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Compile Data Set for Download or QSAR

Found 227 hits with Last Name = 'mesleh' and Initial = 'mf'   
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
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM50572983
PNG
(CHEMBL4848846)
Show SMILES C[C@@H](C(=O)Nc1ccc(C)c(c1)S(=O)(=O)NCCc1ccccn1)n1ncc(Cl)c(Cl)c1=O |r|
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2.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Covalent inhibition of human PRMT5 assessed as initial binding constant by LC-MS analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00507
BindingDB Entry DOI: 10.7270/Q26977DH
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM50572968
PNG
(CHEMBL4862851)
Show SMILES Cc1ccc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1S(=O)(=O)NCCc1ccccn1
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8.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Covalent inhibition of human PRMT5 assessed as initial binding constant by LC-MS analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00507
BindingDB Entry DOI: 10.7270/Q26977DH
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM50572964
PNG
(CHEMBL4867592)
Show SMILES Cc1ccc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1S(=O)(=O)N1CCCCCC1
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1.90E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Covalent inhibition of human PRMT5 assessed as initial binding constant by LC-MS analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00507
BindingDB Entry DOI: 10.7270/Q26977DH
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM50572989
PNG
(CHEMBL4846332)
Show SMILES Cc1ccc(NC(=O)Cn2ncc(Cl)cc2=O)cc1S(=O)(=O)NCCc1ccccn1
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3.60E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Covalent inhibition of human PRMT5 assessed as initial binding constant by LC-MS analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00507
BindingDB Entry DOI: 10.7270/Q26977DH
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM50572991
PNG
(CHEMBL4858967)
Show SMILES C[C@H](C(=O)Nc1ccc(C)c(c1)S(=O)(=O)NCCc1ccccn1)n1ncc(Cl)cc1=O |r|
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4.20E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Covalent inhibition of human PRMT5 assessed as initial binding constant by LC-MS analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00507
BindingDB Entry DOI: 10.7270/Q26977DH
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM50572990
PNG
(CHEMBL4859105)
Show SMILES C[C@@H](C(=O)Nc1ccc(C)c(c1)S(=O)(=O)NCCc1ccccn1)n1ncc(Cl)cc1=O |r|
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4.90E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Covalent inhibition of human PRMT5 assessed as initial binding constant by LC-MS analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00507
BindingDB Entry DOI: 10.7270/Q26977DH
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM50572988
PNG
(CHEMBL4855695)
Show SMILES Cc1ccc(NC(=O)Cn2ncc(F)cc2=O)cc1S(=O)(=O)NCCc1ccccn1
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5.80E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Covalent inhibition of human PRMT5 assessed as initial binding constant by LC-MS analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00507
BindingDB Entry DOI: 10.7270/Q26977DH
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM50572984
PNG
(CHEMBL4874198)
Show SMILES C[C@H](C(=O)Nc1ccc(C)c(c1)S(=O)(=O)NCCc1ccccn1)n1ncc(Cl)c(Cl)c1=O |r|
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7.80E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Covalent inhibition of human PRMT5 assessed as initial binding constant by LC-MS analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00507
BindingDB Entry DOI: 10.7270/Q26977DH
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50122652
PNG
(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1
Show InChI InChI=1S/C37H33F2N5O3S/c1-3-40-36(46)41-26-19-17-25(18-20-26)33-29(22-42(2)21-24-11-6-4-7-12-24)32-34(45)44(27-13-8-5-9-14-27)37(47)43(35(32)48-33)23-28-30(38)15-10-16-31(28)39/h4-20H,3,21-23H2,1-2H3,(H2,40,41,46)
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n/an/a 0.310n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [His5, D-Tyr6]GnRH from GnRHR Y290L mutant expressed in COS7 cells


J Med Chem 49: 6170-6 (2006)


Article DOI: 10.1021/jm060580w
BindingDB Entry DOI: 10.7270/Q20V8CFN
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50122654
PNG
(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Show SMILES CONC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1
Show InChI InChI=1S/C36H31F2N5O4S/c1-41(20-23-10-5-3-6-11-23)21-28-31-33(44)43(26-12-7-4-8-13-26)36(46)42(22-27-29(37)14-9-15-30(27)38)34(31)48-32(28)24-16-18-25(19-17-24)39-35(45)40-47-2/h3-19H,20-22H2,1-2H3,(H2,39,40,45)
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n/an/a 0.5n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [His5, D-Tyr6]GnRH from GnRHR Y290L mutant expressed in COS7 cells


