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Compile Data Set for Download or QSAR

Found 94 hits with Last Name = 'starr' and Initial = 'jt'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Lysophospholipase-like 1 (LYPLAL1)


(Homo sapiens (Human))
BDBM195581
PNG
((2R,3R)-2-(3-ethynylphenyl)-1-(3-(4-(2-morpholinop...)
Show SMILES OC(=O)[C@@H]1CCCN([C@H]1c1cccc(c1)C#C)C(=O)n1cnc(n1)-c1ccc(cc1)-c1cnc(nc1)N1CCOCC1
Show InChI InChI=1S/C31H29N7O4/c1-2-21-5-3-6-24(17-21)27-26(29(39)40)7-4-12-37(27)31(41)38-20-34-28(35-38)23-10-8-22(9-11-23)25-18-32-30(33-19-25)36-13-15-42-16-14-36/h1,3,5-6,8-11,17-20,26-27H,4,7,12-16H2,(H,39,40)/t26-,27+/m1/s1
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n/an/a 5n/an/an/an/a7.5n/a



Pfizer Inc.



Assay Description
For determination of IC50 values for LYPLAL1 inhibitors, the reactions were carried out in 1.5 mL microcentrifuge tubes in a total reaction volume of...


ACS Chem Biol 11: 2529-40 (2016)


Article DOI: 10.1021/acschembio.6b00266
BindingDB Entry DOI: 10.7270/Q24X56K5
More data for this
Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM195574
PNG
((R)-(2-phenylpiperidin-1-yl)(3-(4-(pyridin-3-yl)ph...)
Show SMILES O=C(N1CCCC[C@@H]1c1ccccc1)n1cnc(n1)-c1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C25H23N5O/c31-25(29-16-5-4-10-23(29)20-7-2-1-3-8-20)30-18-27-24(28-30)21-13-11-19(12-14-21)22-9-6-15-26-17-22/h1-3,6-9,11-15,17-18,23H,4-5,10,16H2/t23-/m1/s1
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n/an/a 5n/an/an/an/a7.5n/a



Pfizer Inc.



Assay Description
For determination of IC50 values for CES1 inhibitors, the reactions were carried out in 1.5 mL microcentrifuge tubes in a total reaction volume of 25...


ACS Chem Biol 11: 2529-40 (2016)


Article DOI: 10.1021/acschembio.6b00266
BindingDB Entry DOI: 10.7270/Q24X56K5
More data for this
Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM195575
PNG
((R)-(3-(4-(2-morpholinopyrimidin-5-yl)phenyl)-1H-1...)
Show SMILES O=C(N1CCCC[C@@H]1c1ccccc1)n1cnc(n1)-c1ccc(cc1)-c1cnc(nc1)N1CCOCC1
Show InChI InChI=1S/C28H29N7O2/c36-28(34-13-5-4-8-25(34)22-6-2-1-3-7-22)35-20-31-26(32-35)23-11-9-21(10-12-23)24-18-29-27(30-19-24)33-14-16-37-17-15-33/h1-3,6-7,9-12,18-20,25H,4-5,8,13-17H2/t25-/m1/s1
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Pfizer Inc.



Assay Description
For determination of IC50 values for CES1 inhibitors, the reactions were carried out in 1.5 mL microcentrifuge tubes in a total reaction volume of 25...


ACS Chem Biol 11: 2529-40 (2016)


Article DOI: 10.1021/acschembio.6b00266
BindingDB Entry DOI: 10.7270/Q24X56K5
More data for this
Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM195572
PNG
((R)-N,N-dimethyl-4'-(2-(2-phenylpiperidine-1-c...)
Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)-c1ccc(cc1)-c1cnn(n1)C(=O)N1CCCC[C@@H]1c1ccccc1
Show InChI InChI=1S/C28H29N5O3S/c1-31(2)37(35,36)25-17-15-22(16-18-25)21-11-13-23(14-12-21)26-20-29-33(30-26)28(34)32-19-7-6-10-27(32)24-8-4-3-5-9-24/h3-5,8-9,11-18,20,27H,6-7,10,19H2,1-2H3/t27-/m1/s1
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Assay Description
For determination of IC50 values for CES1 inhibitors, the reactions were carried out in 1.5 mL microcentrifuge tubes in a total reaction volume of 25...


