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Compile Data Set for Download or QSAR

Found 83 hits with Last Name = 'savage' and Initial = 'vj'   
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
DNA gyrase subunit B


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50463770
PNG
(CHEMBL4238919)
Show SMILES CNc1cc(F)cc2c1[nH]c1nc(CNC(=O)c3cocn3)nc(N3CCC(N)C3)c21
Show InChI InChI=1S/C20H21FN8O2/c1-23-13-5-10(21)4-12-16-18(28-17(12)13)26-15(6-24-20(30)14-8-31-9-25-14)27-19(16)29-3-2-11(22)7-29/h4-5,8-9,11,23H,2-3,6-7,22H2,1H3,(H,24,30)(H,26,27,28)
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Redx Pharma

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis DNA gyrase activity


Bioorg Med Chem Lett 28: 2998-3003 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.049
BindingDB Entry DOI: 10.7270/Q2G73HD3
More data for this
Ligand-Target Pair
tRNA (guanine-N(1)-)-methyltransferase


(Escherichia coli (strain K12))
BDBM50613268
PNG
(CHEMBL5275681)
Show SMILES CC(C)(CNc1ccc(cn1)C(N)=O)c1cccc(CN)c1
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More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50463771
PNG
(CHEMBL4250651)
Show SMILES CNc1cc(F)cc2c1[nH]c1nc(CNC(=O)c3cnco3)nc(N3CCC(N)C3)c21
Show InChI InChI=1S/C20H21FN8O2/c1-23-13-5-10(21)4-12-16-18(28-17(12)13)26-15(7-25-20(30)14-6-24-9-31-14)27-19(16)29-3-2-11(22)8-29/h4-6,9,11,23H,2-3,7-8,22H2,1H3,(H,25,30)(H,26,27,28)
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Redx Pharma

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis DNA gyrase activity


Bioorg Med Chem Lett 28: 2998-3003 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.049
BindingDB Entry DOI: 10.7270/Q2G73HD3
More data for this
Ligand-Target Pair
tRNA (guanine-N(1)-)-methyltransferase


(Escherichia coli (strain K12))
BDBM50613266
PNG
(CHEMBL5268562)
Show SMILES NC(=O)c1ccc(NC2(CC2)c2cccc(c2)N2CCNCC2)nc1
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More data for this
Ligand-Target Pair
tRNA (guanine-N(1)-)-methyltransferase


(Escherichia coli (strain K12))
BDBM50613282
PNG
(CHEMBL5270264)
Show SMILES NC(=O)c1cnc2n(CC(=O)N3CCNCC3)c(cc2c1)C1CC1
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More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50226181
PNG
((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...)
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] |r|
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-/m1/s1
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Redx Pharma

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis DNA gyrase ATPase activity


Bioorg Med Chem Lett 28: 2998-3003 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.049
BindingDB Entry DOI: 10.7270/Q2G73HD3
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50463770
PNG
(CHEMBL4238919)
Show SMILES CNc1cc(F)cc2c1[nH]c1nc(CNC(=O)c3cocn3)nc(N3CCC(N)C3)c21
Show InChI InChI=1S/C20H21FN8O2/c1-23-13-5-10(21)4-12-16-18(28-17(12)13)26-15(6-24-20(30)14-8-31-9-25-14)27-19(16)29-3-2-11(22)7-29/h4-5,8-9,11,23H,2-3,6-7,22H2,1H3,(H,24,30)(H,26,27,28)
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Redx Pharma

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis DNA gyrase ATPase activity


Bioorg Med Chem Lett 28: 2998-3003 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.049
BindingDB Entry DOI: 10.7270/Q2G73HD3
More data for this
Ligand-Target Pair
tRNA (guanine-N(1)-)-methyltransferase


(Escherichia coli (strain K12))
BDBM50613267
PNG
(CHEMBL5276443)
Show SMILES CC(C)(CNc1ccc(cn1)C(N)=O)c1ccccc1
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More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))
BDBM50600005
PNG
(CHEMBL5195268)
Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2cc(ccc2ccc1=O)C#N |r|
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Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128648
BindingDB Entry DOI: 10.7270/Q2MC942Z
More data for this
Ligand-Target Pair
tRNA (guanine-N(1)-)-methyltransferase