J Med Chem 49: 6170-6 (2006)


Article DOI: 10.1021/jm060580w
BindingDB Entry DOI: 10.7270/Q20V8CFN
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50122654
PNG
(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Show SMILES CONC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1
Show InChI InChI=1S/C36H31F2N5O4S/c1-41(20-23-10-5-3-6-11-23)21-28-31-33(44)43(26-12-7-4-8-13-26)36(46)42(22-27-29(37)14-9-15-30(27)38)34(31)48-32(28)24-16-18-25(19-17-24)39-35(45)40-47-2/h3-19H,20-22H2,1-2H3,(H2,39,40,45)
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n/an/a 0.700n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [His5, D-Tyr6]GnRH from GnRHR N27A mutant expressed in COS7 cells


J Med Chem 49: 6170-6 (2006)


Article DOI: 10.1021/jm060580w
BindingDB Entry DOI: 10.7270/Q20V8CFN
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50122654
PNG
(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Show SMILES CONC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1
Show InChI InChI=1S/C36H31F2N5O4S/c1-41(20-23-10-5-3-6-11-23)21-28-31-33(44)43(26-12-7-4-8-13-26)36(46)42(22-27-29(37)14-9-15-30(27)38)34(31)48-32(28)24-16-18-25(19-17-24)39-35(45)40-47-2/h3-19H,20-22H2,1-2H3,(H2,39,40,45)
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n/an/a 0.800n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from GnRHR F272L mutant expressed in COS7 cells


J Med Chem 49: 6170-6 (2006)


Article DOI: 10.1021/jm060580w
BindingDB Entry DOI: 10.7270/Q20V8CFN
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50122652
PNG
(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1
Show InChI InChI=1S/C37H33F2N5O3S/c1-3-40-36(46)41-26-19-17-25(18-20-26)33-29(22-42(2)21-24-11-6-4-7-12-24)32-34(45)44(27-13-8-5-9-14-27)37(47)43(35(32)48-33)23-28-30(38)15-10-16-31(28)39/h4-20H,3,21-23H2,1-2H3,(H2,40,41,46)
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n/an/a 0.900n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from GnRHR F272L mutant expressed in COS7 cells


J Med Chem 49: 6170-6 (2006)


Article DOI: 10.1021/jm060580w
BindingDB Entry DOI: 10.7270/Q20V8CFN
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50122652
PNG
(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1
Show InChI InChI=1S/C37H33F2N5O3S/c1-3-40-36(46)41-26-19-17-25(18-20-26)33-29(22-42(2)21-24-11-6-4-7-12-24)32-34(45)44(27-13-8-5-9-14-27)37(47)43(35(32)48-33)23-28-30(38)15-10-16-31(28)39/h4-20H,3,21-23H2,1-2H3,(H2,40,41,46)
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n/an/a 1n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [His5, D-Tyr6]GnRH from GnRHR N27A mutant expressed in COS7 cells


J Med Chem 49: 6170-6 (2006)


Article DOI: 10.1021/jm060580w
BindingDB Entry DOI: 10.7270/Q20V8CFN
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50122652
PNG
(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1
Show InChI InChI=1S/C37H33F2N5O3S/c1-3-40-36(46)41-26-19-17-25(18-20-26)33-29(22-42(2)21-24-11-6-4-7-12-24)32-34(45)44(27-13-8-5-9-14-27)37(47)43(35(32)48-33)23-28-30(38)15-10-16-31(28)39/h4-20H,3,21-23H2,1-2H3,(H2,40,41,46)
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n/an/a 1.10n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [His5, D-Tyr6]GnRH from GnRHR Q208E mutant expressed in COS7 cells


J Med Chem 49: 6170-6 (2006)


Article DOI: 10.1021/jm060580w
BindingDB Entry DOI: 10.7270/Q20V8CFN
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50122654
PNG
(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Show SMILES CONC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1
Show InChI InChI=1S/C36H31F2N5O4S/c1-41(20-23-10-5-3-6-11-23)21-28-31-33(44)43(26-12-7-4-8-13-26)36(46)42(22-27-29(37)14-9-15-30(27)38)34(31)48-32(28)24-16-18-25(19-17-24)39-35(45)40-47-2/h3-19H,20-22H2,1-2H3,(H2,39,40,45)
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n/an/a 1.20n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [His5, D-Tyr6]GnRH from GnRHR Q208E mutant expressed in COS7 cells


J Med Chem 49: 6170-6 (2006)