ACS Chem Biol 11: 2529-40 (2016)


Article DOI: 10.1021/acschembio.6b00266
BindingDB Entry DOI: 10.7270/Q24X56K5
More data for this
Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM195571
PNG
((R)-4'-(2-(2-phenylpiperidine-1-carbonyl)-2H-1...)
Show SMILES OC(=O)c1ccc(cc1)-c1ccc(cc1)-c1cnn(n1)C(=O)N1CCCC[C@@H]1c1ccccc1
Show InChI InChI=1S/C27H24N4O3/c32-26(33)23-15-11-20(12-16-23)19-9-13-21(14-10-19)24-18-28-31(29-24)27(34)30-17-5-4-8-25(30)22-6-2-1-3-7-22/h1-3,6-7,9-16,18,25H,4-5,8,17H2,(H,32,33)/t25-/m1/s1
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Assay Description
For determination of IC50 values for CES1 inhibitors, the reactions were carried out in 1.5 mL microcentrifuge tubes in a total reaction volume of 25...


ACS Chem Biol 11: 2529-40 (2016)


Article DOI: 10.1021/acschembio.6b00266
BindingDB Entry DOI: 10.7270/Q24X56K5
More data for this
Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM195570
PNG
((S)-4'-(2-(2-phenylpiperidine-1-carbonyl)-2H-1...)
Show SMILES OC(=O)c1ccc(cc1)-c1ccc(cc1)-c1cnn(n1)C(=O)N1CCCC[C@H]1c1ccccc1
Show InChI InChI=1S/C27H24N4O3/c32-26(33)23-15-11-20(12-16-23)19-9-13-21(14-10-19)24-18-28-31(29-24)27(34)30-17-5-4-8-25(30)22-6-2-1-3-7-22/h1-3,6-7,9-16,18,25H,4-5,8,17H2,(H,32,33)/t25-/m0/s1
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Assay Description
For determination of IC50 values for CES1 inhibitors, the reactions were carried out in 1.5 mL microcentrifuge tubes in a total reaction volume of 25...


ACS Chem Biol 11: 2529-40 (2016)


Article DOI: 10.1021/acschembio.6b00266
BindingDB Entry DOI: 10.7270/Q24X56K5
More data for this
Ligand-Target Pair
Lysophospholipase-like 1 (LYPLAL1)


(Homo sapiens (Human))
BDBM195580
PNG
((2R,3R)-1-(3-(4-(2-morpholinopyrimidin-5-yl)phenyl...)
Show SMILES OC(=O)[C@@H]1CCCN([C@H]1c1ccccc1)C(=O)n1cnc(n1)-c1ccc(cc1)-c1cnc(nc1)N1CCOCC1
Show InChI InChI=1S/C29H29N7O4/c37-27(38)24-7-4-12-35(25(24)21-5-2-1-3-6-21)29(39)36-19-32-26(33-36)22-10-8-20(9-11-22)23-17-30-28(31-18-23)34-13-15-40-16-14-34/h1-3,5-6,8-11,17-19,24-25H,4,7,12-16H2,(H,37,38)/t24-,25+/m1/s1
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Assay Description
For determination of IC50 values for LYPLAL1 inhibitors, the reactions were carried out in 1.5 mL microcentrifuge tubes in a total reaction volume of...


ACS Chem Biol 11: 2529-40 (2016)


Article DOI: 10.1021/acschembio.6b00266
BindingDB Entry DOI: 10.7270/Q24X56K5
More data for this
Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM195573
PNG
((R)-4'-(1-(2-phenylpiperidine-1-carbonyl)-1H-1...)
Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)-c1ccc(cc1)-c1ncn(n1)C(=O)N1CCCC[C@@H]1c1ccccc1
Show InChI InChI=1S/C26H25N5O3S/c27-35(33,34)23-15-13-20(14-16-23)19-9-11-22(12-10-19)25-28-18-31(29-25)26(32)30-17-5-4-8-24(30)21-6-2-1-3-7-21/h1-3,6-7,9-16,18,24H,4-5,8,17H2,(H2,27,33,34)/t24-/m1/s1
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Pfizer Inc.



Assay Description
For determination of IC50 values for CES1 inhibitors, the reactions were carried out in 1.5 mL microcentrifuge tubes in a total reaction volume of 25...


ACS Chem Biol 11: 2529-40 (2016)


Article DOI: 10.1021/acschembio.6b00266
BindingDB Entry DOI: 10.7270/Q24X56K5
More data for this
Ligand-Target Pair
Lysophospholipase-like 1 (LYPLAL1)


(Homo sapiens (Human))
BDBM195575
PNG
((R)-(3-(4-(2-morpholinopyrimidin-5-yl)phenyl)-1H-1...)
Show SMILES O=C(N1CCCC[C@@H]1c1ccccc1)n1cnc(n1)-c1ccc(cc1)-c1cnc(nc1)N1CCOCC1
Show InChI InChI=1S/C28H29N7O2/c36-28(34-13-5-4-8-25(34)22-6-2-1-3-7-22)35-20-31-26(32-35)23-11-9-21(10-12-23)24-18-29-27(30-19-24)33-14-16-37-17-15-33/h1-3,6-7,9-12,18-20,25H,4-5,8,13-17H2/t25-/m1/s1
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Assay Description
For determination of IC50 values for LYPLAL1 inhibitors, the reactions were carried out in 1.5 mL microcentrifuge tubes in a total reaction volume of...


