,-10.5,;17.36,-9,;17.21,-7.46,;18.71,-7.09,;16.62,-6.04,;15.64,-4.85,;14.34,-4.02,;14.99,-2.61,;12.86,-3.6,;11.33,-3.63,;9.87,-4.11,;9.16,-2.74,;17.93,-5.24,;17.91,-3.71,;19.28,-5.98,;14.33,-15.08,;15.84,-15.39,;13.31,-16.23,;11.79,-15.92,;10.77,-17.08,;11.25,-18.53,;10.24,-19.69,;12.77,-18.84,;13.25,-20.3,;14.76,-20.62,;15.25,-22.08,;16.76,-22.39,;14.23,-23.22,;13.79,-17.69,)| Show InChI InChI=1S/C41H52N8O9/c1-22(2)11-12-24-16-25(13-14-31(24)50)37(54)36-40(57)45-19-32(51)46-29(17-26-18-42-28-9-6-5-8-27(26)28)41(58)49-15-7-10-30(49)38(55)43-20-33(52)47-35(23(3)4)39(56)44-21-34(53)48-36/h5-6,8-9,11,13-14,16,18,23,29-30,35-37,42,50,54H,7,10,12,15,17,19-21H2,1-4H3,(H,43,55)(H,44,56)(H,45,57)(H,46,51)(H,47,52)(H,48,53)/t29-,30+,35+,36?,37?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description Displacement of [125I]-NKA substance P binding to human urinary bladder membrane protein (NK2)				J Med Chem 37: 356-63 (1994) BindingDB Entry DOI: 10.7270/Q21N805R
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50030092 ((R)-11-{Hydroxy-[4-hydroxy-3-(3-methyl-but-2-enyl)...) Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)CNC(=O)C(NC(=O)CNC(=O)[C@@H](NC(=O)CNC2=O)C(C)C)C(O)c1ccc(O)c(CC=C(C)C)c1 |wU:34.45,wD:8.9,1.0,(8.93,-3.18,;8.61,-5.02,;7.74,-3.74,;6.26,-4.19,;6.22,-5.74,;7.68,-6.24,;7.15,-7.68,;5.64,-7.37,;7.07,-9.22,;5.54,-9.37,;4.39,-10.64,;2.86,-10.64,;2.39,-12.12,;3.65,-13.01,;3.82,-14.55,;5.22,-15.16,;6.46,-14.25,;6.3,-12.72,;4.88,-12.1,;7.44,-10.72,;8.24,-12.03,;7.07,-13.01,;9.4,-13.05,;10.79,-13.69,;12.33,-13.88,;12.36,-15.42,;13.84,-13.62,;15.21,-12.92,;16.31,-11.85,;17.54,-12.78,;17.06,-10.5,;17.36,-9,;17.21,-7.46,;18.71,-7.09,;16.62,-6.04,;15.64,-4.85,;14.34,-4.02,;14.99,-2.61,;12.86,-3.6,;11.33,-3.63,;9.87,-4.11,;9.16,-2.74,;17.93,-5.24,;17.91,-3.71,;19.28,-5.98,;14.33,-15.08,;15.84,-15.39,;13.31,-16.23,;11.79,-15.92,;10.77,-17.08,;11.25,-18.53,;10.24,-19.69,;12.77,-18.84,;13.25,-20.3,;14.76,-20.62,;15.25,-22.08,;16.76,-22.39,;14.23,-23.22,;13.79,-17.69,)| Show InChI InChI=1S/C41H52N8O9/c1-22(2)11-12-24-16-25(13-14-31(24)50)37(54)36-40(57)45-19-32(51)46-29(17-26-18-42-28-9-6-5-8-27(26)28)41(58)49-15-7-10-30(49)38(55)43-20-33(52)47-35(23(3)4)39(56)44-21-34(53)48-36/h5-6,8-9,11,13-14,16,18,23,29-30,35-37,42,50,54H,7,10,12,15,17,19-21H2,1-4H3,(H,43,55)(H,44,56)(H,45,57)(H,46,51)(H,47,52)(H,48,53)/t29-,30+,35+,36?,37?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description Displacement of [125I]- substance P binding to human astrocytoma cells (NK1)				J Med Chem 37: 356-63 (1994) BindingDB Entry DOI: 10.7270/Q21N805R