Article DOI: 10.1021/jm060580w
BindingDB Entry DOI: 10.7270/Q20V8CFN
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50122654
PNG
(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Show SMILES CONC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1
Show InChI InChI=1S/C36H31F2N5O4S/c1-41(20-23-10-5-3-6-11-23)21-28-31-33(44)43(26-12-7-4-8-13-26)36(46)42(22-27-29(37)14-9-15-30(27)38)34(31)48-32(28)24-16-18-25(19-17-24)39-35(45)40-47-2/h3-19H,20-22H2,1-2H3,(H2,39,40,45)
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n/an/a 1.90n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [His5, D-Tyr6]GnRH from GnRHR L300A mutant expressed in COS7 cells


J Med Chem 49: 6170-6 (2006)


Article DOI: 10.1021/jm060580w
BindingDB Entry DOI: 10.7270/Q20V8CFN
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50122652
PNG
(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1
Show InChI InChI=1S/C37H33F2N5O3S/c1-3-40-36(46)41-26-19-17-25(18-20-26)33-29(22-42(2)21-24-11-6-4-7-12-24)32-34(45)44(27-13-8-5-9-14-27)37(47)43(35(32)48-33)23-28-30(38)15-10-16-31(28)39/h4-20H,3,21-23H2,1-2H3,(H2,40,41,46)
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n/an/a 2.10n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [His5, D-Tyr6]GnRH from GnRHR L300A mutant expressed in COS7 cells


J Med Chem 49: 6170-6 (2006)


Article DOI: 10.1021/jm060580w
BindingDB Entry DOI: 10.7270/Q20V8CFN
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)
BDBM50173889
PNG
(CHEMBL3809400)
Show SMILES C=CCn1c2[nH]nc(-c3cnc(s3)-c3cccnc3)c2ccc1=O
Show InChI InChI=1S/C17H13N5OS/c1-2-8-22-14(23)6-5-12-15(20-21-16(12)22)13-10-19-17(24-13)11-4-3-7-18-9-11/h2-7,9-10H,1,8H2,(H,20,21)
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n/an/a 4n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyraseB ATPase activity using linear pBR322 DNA substrate incubated for 30 mins by fluorescence polarization ...


ACS Med Chem Lett 7: 374-8 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00368
BindingDB Entry DOI: 10.7270/Q20R9RB6
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)
BDBM50173875
PNG
(CHEMBL3808756)
Show SMILES CCCn1c2[nH]nc(-c3nc(C(=O)OC)c(s3)-c3cccnc3)c2ccc1=O
Show InChI InChI=1S/C19H17N5O3S/c1-3-9-24-13(25)7-6-12-14(22-23-17(12)24)18-21-15(19(26)27-2)16(28-18)11-5-4-8-20-10-11/h4-8,10H,3,9H2,1-2H3,(H,22,23)
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n/an/a 6n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyraseB ATPase activity using linear pBR322 DNA substrate incubated for 30 mins by fluorescence polarization ...


ACS Med Chem Lett 7: 374-8 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00368
BindingDB Entry DOI: 10.7270/Q20R9RB6
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50122654
PNG
(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Show SMILES CONC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1
Show InChI InChI=1S/C36H31F2N5O4S/c1-41(20-23-10-5-3-6-11-23)21-28-31-33(44)43(26-12-7-4-8-13-26)36(46)42(22-27-29(37)14-9-15-30(27)38)34(31)48-32(28)24-16-18-25(19-17-24)39-35(45)40-47-2/h3-19H,20-22H2,1-2H3,(H2,39,40,45)
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n/an/a 6n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [His5, D-Tyr6]GnRH from GnRHR F309L mutant expressed in COS-7 cells


J Med Chem 49: 6170-6 (2006)


Article DOI: 10.1021/jm060580w
BindingDB Entry DOI: 10.7270/Q20V8CFN
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)
BDBM50173879
PNG
(CHEMBL3810359)
Show SMILES CCCn1c2[nH]nc(-c3cnc(s3)-c3cccnc3)c2ccc1=O
Show InChI InChI=1S/C17H15N5OS/c1-2-8-22-14(23)6-5-12-15(20-21-16(12)22)13-10-19-17(24-13)11-4-3-7-18-9-11/h3-7,9-10H,2,8H2,1H3,(H,20,21)
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n/an/a 6n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyraseB ATPase activity using linear pBR322 DNA substrate incubated for 30 mins by fluorescence polarization ...