ACS Chem Biol 11: 2529-40 (2016)


Article DOI: 10.1021/acschembio.6b00266
BindingDB Entry DOI: 10.7270/Q24X56K5
More data for this
Ligand-Target Pair
Lysophospholipase-like 1 (LYPLAL1)


(Homo sapiens (Human))
BDBM195578
PNG
((2R, 4R)-1-(3-(4-(2-morpholinopyrimidin-5-yl)pheny...)
Show SMILES OC(=O)[C@@H]1CCN([C@H](C1)c1ccccc1)C(=O)n1cnc(n1)-c1ccc(cc1)-c1cnc(nc1)N1CCOCC1
Show InChI InChI=1S/C29H29N7O4/c37-27(38)23-10-11-35(25(16-23)21-4-2-1-3-5-21)29(39)36-19-32-26(33-36)22-8-6-20(7-9-22)24-17-30-28(31-18-24)34-12-14-40-15-13-34/h1-9,17-19,23,25H,10-16H2,(H,37,38)/t23-,25-/m1/s1
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Assay Description
For determination of IC50 values for LYPLAL1 inhibitors, the reactions were carried out in 1.5 mL microcentrifuge tubes in a total reaction volume of...


ACS Chem Biol 11: 2529-40 (2016)


Article DOI: 10.1021/acschembio.6b00266
BindingDB Entry DOI: 10.7270/Q24X56K5
More data for this
Ligand-Target Pair
Lysophospholipase-like 1 (LYPLAL1)


(Homo sapiens (Human))
BDBM195572
PNG
((R)-N,N-dimethyl-4'-(2-(2-phenylpiperidine-1-c...)
Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)-c1ccc(cc1)-c1cnn(n1)C(=O)N1CCCC[C@@H]1c1ccccc1
Show InChI InChI=1S/C28H29N5O3S/c1-31(2)37(35,36)25-17-15-22(16-18-25)21-11-13-23(14-12-21)26-20-29-33(30-26)28(34)32-19-7-6-10-27(32)24-8-4-3-5-9-24/h3-5,8-9,11-18,20,27H,6-7,10,19H2,1-2H3/t27-/m1/s1
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Pfizer Inc.



Assay Description
For determination of IC50 values for LYPLAL1 inhibitors, the reactions were carried out in 1.5 mL microcentrifuge tubes in a total reaction volume of...


ACS Chem Biol 11: 2529-40 (2016)


Article DOI: 10.1021/acschembio.6b00266
BindingDB Entry DOI: 10.7270/Q24X56K5
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Streptococcus pneumoniae)
BDBM50378451
PNG
(CHEMBL578362)
Show SMILES CCNC(=O)Nc1cn2c(cc(cc2n1)-c1cncnc1)-c1ncc(C)cn1
Show InChI InChI=1S/C19H18N8O/c1-3-22-19(28)26-16-10-27-15(18-23-6-12(2)7-24-18)4-13(5-17(27)25-16)14-8-20-11-21-9-14/h4-11H,3H2,1-2H3,(H2,22,26,28)
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n/an/a 36n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 gyrB by enzyme coupled phosphate assay


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
Lysophospholipase-like 1 (LYPLAL1)


(Homo sapiens (Human))
BDBM195574
PNG
((R)-(2-phenylpiperidin-1-yl)(3-(4-(pyridin-3-yl)ph...)
Show SMILES O=C(N1CCCC[C@@H]1c1ccccc1)n1cnc(n1)-c1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C25H23N5O/c31-25(29-16-5-4-10-23(29)20-7-2-1-3-8-20)30-18-27-24(28-30)21-13-11-19(12-14-21)22-9-6-15-26-17-22/h1-3,6-9,11-15,17-18,23H,4-5,10,16H2/t23-/m1/s1
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Pfizer Inc.



Assay Description
For determination of IC50 values for LYPLAL1 inhibitors, the reactions were carried out in 1.5 mL microcentrifuge tubes in a total reaction volume of...