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50030094 ((R)-11-[Hydroxy-(4-methoxy-phenyl)-methyl]-5-(1H-i...) Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)CNC(=O)C(NC(=O)CNC(=O)[C@@H](NC(=O)CNC2=O)C(C)C)C(O)c1ccc(OC)cc1 Show InChI InChI=1S/C37H46N8O9/c1-20(2)31-35(51)40-19-30(48)44-32(33(49)21-10-12-23(54-3)13-11-21)36(52)41-17-28(46)42-26(15-22-16-38-25-8-5-4-7-24(22)25)37(53)45-14-6-9-27(45)34(50)39-18-29(47)43-31/h4-5,7-8,10-13,16,20,26-27,31-33,38,49H,6,9,14-15,17-19H2,1-3H3,(H,39,50)(H,40,51)(H,41,52)(H,42,46)(H,43,47)(H,44,48)/t26-,27+,31+,32?,33?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description Displacement of [125I]-NKA substance P binding to human urinary bladder membrane protein (NK2)				J Med Chem 37: 356-63 (1994) BindingDB Entry DOI: 10.7270/Q21N805R
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50030094 ((R)-11-[Hydroxy-(4-methoxy-phenyl)-methyl]-5-(1H-i...) Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)CNC(=O)C(NC(=O)CNC(=O)[C@@H](NC(=O)CNC2=O)C(C)C)C(O)c1ccc(OC)cc1 Show InChI InChI=1S/C37H46N8O9/c1-20(2)31-35(51)40-19-30(48)44-32(33(49)21-10-12-23(54-3)13-11-21)36(52)41-17-28(46)42-26(15-22-16-38-25-8-5-4-7-24(22)25)37(53)45-14-6-9-27(45)34(50)39-18-29(47)43-31/h4-5,7-8,10-13,16,20,26-27,31-33,38,49H,6,9,14-15,17-19H2,1-3H3,(H,39,50)(H,40,51)(H,41,52)(H,42,46)(H,43,47)(H,44,48)/t26-,27+,31+,32?,33?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description Displacement of [125I]- substance P binding to human astrocytoma cells (NK1)				J Med Chem 37: 356-63 (1994) BindingDB Entry DOI: 10.7270/Q21N805R
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50407271 (CHEMBL2112592) Show SMILES CC(C)[C@@H]1NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)[C@H](Cc2ccc(OC(C)(C)C)cc2)NC(=O)CNC1=O Show InChI InChI=1S/C40H52N8O8/c1-23(2)35-38(54)44-21-32(49)45-29(17-24-12-14-26(15-13-24)56-40(3,4)5)36(52)42-20-33(50)46-30(18-25-19-41-28-10-7-6-9-27(25)28)39(55)48-16-8-11-31(48)37(53)43-22-34(51)47-35/h6-7,9-10,12-15,19,23,29-31,35,41H,8,11,16-18,20-22H2,1-5H3,(H,42,52)(H,43,53)(H,44,54)(H,45,49)(H,46,50)(H,47,51)/t29-,30+,31-,35-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description Displacement of [125I]-NKA substance P binding to human urinary bladder membrane protein (NK2)				J Med Chem 37: 356-63 (1994) BindingDB Entry DOI: 10.7270/Q21N805R
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50407272 (CHEMBL2111789) Show SMILES CC(C)[C@@H]1NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)[C@H](Cc2ccc(OC(C)(C)C)cc2)NC(=O)CNC1=O Show InChI InChI=1S/C40H52N8O8/c1-23(2)35-38(54)44-21-32(49)45-29(17-24-12-14-26(15-13-24)56-40(3,4)5)36(52)42-20-33(50)46-30(18-25-19-41-28-10-7-6-9-27(25)28)39(55)48-16-8-11-31(48)37(53)43-22-34(51)47-35/h6-7,9-10,12-15,19,23,29-31,35,41H,8,11,16-18,20-22H2,1-5H3,(H,42,52)(H,43,53)(H,44,54)(H,45,49)(H,46,50)(H,47,51)/t29-,30-,31-,35-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description Displacement of [125I]-NKA substance P binding to human urinary bladder membrane protein (NK2)				J Med Chem 37: 356-63 (1994) BindingDB Entry DOI: 10.7270/Q21N805R