ACS Med Chem Lett 7: 374-8 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00368
BindingDB Entry DOI: 10.7270/Q20R9RB6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50122655
PNG
(CHEMBL280212 | N-(4-(1-(2,6-difluorobenzyl)-5-((be...)
Show SMILES CN(Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(NC(=O)c2ccccc2)cc1)Cc1ccccc1
Show InChI InChI=1S/C41H32F2N4O3S/c1-45(24-27-12-5-2-6-13-27)25-33-36-39(49)47(31-16-9-4-10-17-31)41(50)46(26-32-34(42)18-11-19-35(32)43)40(36)51-37(33)28-20-22-30(23-21-28)44-38(48)29-14-7-3-8-15-29/h2-23H,24-26H2,1H3,(H,44,48)
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n/an/a 6n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from GnRHR F272L mutant expressed in COS7 cells


J Med Chem 49: 6170-6 (2006)


Article DOI: 10.1021/jm060580w
BindingDB Entry DOI: 10.7270/Q20V8CFN
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)
BDBM50173720
PNG
(CHEMBL3809947)
Show SMILES CCCn1c2[nH]nc(-c3cnc(s3)-c3ccc(CN4CCOCC4)nc3)c2ccc1=O
Show InChI InChI=1S/C22H24N6O2S/c1-2-7-28-19(29)6-5-17-20(25-26-21(17)28)18-13-24-22(31-18)15-3-4-16(23-12-15)14-27-8-10-30-11-9-27/h3-6,12-13H,2,7-11,14H2,1H3,(H,25,26)
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Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyraseB ATPase activity using linear pBR322 DNA substrate incubated for 30 mins by fluorescence polarization ...


ACS Med Chem Lett 7: 374-8 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00368
BindingDB Entry DOI: 10.7270/Q20R9RB6
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)
BDBM50173718
PNG
(CHEMBL3809821)
Show SMILES CCCn1c2[nH]nc(-c3cnc(s3)-c3ccc(CO)nc3)c2ccc1=O
Show InChI InChI=1S/C18H17N5O2S/c1-2-7-23-15(25)6-5-13-16(21-22-17(13)23)14-9-20-18(26-14)11-3-4-12(10-24)19-8-11/h3-6,8-9,24H,2,7,10H2,1H3,(H,21,22)
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Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyraseB ATPase activity using linear pBR322 DNA substrate incubated for 30 mins by fluorescence polarization ...


ACS Med Chem Lett 7: 374-8 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00368
BindingDB Entry DOI: 10.7270/Q20R9RB6
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)
BDBM50173644
PNG
(CHEMBL3810048)
Show SMILES CCCn1c2[nH]nc(-c3cnc(s3)-c3ccc(C)nc3)c2ccc1=O
Show InChI InChI=1S/C18H17N5OS/c1-3-8-23-15(24)7-6-13-16(21-22-17(13)23)14-10-20-18(25-14)12-5-4-11(2)19-9-12/h4-7,9-10H,3,8H2,1-2H3,(H,21,22)
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Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyraseB ATPase activity using linear pBR322 DNA substrate incubated for 30 mins by fluorescence polarization ...


ACS Med Chem Lett 7: 374-8 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00368
BindingDB Entry DOI: 10.7270/Q20R9RB6
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)
BDBM50173641
PNG
(CHEMBL3810223)
Show SMILES CCCn1c2[nH]nc(-c3cnc(s3)-c3ccc(nc3)N3CCN(C)CC3)c2ccc1=O
Show InChI InChI=1S/C22H25N7OS/c1-3-8-29-19(30)7-5-16-20(25-26-21(16)29)17-14-24-22(31-17)15-4-6-18(23-13-15)28-11-9-27(2)10-12-28/h4-7,13-14H,3,8-12H2,1-2H3,(H,25,26)
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Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyraseB ATPase activity using linear pBR322 DNA substrate incubated for 30 mins by fluorescence polarization ...


ACS Med Chem Lett 7: 374-8 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00368
BindingDB Entry DOI: 10.7270/Q20R9RB6
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)
BDBM50173857
PNG
(CHEMBL3808789)
Show SMILES CCCn1c2[nH]nc(-c3cnc(s3)-c3ccc(nc3)C(=O)NCCN(CC)CC)c2ccc1=O
Show InChI InChI=1S/C24H29N7O2S/c1-4-12-31-20(32)10-8-17-21(28-29-22(17)31)19-15-27-24(34-19)16-7-9-18(26-14-16)23(33)25-11-13-30(5-2)6-3/h7-10,14-15H,4-6,11-13H2,1-3H3,(H,25,33)(H,28,29)
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Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyraseB ATPase activity using linear pBR322 DNA substrate incubated for 30 mins by fluorescence polarization ...