ACS Chem Biol 11: 2529-40 (2016)


Article DOI: 10.1021/acschembio.6b00266
BindingDB Entry DOI: 10.7270/Q24X56K5
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Streptococcus pneumoniae)
BDBM50423645
PNG
(Albamycin | Cathomycin | NOVOBIOCIN)
Show SMILES [#6]-[#8]-[#6@@H]1-[#6@@H](-[#8]-[#6](-[#7])=O)-[#6@H](-[#8])-[#6@@H](-[#8]-c2ccc3c(-[#8])c(-[#7]-[#6](=O)-c4ccc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c4)c(=O)oc3c2-[#6])-[#8]C1([#6])[#6]
Show InChI InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25-,26+,29-/m0/s1
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 gyrB by enzyme coupled phosphate assay


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Streptococcus pneumoniae)
BDBM50378443
PNG
(CHEMBL568020)
Show SMILES CCNC(=O)Nc1cn2c(cc(cc2n1)-c1ccc(C)nc1)-c1ncccn1
Show InChI InChI=1S/C20H19N7O/c1-3-21-20(28)26-17-12-27-16(19-22-7-4-8-23-19)9-15(10-18(27)25-17)14-6-5-13(2)24-11-14/h4-12H,3H2,1-2H3,(H2,21,26,28)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 gyrB by enzyme coupled phosphate assay


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
Lysophospholipase-like 1 (LYPLAL1)


(Homo sapiens (Human))
BDBM195573
PNG
((R)-4'-(1-(2-phenylpiperidine-1-carbonyl)-1H-1...)
Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)-c1ccc(cc1)-c1ncn(n1)C(=O)N1CCCC[C@@H]1c1ccccc1
Show InChI InChI=1S/C26H25N5O3S/c27-35(33,34)23-15-13-20(14-16-23)19-9-11-22(12-10-19)25-28-18-31(29-25)26(32)30-17-5-4-8-24(30)21-6-2-1-3-7-21/h1-3,6-7,9-16,18,24H,4-5,8,17H2,(H2,27,33,34)/t24-/m1/s1
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Pfizer Inc.



Assay Description
For determination of IC50 values for LYPLAL1 inhibitors, the reactions were carried out in 1.5 mL microcentrifuge tubes in a total reaction volume of...


ACS Chem Biol 11: 2529-40 (2016)


Article DOI: 10.1021/acschembio.6b00266
BindingDB Entry DOI: 10.7270/Q24X56K5
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Streptococcus pneumoniae)
BDBM50378425
PNG
(CHEMBL565765)
Show SMILES CCNC(=O)Nc1cn2c(cc(cc2n1)-c1cccnc1)-c1ncccn1
Show InChI InChI=1S/C19H17N7O/c1-2-21-19(27)25-16-12-26-15(18-22-7-4-8-23-18)9-14(10-17(26)24-16)13-5-3-6-20-11-13/h3-12H,2H2,1H3,(H2,21,25,27)
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n/an/a 48n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 gyrB by enzyme coupled phosphate assay


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Streptococcus pneumoniae)
BDBM50378420
PNG
(CHEMBL565750)
Show SMILES CCNC(=O)Nc1cn2c(cc(cc2n1)-c1ccn(CC)c(=O)c1)-c1ncc(C)cn1
Show InChI InChI=1S/C22H23N7O2/c1-4-23-22(31)27-18-13-29-17(21-24-11-14(3)12-25-21)8-16(9-19(29)26-18)15-6-7-28(5-2)20(30)10-15/h6-13H,4-5H2,1-3H3,(H2,23,27,31)
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n/an/a 51n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 gyrB by enzyme coupled phosphate assay


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Streptococcus pneumoniae)
BDBM50378433
PNG
(CHEMBL584265)
Show SMILES CCNC(=O)Nc1cn2c(cc(cc2n1)-c1cccnc1)-c1nccc(n1)C(=O)OC
Show InChI InChI=1S/C21H19N7O3/c1-3-23-21(30)27-17-12-28-16(19-24-8-6-15(25-19)20(29)31-2)9-14(10-18(28)26-17)13-5-4-7-22-11-13/h4-12H,3H2,1-2H3,(H2,23,27,30)
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n/an/a 52n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 gyrB by enzyme coupled phosphate assay


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Streptococcus pneumoniae)
BDBM50378426
PNG
(CHEMBL577478)
Show SMILES CCNC(=O)Nc1cn2c(cc(cc2n1)-c1cccnc1)-c1ncc(C)cn1
Show InChI InChI=1S/C20H19N7O/c1-3-22-20(28)26-17-12-27-16(19-23-9-13(2)10-24-19)7-15(8-18(27)25-17)14-5-4-6-21-11-14/h4-12H,3H2,1-2H3,(H2,22,26,28)
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n/an/a 53n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 gyrB by enzyme coupled phosphate assay