(Escherichia coli (strain K12))
BDBM50613281
PNG
(CHEMBL5270195)
Show SMILES [H][C@]12CC[C@]([H])(C[C@H](C1)N(C)C(=O)Cn1c(cc3cc(cnc13)C(N)=O)C1CC1)N2 |r|
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More data for this
Ligand-Target Pair
tRNA (guanine-N(1)-)-methyltransferase


(Escherichia coli (strain K12))
BDBM50613279
PNG
(CHEMBL5290255)
Show SMILES CN(C1CCNCC1)C(=O)Cn1c(cc2cc(cnc12)C(N)=O)C1CC1
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More data for this
Ligand-Target Pair
tRNA (guanine-N(1)-)-methyltransferase


(Escherichia coli (strain K12))
BDBM50613283
PNG
(CHEMBL5271729)
Show SMILES CN1CCN(CC1)C(=O)Cn1c(cc2cc(cnc12)C(N)=O)C1CC1
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More data for this
Ligand-Target Pair
tRNA (guanine-N(1)-)-methyltransferase


(Escherichia coli (strain K12))
BDBM50613280
PNG
(CHEMBL5276347)
Show SMILES CN(C1CCN(C)CC1)C(=O)Cn1c(cc2cc(cnc12)C(N)=O)C1CC1
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More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))
BDBM21690
PNG
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
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Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128648
BindingDB Entry DOI: 10.7270/Q2MC942Z
More data for this
Ligand-Target Pair
tRNA (guanine-N(1)-)-methyltransferase


(Escherichia coli (strain K12))
BDBM50613269
PNG
(CHEMBL5291180)
Show SMILES CC(C)(CNc1ccc(cn1)C(N)=O)c1cccc(c1)N1CCNCC1
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More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))
BDBM50600003
PNG
(CHEMBL5201228)
Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2nc(OC)ccc2ccc1=O |r|
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Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128648
BindingDB Entry DOI: 10.7270/Q2MC942Z
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50463771
PNG
(CHEMBL4250651)
Show SMILES CNc1cc(F)cc2c1[nH]c1nc(CNC(=O)c3cnco3)nc(N3CCC(N)C3)c21
Show InChI InChI=1S/C20H21FN8O2/c1-23-13-5-10(21)4-12-16-18(28-17(12)13)26-15(7-25-20(30)14-6-24-9-31-14)27-19(16)29-3-2-11(22)8-29/h4-6,9,11,23H,2-3,7-8,22H2,1H3,(H,25,30)(H,26,27,28)
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Redx Pharma

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis DNA gyrase ATPase activity


Bioorg Med Chem Lett 28: 2998-3003 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.049
BindingDB Entry DOI: 10.7270/Q2G73HD3
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))
BDBM50050549
PNG
(GSK2140944 | Gepotidacin)
Show SMILES O=c1ccc2ncc(=O)n3[C@H](CN4CCC(CC4)NCc4cc5CCCOc5cn4)Cn1c23 |r|
Show InChI InChI=1S/C24H28N6O3/c31-22-4-3-20-24-29(22)15-19(30(24)23(32)13-27-20)14-28-7-5-17(6-8-28)25-11-18-10-16-2-1-9-33-21(16)12-26-18/h3-4,10,12-13,17,19,25H,1-2,5-9,11,14-15H2/t19-/m1/s1
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Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128648
BindingDB Entry DOI: 10.7270/Q2MC942Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA gyrase subunit B


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50226181
PNG
((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...)
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] |r|
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-/m1/s1
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Redx Pharma

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis DNA gyrase activity


Bioorg Med Chem Lett 28: 2998-3003 (2018)


Article DOI: 10.1016/j.bmcl.2018.05.049
BindingDB Entry DOI: 10.7270/Q2G73HD3
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))
BDBM50600006
PNG
(CHEMBL5172158)
Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2cc(cnc2ccc1=O)C#N |r|
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Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128648
BindingDB Entry DOI: 10.7270/Q2MC942Z
More data for this
Ligand-Target Pair
tRNA (guanine-N(1)-)-methyltransferase