ACS Med Chem Lett 7: 374-8 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00368
BindingDB Entry DOI: 10.7270/Q20R9RB6
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)
BDBM50173823
PNG
(CHEMBL3809278)
Show SMILES CCCn1c2[nH]nc(-c3cnc(s3)-c3ccc(nc3)C(=O)N(C)C)c2ccc1=O
Show InChI InChI=1S/C20H20N6O2S/c1-4-9-26-16(27)8-6-13-17(23-24-18(13)26)15-11-22-19(29-15)12-5-7-14(21-10-12)20(28)25(2)3/h5-8,10-11H,4,9H2,1-3H3,(H,23,24)
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Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyraseB ATPase activity using linear pBR322 DNA substrate incubated for 30 mins by fluorescence polarization ...


ACS Med Chem Lett 7: 374-8 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00368
BindingDB Entry DOI: 10.7270/Q20R9RB6
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)
BDBM50173874
PNG
(CHEMBL3808699)
Show SMILES CCCn1c2[nH]nc(-c3ncc(s3)-c3cccnc3)c2ccc1=O
Show InChI InChI=1S/C17H15N5OS/c1-2-8-22-14(23)6-5-12-15(20-21-16(12)22)17-19-10-13(24-17)11-4-3-7-18-9-11/h3-7,9-10H,2,8H2,1H3,(H,20,21)
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n/an/a 9n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyraseB ATPase activity using linear pBR322 DNA substrate incubated for 30 mins by fluorescence polarization ...


ACS Med Chem Lett 7: 374-8 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00368
BindingDB Entry DOI: 10.7270/Q20R9RB6
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)
BDBM50173723
PNG
(CHEMBL3809816)
Show SMILES CCCn1c2[nH]nc(-c3cnc(s3)-c3ccc(CN(CC)CC)nc3)c2ccc1=O
Show InChI InChI=1S/C22H26N6OS/c1-4-11-28-19(29)10-9-17-20(25-26-21(17)28)18-13-24-22(30-18)15-7-8-16(23-12-15)14-27(5-2)6-3/h7-10,12-13H,4-6,11,14H2,1-3H3,(H,25,26)
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n/an/a 9n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyraseB ATPase activity using linear pBR322 DNA substrate incubated for 30 mins by fluorescence polarization ...


ACS Med Chem Lett 7: 374-8 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00368
BindingDB Entry DOI: 10.7270/Q20R9RB6
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50122652
PNG
(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1
Show InChI InChI=1S/C37H33F2N5O3S/c1-3-40-36(46)41-26-19-17-25(18-20-26)33-29(22-42(2)21-24-11-6-4-7-12-24)32-34(45)44(27-13-8-5-9-14-27)37(47)43(35(32)48-33)23-28-30(38)15-10-16-31(28)39/h4-20H,3,21-23H2,1-2H3,(H2,40,41,46)
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n/an/a 9n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [His5, D-Tyr6]GnRH from GnRHR F309L mutant expressed in COS-7 cells


J Med Chem 49: 6170-6 (2006)


Article DOI: 10.1021/jm060580w
BindingDB Entry DOI: 10.7270/Q20V8CFN
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50122654
PNG
(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Show SMILES CONC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1
Show InChI InChI=1S/C36H31F2N5O4S/c1-41(20-23-10-5-3-6-11-23)21-28-31-33(44)43(26-12-7-4-8-13-26)36(46)42(22-27-29(37)14-9-15-30(27)38)34(31)48-32(28)24-16-18-25(19-17-24)39-35(45)40-47-2/h3-19H,20-22H2,1-2H3,(H2,39,40,45)
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n/an/a 10n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [His5, D-Tyr6]GnRH from GnRHR F309Q mutant expressed in COS7 cells


J Med Chem 49: 6170-6 (2006)


Article DOI: 10.1021/jm060580w
BindingDB Entry DOI: 10.7270/Q20V8CFN
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)
BDBM50173722
PNG
(CHEMBL3809648)
Show SMILES CCCn1c2[nH]nc(-c3cnc(s3)-c3ccc(CN4CCN(C)CC4)nc3)c2ccc1=O
Show InChI InChI=1S/C23H27N7OS/c1-3-8-30-20(31)7-6-18-21(26-27-22(18)30)19-14-25-23(32-19)16-4-5-17(24-13-16)15-29-11-9-28(2)10-12-29/h4-7,13-14H,3,8-12,15H2,1-2H3,(H,26,27)
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Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyraseB ATPase activity using linear pBR322 DNA substrate incubated for 30 mins by fluorescence polarization ...