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Streptococcus pneumoniae)
BDBM50378429
PNG
(CHEMBL583049)
Show SMILES CCNC(=O)Nc1cn2c(cc(cc2n1)-c1cccnc1)-c1ncc(F)cn1
Show InChI InChI=1S/C19H16FN7O/c1-2-22-19(28)26-16-11-27-15(18-23-9-14(20)10-24-18)6-13(7-17(27)25-16)12-4-3-5-21-8-12/h3-11H,2H2,1H3,(H2,22,26,28)
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n/an/a 56n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 gyrB by enzyme coupled phosphate assay


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
Lysophospholipase-like 1 (LYPLAL1)


(Homo sapiens (Human))
BDBM195571
PNG
((R)-4'-(2-(2-phenylpiperidine-1-carbonyl)-2H-1...)
Show SMILES OC(=O)c1ccc(cc1)-c1ccc(cc1)-c1cnn(n1)C(=O)N1CCCC[C@@H]1c1ccccc1
Show InChI InChI=1S/C27H24N4O3/c32-26(33)23-15-11-20(12-16-23)19-9-13-21(14-10-19)24-18-28-31(29-24)27(34)30-17-5-4-8-25(30)22-6-2-1-3-7-22/h1-3,6-7,9-16,18,25H,4-5,8,17H2,(H,32,33)/t25-/m1/s1
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n/an/a 59n/an/an/an/a7.5n/a



Pfizer Inc.



Assay Description
For determination of IC50 values for LYPLAL1 inhibitors, the reactions were carried out in 1.5 mL microcentrifuge tubes in a total reaction volume of...


ACS Chem Biol 11: 2529-40 (2016)


Article DOI: 10.1021/acschembio.6b00266
BindingDB Entry DOI: 10.7270/Q24X56K5
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Streptococcus pneumoniae)
BDBM50378450
PNG
(CHEMBL578361)
Show SMILES CCNC(=O)Nc1cn2c(cc(cc2n1)-c1cncnc1)-c1ncccn1
Show InChI InChI=1S/C18H16N8O/c1-2-21-18(27)25-15-10-26-14(17-22-4-3-5-23-17)6-12(7-16(26)24-15)13-8-19-11-20-9-13/h3-11H,2H2,1H3,(H2,21,25,27)
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n/an/a 75n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 gyrB by enzyme coupled phosphate assay


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Streptococcus pneumoniae)
BDBM50378438
PNG
(CHEMBL577053)
Show SMILES CNC(=O)Nc1cn2c(cc(cc2n1)-c1cccnc1)-c1ncc(C)cn1
Show InChI InChI=1S/C19H17N7O/c1-12-8-22-18(23-9-12)15-6-14(13-4-3-5-21-10-13)7-17-24-16(11-26(15)17)25-19(27)20-2/h3-11H,1-2H3,(H2,20,25,27)
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n/an/a 92n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 gyrB by enzyme coupled phosphate assay


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Streptococcus pneumoniae)
BDBM50378444
PNG
(CHEMBL568021)
Show SMILES CCNC(=O)Nc1cn2c(cc(cc2n1)-c1ccc(C)nc1)-c1ncc(C)cn1
Show InChI InChI=1S/C21H21N7O/c1-4-22-21(29)27-18-12-28-17(20-24-9-13(2)10-25-20)7-16(8-19(28)26-18)15-6-5-14(3)23-11-15/h5-12H,4H2,1-3H3,(H2,22,27,29)
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n/an/a 96n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 gyrB by enzyme coupled phosphate assay


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Streptococcus pneumoniae)
BDBM50378421
PNG
(CHEMBL578149)
Show SMILES CCCn1ccc(cc1=O)-c1cc(-c2ncc(C)cn2)n2cc(NC(=O)NCC)nc2c1
Show InChI InChI=1S/C23H25N7O2/c1-4-7-29-8-6-16(11-21(29)31)17-9-18(22-25-12-15(3)13-26-22)30-14-19(27-20(30)10-17)28-23(32)24-5-2/h6,8-14H,4-5,7H2,1-3H3,(H2,24,28,32)
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n/an/a 97n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 gyrB by enzyme coupled phosphate assay


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Streptococcus pneumoniae)
BDBM50378423
PNG
(CHEMBL583440)
Show SMILES CCNC(=O)Nc1cn2c(cc(cc2n1)-c1ccn(CC(O)=O)c(=O)c1)-c1ncc(C)cn1
Show InChI InChI=1S/C22H21N7O4/c1-3-23-22(33)27-17-11-29-16(21-24-9-13(2)10-25-21)6-15(7-18(29)26-17)14-4-5-28(12-20(31)32)19(30)8-14/h4-11H,3,12H2,1-2H3,(H,31,32)(H2,23,27,33)
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n/an/a 98n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 gyrB by enzyme coupled phosphate assay