(Escherichia coli (strain K12))
BDBM50613284
PNG
(CHEMBL5269867)
Show SMILES CC(C)[C@H]1CN(CCN1)C(=O)Cn1c(cc2cc(cnc12)C(N)=O)C1CC1 |r|
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More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))
BDBM50600007
PNG
(CHEMBL5182200)
Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2SCC(=O)Nc2n1)NCCn1c2nc(OC)ccc2ccc1=O |r|
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Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128648
BindingDB Entry DOI: 10.7270/Q2MC942Z
More data for this
Ligand-Target Pair
tRNA (guanine-N(1)-)-methyltransferase


(Escherichia coli (strain K12))
BDBM225684
PNG
(GTC000457A)
Show SMILES NC(=O)c1ccc(NC2CCCC2)nc1
Show InChI InChI=1S/C11H15N3O/c12-11(15)8-5-6-10(13-7-8)14-9-3-1-2-4-9/h5-7,9H,1-4H2,(H2,12,15)(H,13,14)
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More data for this
Ligand-Target Pair
tRNA (guanine-N(1)-)-methyltransferase


(Escherichia coli (strain K12))
BDBM50613285
PNG
(CHEMBL5277663)
Show SMILES NC(=O)c1cnc2n(CC(=O)N3CCNC(=O)C3)c(cc2c1)C1CC1
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Citation and Details
More data for this
Ligand-Target Pair
tRNA (guanine-N(1)-)-methyltransferase


(Escherichia coli (strain K12))
BDBM50613270
PNG
(CHEMBL5288117)
Show SMILES CC(C)(CNc1ccc(cn1)C(N)=O)c1cccc(NC2CNC2)c1
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More data for this
Ligand-Target Pair
tRNA (guanine-N(1)-)-methyltransferase


(Escherichia coli (strain K12))
BDBM50613257
PNG
(CHEMBL5268458)
Show SMILES CC(C)(C)CNc1ccc(cn1)C(N)=O
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Citation and Details
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))
BDBM50600004
PNG
(CHEMBL5184104)
Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2cc(OC)cnc2ccc1=O |r|
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Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128648
BindingDB Entry DOI: 10.7270/Q2MC942Z
More data for this
Ligand-Target Pair
tRNA (guanine-N(1)-)-methyltransferase


(Escherichia coli (strain K12))
BDBM50613265
PNG
(CHEMBL5279532)
Show SMILES NC(=O)c1ccc(NC2(CC2)c2ccccc2)nc1
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More data for this
Ligand-Target Pair
tRNA (guanine-N(1)-)-methyltransferase


(Escherichia coli (strain K12))
BDBM50613278
PNG
(CHEMBL5287055)
Show SMILES NCc1ccc(Cn2c(cc3cc(cnc23)C(N)=O)C2CC2)cc1
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More data for this
Ligand-Target Pair
tRNA (guanine-N(1)-)-methyltransferase


(Escherichia coli (strain K12))
BDBM50613260
PNG
(CHEMBL5289815)
Show SMILES NC(=O)c1ccc(NCc2cccc(c2)N2CCNCC2)nc1
PDB

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More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))
BDBM50600009
PNG
(CHEMBL5177076)
Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCCn1c2cc(cnc2ccc1=O)C#N |r|
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n/an/a 340n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128648
BindingDB Entry DOI: 10.7270/Q2MC942Z
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))
BDBM50600008
PNG
(CHEMBL5198597)
Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCCn1c2cc(OC)cnc2ccc1=O |r|
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n/an/a 460n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128648
BindingDB Entry DOI: 10.7270/Q2MC942Z
More data for this
Ligand-Target Pair
tRNA (guanine-N(1)-)-methyltransferase


(Escherichia coli (strain K12))
BDBM50613277
PNG
(CHEMBL5288124)
Show SMILES NC(=O)c1cnc2n(CC(=O)N3CCNCC3)ccc2c1
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n/an/a 800n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
tRNA (guanine-N(1)-)-methyltransferase


(Escherichia coli (strain K12))
BDBM50613276
PNG
(CHEMBL5274574)
Show SMILES CN(C1CCNCC1)C(=O)Cn1ccc2cc(cnc12)C(N)=O
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n/an/a 830n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
tRNA (guanine-N(1)-)-methyltransferase


(Escherichia coli (strain K12))
BDBM50613262
PNG
(CHEMBL5283911)
Show SMILES C[C@H](Nc1ccc(cn1)C(N)=O)c1ccccc1 |r|
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n/an/a 1.30E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
tRNA (guanine-N(1)-)-methyltransferase