ACS Med Chem Lett 7: 374-8 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00368
BindingDB Entry DOI: 10.7270/Q20R9RB6
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50122654
PNG
(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Show SMILES CONC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1
Show InChI InChI=1S/C36H31F2N5O4S/c1-41(20-23-10-5-3-6-11-23)21-28-31-33(44)43(26-12-7-4-8-13-26)36(46)42(22-27-29(37)14-9-15-30(27)38)34(31)48-32(28)24-16-18-25(19-17-24)39-35(45)40-47-2/h3-19H,20-22H2,1-2H3,(H2,39,40,45)
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n/an/a 12n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [His5, D-Tyr6]GnRH from GnRHR Y284L mutant expressed in COS7 cells


J Med Chem 49: 6170-6 (2006)


Article DOI: 10.1021/jm060580w
BindingDB Entry DOI: 10.7270/Q20V8CFN
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50122655
PNG
(CHEMBL280212 | N-(4-(1-(2,6-difluorobenzyl)-5-((be...)
Show SMILES CN(Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(NC(=O)c2ccccc2)cc1)Cc1ccccc1
Show InChI InChI=1S/C41H32F2N4O3S/c1-45(24-27-12-5-2-6-13-27)25-33-36-39(49)47(31-16-9-4-10-17-31)41(50)46(26-32-34(42)18-11-19-35(32)43)40(36)51-37(33)28-20-22-30(23-21-28)44-38(48)29-14-7-3-8-15-29/h2-23H,24-26H2,1H3,(H,44,48)
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Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [His5, D-Tyr6]GnRH from GnRHR D302N mutant expressed in COS7 cells


J Med Chem 49: 6170-6 (2006)


Article DOI: 10.1021/jm060580w
BindingDB Entry DOI: 10.7270/Q20V8CFN
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)
BDBM50173876
PNG
(CHEMBL3808760)
Show SMILES CCCn1c2[nH]nc(-c3nc(C(=O)N(C)C)c(s3)-c3cccnc3)c2ccc1=O
Show InChI InChI=1S/C20H20N6O2S/c1-4-10-26-14(27)8-7-13-15(23-24-18(13)26)19-22-16(20(28)25(2)3)17(29-19)12-6-5-9-21-11-12/h5-9,11H,4,10H2,1-3H3,(H,23,24)
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Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyraseB ATPase activity using linear pBR322 DNA substrate incubated for 30 mins by fluorescence polarization ...


ACS Med Chem Lett 7: 374-8 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00368
BindingDB Entry DOI: 10.7270/Q20R9RB6
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)
BDBM50173872
PNG
(CHEMBL3810056)
Show SMILES CCCn1c2[nH]nc(-c3cnc(s3)-c3ccc(nc3)C(=O)NCCN3CCOCC3)c2ccc1=O
Show InChI InChI=1S/C24H27N7O3S/c1-2-8-31-20(32)6-4-17-21(28-29-22(17)31)19-15-27-24(35-19)16-3-5-18(26-14-16)23(33)25-7-9-30-10-12-34-13-11-30/h3-6,14-15H,2,7-13H2,1H3,(H,25,33)(H,28,29)
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Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyraseB ATPase activity using linear pBR322 DNA substrate incubated for 30 mins by fluorescence polarization ...


ACS Med Chem Lett 7: 374-8 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00368
BindingDB Entry DOI: 10.7270/Q20R9RB6
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50122655
PNG
(CHEMBL280212 | N-(4-(1-(2,6-difluorobenzyl)-5-((be...)
Show SMILES CN(Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(NC(=O)c2ccccc2)cc1)Cc1ccccc1
Show InChI InChI=1S/C41H32F2N4O3S/c1-45(24-27-12-5-2-6-13-27)25-33-36-39(49)47(31-16-9-4-10-17-31)41(50)46(26-32-34(42)18-11-19-35(32)43)40(36)51-37(33)28-20-22-30(23-21-28)44-38(48)29-14-7-3-8-15-29/h2-23H,24-26H2,1H3,(H,44,48)
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n/an/a 15n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [His5, D-Tyr6]GnRH from GnRHR D302A mutant expressed in COS7 cells


J Med Chem 49: 6170-6 (2006)


Article DOI: 10.1021/jm060580w
BindingDB Entry DOI: 10.7270/Q20V8CFN
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)
BDBM50173724
PNG
(CHEMBL3809114)
Show SMILES CCCn1c2[nH]nc(-c3cnc(s3)-c3ccc(nc3)C(=O)OC)c2ccc1=O
Show InChI InChI=1S/C19H17N5O3S/c1-3-8-24-15(25)7-5-12-16(22-23-17(12)24)14-10-21-18(28-14)11-4-6-13(20-9-11)19(26)27-2/h4-7,9-10H,3,8H2,1-2H3,(H,22,23)
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n/an/a 15n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyraseB ATPase activity using linear pBR322 DNA substrate incubated for 30 mins by fluorescence polarization ...