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Streptococcus pneumoniae)
BDBM50378447
PNG
(CHEMBL577909)
Show SMILES CCNC(=O)Nc1cn2c(cc(cc2n1)-c1cnc(nc1)N(C)C)-c1nccc(C)n1
Show InChI InChI=1S/C21H23N9O/c1-5-22-21(31)28-17-12-30-16(19-23-7-6-13(2)26-19)8-14(9-18(30)27-17)15-10-24-20(25-11-15)29(3)4/h6-12H,5H2,1-4H3,(H2,22,28,31)
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n/an/a 113n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 gyrB by enzyme coupled phosphate assay


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Streptococcus pneumoniae)
BDBM50378445
PNG
(CHEMBL565776)
Show SMILES CCNC(=O)Nc1cn2c(cc(cc2n1)-c1ccc(OC)nc1)-c1ncc(C)cn1
Show InChI InChI=1S/C21H21N7O2/c1-4-22-21(29)27-17-12-28-16(20-24-9-13(2)10-25-20)7-15(8-18(28)26-17)14-5-6-19(30-3)23-11-14/h5-12H,4H2,1-3H3,(H2,22,27,29)
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n/an/a 117n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 gyrB by enzyme coupled phosphate assay


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
ParE


(Streptococcus pneumoniae)
BDBM50378443
PNG
(CHEMBL568020)
Show SMILES CCNC(=O)Nc1cn2c(cc(cc2n1)-c1ccc(C)nc1)-c1ncccn1
Show InChI InChI=1S/C20H19N7O/c1-3-21-20(28)26-17-12-27-16(19-22-7-4-8-23-19)9-15(10-18(27)25-17)14-6-5-13(2)24-11-14/h4-12H,3H2,1-2H3,(H2,21,26,28)
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n/an/a 119n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 parE after 30 mins


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Streptococcus pneumoniae)
BDBM50378452
PNG
(CHEMBL583870)
Show SMILES CCNC(=O)Nc1cn2c(cc(cc2n1)-c1cnc(OC)nc1)-c1ncc(C)cn1
Show InChI InChI=1S/C20H20N8O2/c1-4-21-19(29)27-16-11-28-15(18-22-7-12(2)8-23-18)5-13(6-17(28)26-16)14-9-24-20(30-3)25-10-14/h5-11H,4H2,1-3H3,(H2,21,27,29)
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n/an/a 132n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 gyrB by enzyme coupled phosphate assay


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Streptococcus pneumoniae)
BDBM50378448
PNG
(CHEMBL577041)
Show SMILES CCNC(=O)Nc1cn2c(cc(cc2n1)-c1cnc(nc1)N(C)C)-c1ncccn1
Show InChI InChI=1S/C20H21N9O/c1-4-21-20(30)27-16-12-29-15(18-22-6-5-7-23-18)8-13(9-17(29)26-16)14-10-24-19(25-11-14)28(2)3/h5-12H,4H2,1-3H3,(H2,21,27,30)
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n/an/a 137n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 gyrB by enzyme coupled phosphate assay


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
ParE


(Streptococcus pneumoniae)
BDBM50378445
PNG
(CHEMBL565776)
Show SMILES CCNC(=O)Nc1cn2c(cc(cc2n1)-c1ccc(OC)nc1)-c1ncc(C)cn1
Show InChI InChI=1S/C21H21N7O2/c1-4-22-21(29)27-17-12-28-16(20-24-9-13(2)10-25-20)7-15(8-18(28)26-17)14-5-6-19(30-3)23-11-14/h5-12H,4H2,1-3H3,(H2,22,27,29)
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n/an/a 147n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 parE after 30 mins


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Streptococcus pneumoniae)
BDBM50378430
PNG
(CHEMBL568019)
Show SMILES CCNC(=O)Nc1cn2c(cc(cc2n1)-c1cccnc1)-c1ncc(Cl)cn1
Show InChI InChI=1S/C19H16ClN7O/c1-2-22-19(28)26-16-11-27-15(18-23-9-14(20)10-24-18)6-13(7-17(27)25-16)12-4-3-5-21-8-12/h3-11H,2H2,1H3,(H2,22,26,28)
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n/an/a 149n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 gyrB by enzyme coupled phosphate assay


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Streptococcus pneumoniae)
BDBM50378427
PNG
(CHEMBL565572)
Show SMILES CCNC(=O)Nc1cn2c(cc(cc2n1)-c1cccnc1)-c1ncc(cn1)C(F)(F)F
Show InChI InChI=1S/C20H16F3N7O/c1-2-25-19(31)29-16-11-30-15(18-26-9-14(10-27-18)20(21,22)23)6-13(7-17(30)28-16)12-4-3-5-24-8-12/h3-11H,2H2,1H3,(H2,25,29,31)
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n/an/a 163n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 gyrB by enzyme coupled phosphate assay