(Escherichia coli (strain K12))
BDBM50613258
PNG
(CHEMBL5268916)
Show SMILES NCc1cccc(CNc2ccc(cn2)C(N)=O)c1
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n/an/a 1.40E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
tRNA (guanine-N(1)-)-methyltransferase


(Escherichia coli (strain K12))
BDBM50613272
PNG
(CHEMBL5281871)
Show SMILES NCc1ccc(Cn2ccc3cc(cnc23)C(N)=O)cc1
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n/an/a 1.90E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
tRNA (guanine-N(1)-)-methyltransferase


(Escherichia coli (strain K12))
BDBM50613264
PNG
(CHEMBL5283956)
Show SMILES CC(C)(Nc1ccc(cn1)C(N)=O)c1ccccc1
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n/an/a 2.10E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
tRNA (guanine-N(1)-)-methyltransferase


(Escherichia coli (strain K12))
BDBM50613259
PNG
(CHEMBL5290159)
Show SMILES NCc1ccc(CNc2ccc(cn2)C(N)=O)cc1
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n/an/a 2.30E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50600011
PNG
(CHEMBL5205047)
Show SMILES [H][C@@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2nc(OC)ccc2ccc1=O |r|
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n/an/a 3.00E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128648
BindingDB Entry DOI: 10.7270/Q2MC942Z
More data for this
Ligand-Target Pair
tRNA (guanine-N(1)-)-methyltransferase


(Escherichia coli (strain K12))
BDBM225672
PNG
(GTC000444A)
Show SMILES NC(=O)c1ccc(NCc2ccccc2)nc1
Show InChI InChI=1S/C13H13N3O/c14-13(17)11-6-7-12(16-9-11)15-8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H2,14,17)(H,15,16)
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n/an/a 3.20E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50600007
PNG
(CHEMBL5182200)
Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2SCC(=O)Nc2n1)NCCn1c2nc(OC)ccc2ccc1=O |r|
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n/an/a 4.00E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128648
BindingDB Entry DOI: 10.7270/Q2MC942Z
More data for this
Ligand-Target Pair
tRNA (guanine-N(1)-)-methyltransferase


(Escherichia coli (strain K12))
BDBM50613274
PNG
(CHEMBL5266230)
Show SMILES NC(=O)c1cnc2n(CC(=O)NC3CNC3)ccc2c1
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n/an/a 4.50E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50600003
PNG
(CHEMBL5201228)
Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2nc(OC)ccc2ccc1=O |r|
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n/an/a 5.00E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128648
BindingDB Entry DOI: 10.7270/Q2MC942Z
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50600010
PNG
(CHEMBL5184352)
Show SMILES [H][C@]12C[C@@H](CC[C@@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2nc(OC)ccc2ccc1=O |r|
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n/an/a 5.00E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128648
BindingDB Entry DOI: 10.7270/Q2MC942Z
More data for this
Ligand-Target Pair
tRNA (guanine-N(1)-)-methyltransferase


(Escherichia coli (strain K12))
BDBM50613275
PNG
(CHEMBL5266578)
Show SMILES NC(=O)c1cnc2n(CC(=O)NC3CCNCC3)ccc2c1
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n/an/a 6.50E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50600018
PNG
(CHEMBL5199405)
Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCCn1c2cc(ccc2ccc1=O)C#N |r|
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n/an/a 7.00E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128648
BindingDB Entry DOI: 10.7270/Q2MC942Z
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50600013
PNG
(CHEMBL5194618)
Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2nc(OC)ccc2ncc1=O |r|
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n/an/a 7.00E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128648
BindingDB Entry DOI: 10.7270/Q2MC942Z
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50600014
PNG
(CHEMBL5172094)
Show SMILES [H][C@]12C[C@H](CC[C@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2nc(OC)cnc2ccc1=O |r|
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n/an/a 9.00E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128648
BindingDB Entry DOI: 10.7270/Q2MC942Z
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50600012
PNG
(CHEMBL5190832)
Show SMILES [H][C@@]12C[C@@H](CC[C@@]1([H])N(C(=O)O2)c1ccc2OCC(=O)Nc2n1)NCCn1c2nc(OC)ccc2ccc1=O |r|
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n/an/a 1.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128648
BindingDB Entry DOI: 10.7270/Q2MC942Z
More data for this
Ligand-Target Pair
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