ACS Med Chem Lett 7: 374-8 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00368
BindingDB Entry DOI: 10.7270/Q20R9RB6
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)
BDBM50173605
PNG
(CHEMBL3808603)
Show SMILES CCCn1c2[nH]nc(-c3cnc(s3)-c3ccc(nc3)N(C)C)c2ccc1=O
Show InChI InChI=1S/C19H20N6OS/c1-4-9-25-16(26)8-6-13-17(22-23-18(13)25)14-11-21-19(27-14)12-5-7-15(20-10-12)24(2)3/h5-8,10-11H,4,9H2,1-3H3,(H,22,23)
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n/an/a 15n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyraseB ATPase activity using linear pBR322 DNA substrate incubated for 30 mins by fluorescence polarization ...


ACS Med Chem Lett 7: 374-8 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00368
BindingDB Entry DOI: 10.7270/Q20R9RB6
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50196040
PNG
(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Show SMILES CN(Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(NC(=O)NCc2ccccc2)cc1)Cc1ccccc1
Show InChI InChI=1S/C42H35F2N5O3S/c1-47(25-29-14-7-3-8-15-29)26-34-37-39(50)49(32-16-9-4-10-17-32)42(52)48(27-33-35(43)18-11-19-36(33)44)40(37)53-38(34)30-20-22-31(23-21-30)46-41(51)45-24-28-12-5-2-6-13-28/h2-23H,24-27H2,1H3,(H2,45,46,51)
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n/an/a 20n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I-His5, D-Tyr6]GnRH from GnRHR F272L mutant expressed in COS7 cells


J Med Chem 49: 6170-6 (2006)


Article DOI: 10.1021/jm060580w
BindingDB Entry DOI: 10.7270/Q20V8CFN
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)
BDBM50173878
PNG
(CHEMBL3809316)
Show SMILES CCn1c2[nH]nc(-c3cnc(s3)-c3cccnc3)c2ccc1=O
Show InChI InChI=1S/C16H13N5OS/c1-2-21-13(22)6-5-11-14(19-20-15(11)21)12-9-18-16(23-12)10-4-3-7-17-8-10/h3-9H,2H2,1H3,(H,19,20)
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n/an/a 20n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyraseB ATPase activity using linear pBR322 DNA substrate incubated for 30 mins by fluorescence polarization ...


ACS Med Chem Lett 7: 374-8 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00368
BindingDB Entry DOI: 10.7270/Q20R9RB6
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50122655
PNG
(CHEMBL280212 | N-(4-(1-(2,6-difluorobenzyl)-5-((be...)
Show SMILES CN(Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(NC(=O)c2ccccc2)cc1)Cc1ccccc1
Show InChI InChI=1S/C41H32F2N4O3S/c1-45(24-27-12-5-2-6-13-27)25-33-36-39(49)47(31-16-9-4-10-17-31)41(50)46(26-32-34(42)18-11-19-35(32)43)40(36)51-37(33)28-20-22-30(23-21-28)44-38(48)29-14-7-3-8-15-29/h2-23H,24-26H2,1H3,(H,44,48)
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n/an/a 20n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [His5, D-Tyr6]GnRH from GnRHR Y290L mutant expressed in COS7 cells


J Med Chem 49: 6170-6 (2006)


Article DOI: 10.1021/jm060580w
BindingDB Entry DOI: 10.7270/Q20V8CFN
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50122655
PNG
(CHEMBL280212 | N-(4-(1-(2,6-difluorobenzyl)-5-((be...)
Show SMILES CN(Cc1c(sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c12)-c1ccc(NC(=O)c2ccccc2)cc1)Cc1ccccc1
Show InChI InChI=1S/C41H32F2N4O3S/c1-45(24-27-12-5-2-6-13-27)25-33-36-39(49)47(31-16-9-4-10-17-31)41(50)46(26-32-34(42)18-11-19-35(32)43)40(36)51-37(33)28-20-22-30(23-21-28)44-38(48)29-14-7-3-8-15-29/h2-23H,24-26H2,1H3,(H,44,48)
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n/an/a 22n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [His5, D-Tyr6]GnRH from GnRHR L300A mutant expressed in COS7 cells