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Streptococcus pneumoniae)
BDBM50378435
PNG
(CHEMBL578336)
Show SMILES CCNC(=O)Nc1cn2c(cc(cc2n1)-c1cccnc1)-c1nc(C)cc(C)n1
Show InChI InChI=1S/C21H21N7O/c1-4-23-21(29)27-18-12-28-17(20-24-13(2)8-14(3)25-20)9-16(10-19(28)26-18)15-6-5-7-22-11-15/h5-12H,4H2,1-3H3,(H2,23,27,29)
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n/an/a 198n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 gyrB by enzyme coupled phosphate assay


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Streptococcus pneumoniae)
BDBM50378436
PNG
(CHEMBL578991)
Show SMILES CCNC(=O)Nc1cn2c(cc(cc2n1)-c1cccnc1)-c1nc(C)cc(n1)C(F)(F)F
Show InChI InChI=1S/C21H18F3N7O/c1-3-26-20(32)30-17-11-31-15(19-27-12(2)7-16(28-19)21(22,23)24)8-14(9-18(31)29-17)13-5-4-6-25-10-13/h4-11H,3H2,1-2H3,(H2,26,30,32)
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n/an/a 216n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 gyrB by enzyme coupled phosphate assay


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Streptococcus pneumoniae)
BDBM50378437
PNG
(CHEMBL578992)
Show SMILES CCNC(=O)Nc1cn2c(cc(cc2n1)-c1cccnc1)-c1nc(cc(n1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H15F6N7O/c1-2-29-19(35)33-16-10-34-13(6-12(7-17(34)32-16)11-4-3-5-28-9-11)18-30-14(20(22,23)24)8-15(31-18)21(25,26)27/h3-10H,2H2,1H3,(H2,29,33,35)
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n/an/a 242n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 gyrB by enzyme coupled phosphate assay


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Streptococcus pneumoniae)
BDBM50378453
PNG
(CHEMBL567804)
Show SMILES CCNC(=O)Nc1cn2c(cc(cc2n1)-c1cnc(nc1)N1CCCC1)-c1ncc(C)cn1
Show InChI InChI=1S/C23H25N9O/c1-3-24-23(33)30-19-14-32-18(21-25-10-15(2)11-26-21)8-16(9-20(32)29-19)17-12-27-22(28-13-17)31-6-4-5-7-31/h8-14H,3-7H2,1-2H3,(H2,24,30,33)
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n/an/a 244n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 gyrB by enzyme coupled phosphate assay


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
ParE


(Streptococcus pneumoniae)
BDBM50378426
PNG
(CHEMBL577478)
Show SMILES CCNC(=O)Nc1cn2c(cc(cc2n1)-c1cccnc1)-c1ncc(C)cn1
Show InChI InChI=1S/C20H19N7O/c1-3-22-20(28)26-17-12-27-16(19-23-9-13(2)10-24-19)7-15(8-18(27)25-17)14-5-4-6-21-11-14/h4-12H,3H2,1-2H3,(H2,22,26,28)
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n/an/a 250n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 parE after 30 mins


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Streptococcus pneumoniae)
BDBM50378439
PNG
(CHEMBL565741)
Show SMILES CCC(=O)Nc1cn2c(cc(cc2n1)-c1cccnc1)-c1ncc(C)cn1
Show InChI InChI=1S/C20H18N6O/c1-3-19(27)25-17-12-26-16(20-22-9-13(2)10-23-20)7-15(8-18(26)24-17)14-5-4-6-21-11-14/h4-12H,3H2,1-2H3,(H,25,27)
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n/an/a 255n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 gyrB by enzyme coupled phosphate assay


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
ParE


(Streptococcus pneumoniae)
BDBM50378451
PNG
(CHEMBL578362)
Show SMILES CCNC(=O)Nc1cn2c(cc(cc2n1)-c1cncnc1)-c1ncc(C)cn1
Show InChI InChI=1S/C19H18N8O/c1-3-22-19(28)26-16-10-27-15(18-23-6-12(2)7-24-18)4-13(5-17(27)25-16)14-8-20-11-21-9-14/h4-11H,3H2,1-2H3,(H2,22,26,28)
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n/an/a 258n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 parE after 30 mins