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50407271 (CHEMBL2112592) Show SMILES CC(C)[C@@H]1NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)[C@H](Cc2ccc(OC(C)(C)C)cc2)NC(=O)CNC1=O Show InChI InChI=1S/C40H52N8O8/c1-23(2)35-38(54)44-21-32(49)45-29(17-24-12-14-26(15-13-24)56-40(3,4)5)36(52)42-20-33(50)46-30(18-25-19-41-28-10-7-6-9-27(25)28)39(55)48-16-8-11-31(48)37(53)43-22-34(51)47-35/h6-7,9-10,12-15,19,23,29-31,35,41H,8,11,16-18,20-22H2,1-5H3,(H,42,52)(H,43,53)(H,44,54)(H,45,49)(H,46,50)(H,47,51)/t29-,30+,31-,35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description Displacement of [125I]- substance P binding to human astrocytoma cells (NK1)				J Med Chem 37: 356-63 (1994) BindingDB Entry DOI: 10.7270/Q21N805R
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50030091 ((R)-5-(1H-Indol-3-ylmethyl)-17-isopropyl-11-(4-met...) Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)CNC(=O)C(Cc1ccc(OC)cc1)NC(=O)CNC(=O)[C@@H](NC(=O)CNC2=O)C(C)C Show InChI InChI=1S/C37H46N8O8/c1-21(2)33-36(51)41-19-30(46)42-27(15-22-10-12-24(53-3)13-11-22)34(49)39-18-31(47)43-28(16-23-17-38-26-8-5-4-7-25(23)26)37(52)45-14-6-9-29(45)35(50)40-20-32(48)44-33/h4-5,7-8,10-13,17,21,27-29,33,38H,6,9,14-16,18-20H2,1-3H3,(H,39,49)(H,40,50)(H,41,51)(H,42,46)(H,43,47)(H,44,48)/t27?,28-,29+,33+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description Displacement of [125I]- substance P binding to human astrocytoma cells (NK1)				J Med Chem 37: 356-63 (1994) BindingDB Entry DOI: 10.7270/Q21N805R
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50030091 ((R)-5-(1H-Indol-3-ylmethyl)-17-isopropyl-11-(4-met...) Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)CNC(=O)C(Cc1ccc(OC)cc1)NC(=O)CNC(=O)[C@@H](NC(=O)CNC2=O)C(C)C Show InChI InChI=1S/C37H46N8O8/c1-21(2)33-36(51)41-19-30(46)42-27(15-22-10-12-24(53-3)13-11-22)34(49)39-18-31(47)43-28(16-23-17-38-26-8-5-4-7-25(23)26)37(52)45-14-6-9-29(45)35(50)40-20-32(48)44-33/h4-5,7-8,10-13,17,21,27-29,33,38H,6,9,14-16,18-20H2,1-3H3,(H,39,49)(H,40,50)(H,41,51)(H,42,46)(H,43,47)(H,44,48)/t27?,28-,29+,33+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description Displacement of [125I]-NKA substance P binding to human urinary bladder membrane protein (NK2)				J Med Chem 37: 356-63 (1994) BindingDB Entry DOI: 10.7270/Q21N805R
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50407272 (CHEMBL2111789) Show SMILES CC(C)[C@@H]1NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)[C@H](Cc2ccc(OC(C)(C)C)cc2)NC(=O)CNC1=O Show InChI InChI=1S/C40H52N8O8/c1-23(2)35-38(54)44-21-32(49)45-29(17-24-12-14-26(15-13-24)56-40(3,4)5)36(52)42-20-33(50)46-30(18-25-19-41-28-10-7-6-9-27(25)28)39(55)48-16-8-11-31(48)37(53)43-22-34(51)47-35/h6-7,9-10,12-15,19,23,29-31,35,41H,8,11,16-18,20-22H2,1-5H3,(H,42,52)(H,43,53)(H,44,54)(H,45,49)(H,46,50)(H,47,51)/t29-,30-,31-,35-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description Displacement of [125I]- substance P binding to human astrocytoma cells (NK1)				J Med Chem 37: 356-63 (1994) BindingDB Entry DOI: 10.7270/Q21N805R