J Med Chem 49: 6170-6 (2006)


Article DOI: 10.1021/jm060580w
BindingDB Entry DOI: 10.7270/Q20V8CFN
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)
BDBM50173719
PNG
(CHEMBL3808784)
Show SMILES CCCn1c2[nH]nc(-c3cnc(s3)-c3ccc(nc3)C(C)C)c2ccc1=O
Show InChI InChI=1S/C20H21N5OS/c1-4-9-25-17(26)8-6-14-18(23-24-19(14)25)16-11-22-20(27-16)13-5-7-15(12(2)3)21-10-13/h5-8,10-12H,4,9H2,1-3H3,(H,23,24)
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n/an/a 23n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyraseB ATPase activity using linear pBR322 DNA substrate incubated for 30 mins by fluorescence polarization ...


ACS Med Chem Lett 7: 374-8 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00368
BindingDB Entry DOI: 10.7270/Q20R9RB6
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50122652
PNG
(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1
Show InChI InChI=1S/C37H33F2N5O3S/c1-3-40-36(46)41-26-19-17-25(18-20-26)33-29(22-42(2)21-24-11-6-4-7-12-24)32-34(45)44(27-13-8-5-9-14-27)37(47)43(35(32)48-33)23-28-30(38)15-10-16-31(28)39/h4-20H,3,21-23H2,1-2H3,(H2,40,41,46)
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n/an/a 23n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [His5, D-Tyr6]GnRH from GnRHR F313L mutant expressed in COS7 cells


J Med Chem 49: 6170-6 (2006)


Article DOI: 10.1021/jm060580w
BindingDB Entry DOI: 10.7270/Q20V8CFN
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50122654
PNG
(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Show SMILES CONC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1
Show InChI InChI=1S/C36H31F2N5O4S/c1-41(20-23-10-5-3-6-11-23)21-28-31-33(44)43(26-12-7-4-8-13-26)36(46)42(22-27-29(37)14-9-15-30(27)38)34(31)48-32(28)24-16-18-25(19-17-24)39-35(45)40-47-2/h3-19H,20-22H2,1-2H3,(H2,39,40,45)
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n/an/a 24n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [His5, D-Tyr6]GnRH from GnRHR H306A mutant expressed in COS7 cells


J Med Chem 49: 6170-6 (2006)


Article DOI: 10.1021/jm060580w
BindingDB Entry DOI: 10.7270/Q20V8CFN
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50122654
PNG
(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Show SMILES CONC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1
Show InChI InChI=1S/C36H31F2N5O4S/c1-41(20-23-10-5-3-6-11-23)21-28-31-33(44)43(26-12-7-4-8-13-26)36(46)42(22-27-29(37)14-9-15-30(27)38)34(31)48-32(28)24-16-18-25(19-17-24)39-35(45)40-47-2/h3-19H,20-22H2,1-2H3,(H2,39,40,45)
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n/an/a 24n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [His5, D-Tyr6]GnRH from GnRHR F313L mutant expressed in COS7 cells


J Med Chem 49: 6170-6 (2006)


Article DOI: 10.1021/jm060580w
BindingDB Entry DOI: 10.7270/Q20V8CFN
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))
BDBM50122652
PNG
(1-(4-(1-(2,6-difluorobenzyl)-5-((benzyl(methyl)ami...)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1sc2n(Cc3c(F)cccc3F)c(=O)n(-c3ccccc3)c(=O)c2c1CN(C)Cc1ccccc1
Show InChI InChI=1S/C37H33F2N5O3S/c1-3-40-36(46)41-26-19-17-25(18-20-26)33-29(22-42(2)21-24-11-6-4-7-12-24)32-34(45)44(27-13-8-5-9-14-27)37(47)43(35(32)48-33)23-28-30(38)15-10-16-31(28)39/h4-20H,3,21-23H2,1-2H3,(H2,40,41,46)
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n/an/a 26n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [His5, D-Tyr6]GnRH from GnRHR M24I mutant expressed in COS7 cells


J Med Chem 49: 6170-6 (2006)


Article DOI: 10.1021/jm060580w
BindingDB Entry DOI: 10.7270/Q20V8CFN
More data for this
Ligand-Target Pair
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