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Streptococcus pneumoniae)
BDBM50378441
PNG
(CHEMBL578138)
Show SMILES CCCCNC(=O)Nc1cn2c(cc(cc2n1)-c1cccnc1)-c1ncc(C)cn1
Show InChI InChI=1S/C22H23N7O/c1-3-4-8-24-22(30)28-19-14-29-18(21-25-11-15(2)12-26-21)9-17(10-20(29)27-19)16-6-5-7-23-13-16/h5-7,9-14H,3-4,8H2,1-2H3,(H2,24,28,30)
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n/an/a 261n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 gyrB by enzyme coupled phosphate assay


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
ParE


(Streptococcus pneumoniae)
BDBM50378428
PNG
(CHEMBL578120)
Show SMILES CCNC(=O)Nc1cn2c(cc(cc2n1)-c1cccnc1)-c1ncc(CC)cn1
Show InChI InChI=1S/C21H21N7O/c1-3-14-10-24-20(25-11-14)17-8-16(15-6-5-7-22-12-15)9-19-26-18(13-28(17)19)27-21(29)23-4-2/h5-13H,3-4H2,1-2H3,(H2,23,27,29)
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n/an/a 265n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 parE after 30 mins


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
ParE


(Streptococcus pneumoniae)
BDBM50378450
PNG
(CHEMBL578361)
Show SMILES CCNC(=O)Nc1cn2c(cc(cc2n1)-c1cncnc1)-c1ncccn1
Show InChI InChI=1S/C18H16N8O/c1-2-21-18(27)25-15-10-26-14(17-22-4-3-5-23-17)6-12(7-16(26)24-15)13-8-19-11-20-9-13/h3-11H,2H2,1H3,(H2,21,25,27)
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n/an/a 280n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 parE after 30 mins


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Streptococcus pneumoniae)
BDBM50378440
PNG
(CHEMBL571734)
Show SMILES Cc1cnc(nc1)-c1cc(cc2nc(NC(=O)NC3CC3)cn12)-c1cccnc1
Show InChI InChI=1S/C21H19N7O/c1-13-9-23-20(24-10-13)17-7-15(14-3-2-6-22-11-14)8-19-26-18(12-28(17)19)27-21(29)25-16-4-5-16/h2-3,6-12,16H,4-5H2,1H3,(H2,25,27,29)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 gyrB by enzyme coupled phosphate assay


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Streptococcus pneumoniae)
BDBM50378434
PNG
(CHEMBL565971)
Show SMILES CCNC(=O)Nc1cn2c(cc(cc2n1)-c1cccnc1)-c1nccc(n1)C1CC1
Show InChI InChI=1S/C22H21N7O/c1-2-24-22(30)28-19-13-29-18(21-25-9-7-17(26-21)14-5-6-14)10-16(11-20(29)27-19)15-4-3-8-23-12-15/h3-4,7-14H,2,5-6H2,1H3,(H2,24,28,30)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 gyrB by enzyme coupled phosphate assay


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Streptococcus pneumoniae)
BDBM50378428
PNG
(CHEMBL578120)
Show SMILES CCNC(=O)Nc1cn2c(cc(cc2n1)-c1cccnc1)-c1ncc(CC)cn1
Show InChI InChI=1S/C21H21N7O/c1-3-14-10-24-20(25-11-14)17-8-16(15-6-5-7-22-12-15)9-19-26-18(13-28(17)19)27-21(29)23-4-2/h5-13H,3-4H2,1-2H3,(H2,23,27,29)
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n/an/a 353n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 gyrB by enzyme coupled phosphate assay


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
ParE


(Streptococcus pneumoniae)
BDBM50378429
PNG
(CHEMBL583049)
Show SMILES CCNC(=O)Nc1cn2c(cc(cc2n1)-c1cccnc1)-c1ncc(F)cn1
Show InChI InChI=1S/C19H16FN7O/c1-2-22-19(28)26-16-11-27-15(18-23-9-14(20)10-24-18)6-13(7-17(27)25-16)12-4-3-5-21-8-12/h3-11H,2H2,1H3,(H2,22,26,28)
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n/an/a 364n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 parE after 30 mins


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
ParE


(Streptococcus pneumoniae)
BDBM50378453
PNG
(CHEMBL567804)
Show SMILES CCNC(=O)Nc1cn2c(cc(cc2n1)-c1cnc(nc1)N1CCCC1)-c1ncc(C)cn1
Show InChI InChI=1S/C23H25N9O/c1-3-24-23(33)30-19-14-32-18(21-25-10-15(2)11-26-21)8-16(9-20(32)29-19)17-12-27-22(28-13-17)31-6-4-5-7-31/h8-14H,3-7H2,1-2H3,(H2,24,30,33)
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n/an/a 366n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pneumoniae SP-3 parE after 30 mins


Bioorg Med Chem Lett 19: 5302-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.141
BindingDB Entry DOI: 10.7270/Q23X87KD
More data for this
Ligand-Target Pair
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