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50030097 ((R)-11-[Hydroxy-(4-hydroxy-phenyl)-methyl]-5-(1H-i...) Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)CNC(=O)C(NC(=O)CNC(=O)[C@@H](NC(=O)CNC2=O)C(C)C)C(O)c1ccc(O)cc1 Show InChI InChI=1S/C36H44N8O9/c1-19(2)30-34(51)39-18-29(48)43-31(32(49)20-9-11-22(45)12-10-20)35(52)40-16-27(46)41-25(14-21-15-37-24-7-4-3-6-23(21)24)36(53)44-13-5-8-26(44)33(50)38-17-28(47)42-30/h3-4,6-7,9-12,15,19,25-26,30-32,37,45,49H,5,8,13-14,16-18H2,1-2H3,(H,38,50)(H,39,51)(H,40,52)(H,41,46)(H,42,47)(H,43,48)/t25-,26+,30+,31?,32?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description Displacement of [125I]- substance P binding to human astrocytoma cells (NK1)				J Med Chem 37: 356-63 (1994) BindingDB Entry DOI: 10.7270/Q21N805R
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50030097 ((R)-11-[Hydroxy-(4-hydroxy-phenyl)-methyl]-5-(1H-i...) Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)CNC(=O)C(NC(=O)CNC(=O)[C@@H](NC(=O)CNC2=O)C(C)C)C(O)c1ccc(O)cc1 Show InChI InChI=1S/C36H44N8O9/c1-19(2)30-34(51)39-18-29(48)43-31(32(49)20-9-11-22(45)12-10-20)35(52)40-16-27(46)41-25(14-21-15-37-24-7-4-3-6-23(21)24)36(53)44-13-5-8-26(44)33(50)38-17-28(47)42-30/h3-4,6-7,9-12,15,19,25-26,30-32,37,45,49H,5,8,13-14,16-18H2,1-2H3,(H,38,50)(H,39,51)(H,40,52)(H,41,46)(H,42,47)(H,43,48)/t25-,26+,30+,31?,32?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description Displacement of [125I]-NKA substance P binding to human urinary bladder membrane protein (NK2)				J Med Chem 37: 356-63 (1994) BindingDB Entry DOI: 10.7270/Q21N805R
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50030098 ((R)-11-(4-Hydroxy-benzyl)-5-(1H-indol-3-ylmethyl)-...) Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H](NC(=O)CNC2=O)C(C)C Show InChI InChI=1S/C36H44N8O8/c1-20(2)32-35(51)40-18-29(46)41-26(14-21-9-11-23(45)12-10-21)33(49)38-17-30(47)42-27(15-22-16-37-25-7-4-3-6-24(22)25)36(52)44-13-5-8-28(44)34(50)39-19-31(48)43-32/h3-4,6-7,9-12,16,20,26-28,32,37,45H,5,8,13-15,17-19H2,1-2H3,(H,38,49)(H,39,50)(H,40,51)(H,41,46)(H,42,47)(H,43,48)/t26-,27+,28-,32-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description Displacement of [125I]-NKA substance P binding to human urinary bladder membrane protein (NK2)				J Med Chem 37: 356-63 (1994) BindingDB Entry DOI: 10.7270/Q21N805R
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50030090 ((R)-11-(1H-Indol-5-ylmethyl)-5-(1H-indol-3-ylmethy...) Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)CNC(=O)[C@H](Cc1ccc3[nH]ccc3c1)NC(=O)CNC(=O)[C@@H](NC(=O)CNC2=O)C(C)C Show InChI InChI=1S/C38H45N9O7/c1-21(2)34-37(53)43-19-31(48)44-28(15-22-9-10-26-23(14-22)11-12-39-26)35(51)41-18-32(49)45-29(16-24-17-40-27-7-4-3-6-25(24)27)38(54)47-13-5-8-30(47)36(52)42-20-33(50)46-34/h3-4,6-7,9-12,14,17,21,28-30,34,39-40H,5,8,13,15-16,18-20H2,1-2H3,(H,41,51)(H,42,52)(H,43,53)(H,44,48)(H,45,49)(H,46,50)/t28-,29+,30-,34-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description Displacement of [125I]- substance P binding to human astrocytoma cells (NK1)				J Med Chem 37: 356-63 (1994) BindingDB Entry DOI: 10.7270/Q21N805R
					More data for this Ligand-Target Pair
Substance-K receptor (Homo sapiens (Human))	BDBM50030090 ((R)-11-(1H-Indol-5-ylmethyl)-5-(1H-indol-3-ylmethy...) Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)CNC(=O)[C@H](Cc1ccc3[nH]ccc3c1)NC(=O)CNC(=O)[C@@H](NC(=O)CNC2=O)C(C)C Show InChI InChI=1S/C38H45N9O7/c1-21(2)34-37(53)43-19-31(48)44-28(15-22-9-10-26-23(14-22)11-12-39-26)35(51)41-18-32(49)45-29(16-24-17-40-27-7-4-3-6-25(24)27)38(54)47-13-5-8-30(47)36(52)42-20-33(50)46-34/h3-4,6-7,9-12,14,17,21,28-30,34,39-40H,5,8,13,15-16,18-20H2,1-2H3,(H,41,51)(H,42,52)(H,43,53)(H,44,48)(H,45,49)(H,46,50)/t28-,29+,30-,34-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description Displacement of [125I]-NKA substance P binding to human urinary bladder membrane protein (NK2)				J Med Chem 37: 356-63 (1994) BindingDB Entry DOI: 10.7270/Q21N805R
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50030098 ((R)-11-(4-Hydroxy-benzyl)-5-(1H-indol-3-ylmethyl)-...) Show SMILES [H][C@@]12CCCN1C(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H](NC(=O)CNC2=O)C(C)C Show InChI InChI=1S/C36H44N8O8/c1-20(2)32-35(51)40-18-29(46)41-26(14-21-9-11-23(45)12-10-21)33(49)38-17-30(47)42-27(15-22-16-37-25-7-4-3-6-24(22)25)36(52)44-13-5-8-28(44)34(50)39-19-31(48)43-32/h3-4,6-7,9-12,16,20,26-28,32,37,45H,5,8,13-15,17-19H2,1-2H3,(H,38,49)(H,39,50)(H,40,51)(H,41,46)(H,42,47)(H,43,48)/t26-,27+,28-,32-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description Displacement of [125I]- substance P binding to human astrocytoma cells (NK1)				J Med Chem 37: 356-63 (1994) BindingDB Entry DOI: 10.7270/Q21N805R
					More data for this Ligand-Target Pair
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
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...)	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
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...)	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...)	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...)	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...)	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
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
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
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
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
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

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