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PubMed code 26787274

Compile data set for download or QSAR
Found 40 hits of Enzyme Inhibition Constant Data   
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...)		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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n/an/a 46n/an/an/an/an/an/a



Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of DNA supercoiling after 30 mins by electrophoresis

Bioorg Med Chem 24: 877-85 (2016)


Article DOI: 10.1016/j.bmc.2016.01.011
BindingDB Entry DOI: 10.7270/Q2MP5682
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50500632
PNG
(CHEMBL3752152)
Show SMILES Cc1ccc2nc3ccccc3c(Nc3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3)c2c1
Show InChI InChI=1S/C26H20ClN3O2S/c1-17-6-15-25-23(16-17)26(22-4-2-3-5-24(22)29-25)28-19-9-11-20(12-10-19)30-33(31,32)21-13-7-18(27)8-14-21/h2-16,30H,1H3,(H,28,29)
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n/an/a 5.21E+3n/an/an/an/an/an/a



Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of DNA supercoiling after 30 mins by electrophoresis

Bioorg Med Chem 24: 877-85 (2016)


Article DOI: 10.1016/j.bmc.2016.01.011
BindingDB Entry DOI: 10.7270/Q2MP5682
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50500643
PNG
(CHEMBL3752188)
Show SMILES Cc1ccc2nc3ccccc3c(Nc3ccc(NS(=O)(=O)c4ccccc4)cc3)c2c1
Show InChI InChI=1S/C26H21N3O2S/c1-18-11-16-25-23(17-18)26(22-9-5-6-10-24(22)28-25)27-19-12-14-20(15-13-19)29-32(30,31)21-7-3-2-4-8-21/h2-17,29H,1H3,(H,27,28)
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n/an/a 5.86E+3n/an/an/an/an/an/a



Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of DNA supercoiling after 30 mins by electrophoresis

Bioorg Med Chem 24: 877-85 (2016)


Article DOI: 10.1016/j.bmc.2016.01.011
BindingDB Entry DOI: 10.7270/Q2MP5682
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50500641
PNG
(CHEMBL3754465)
Show SMILES Cc1ccc2nc3ccccc3c(Nc3ccc(NC(=S)Nc4ccccc4)cc3)c2c1
Show InChI InChI=1S/C27H22N4S/c1-18-11-16-25-23(17-18)26(22-9-5-6-10-24(22)31-25)28-20-12-14-21(15-13-20)30-27(32)29-19-7-3-2-4-8-19/h2-17H,1H3,(H,28,31)(H2,29,30,32)
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n/an/a 6.30E+3n/an/an/an/an/an/a



Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of DNA supercoiling after 30 mins by electrophoresis

Bioorg Med Chem 24: 877-85 (2016)


Article DOI: 10.1016/j.bmc.2016.01.011
BindingDB Entry DOI: 10.7270/Q2MP5682
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50500639
PNG
(CHEMBL3754191)
Show SMILES [O-][N+](=O)c1ccc(NC(=O)Nc2ccc(Nc3c4ccccc4nc4ccc(Cl)cc34)cc2)cc1
Show InChI InChI=1S/C26H18ClN5O3/c27-16-5-14-24-22(15-16)25(21-3-1-2-4-23(21)31-24)28-17-6-8-18(9-7-17)29-26(33)30-19-10-12-20(13-11-19)32(34)35/h1-15H,(H,28,31)(H2,29,30,33)
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n/an/a 7.30E+3n/an/an/an/an/an/a



Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of DNA supercoiling after 30 mins by electrophoresis

Bioorg Med Chem 24: 877-85 (2016)


Article DOI: 10.1016/j.bmc.2016.01.011
BindingDB Entry DOI: 10.7270/Q2MP5682
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50500627
PNG
(CHEMBL3752277)
Show SMILES Cc1ccc2nc3ccccc3c(Nc3ccc(NC(=O)Nc4ccc(cc4)[N+]([O-])=O)cc3)c2c1
Show InChI InChI=1S/C27H21N5O3/c1-17-6-15-25-23(16-17)26(22-4-2-3-5-24(22)31-25)28-18-7-9-19(10-8-18)29-27(33)30-20-11-13-21(14-12-20)32(34)35/h2-16H,1H3,(H,28,31)(H2,29,30,33)
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n/an/a 7.40E+3n/an/an/an/an/an/a



Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of DNA supercoiling after 30 mins by electrophoresis

Bioorg Med Chem 24: 877-85 (2016)


Article DOI: 10.1016/j.bmc.2016.01.011
BindingDB Entry DOI: 10.7270/Q2MP5682
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50500619
PNG
(CHEMBL3752450)
Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C25H17ClN4O4S/c26-16-5-14-24-22(15-16)25(21-3-1-2-4-23(21)28-24)27-17-6-8-18(9-7-17)29-35(33,34)20-12-10-19(11-13-20)30(31)32/h1-15,29H,(H,27,28)
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n/an/a 8.10E+3n/an/an/an/an/an/a



Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of DNA supercoiling after 30 mins by electrophoresis

Bioorg Med Chem 24: 877-85 (2016)


Article DOI: 10.1016/j.bmc.2016.01.011
BindingDB Entry DOI: 10.7270/Q2MP5682
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50500637
PNG
(CHEMBL3754757)
Show SMILES S=C(Nc1ccccc1)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1
Show InChI InChI=1S/C26H20N4S/c31-26(28-18-8-2-1-3-9-18)29-20-16-14-19(15-17-20)27-25-21-10-4-6-12-23(21)30-24-13-7-5-11-22(24)25/h1-17H,(H,27,30)(H2,28,29,31)
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n/an/a 8.20E+3n/an/an/an/an/an/a



Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of DNA supercoiling after 30 mins by electrophoresis

Bioorg Med Chem 24: 877-85 (2016)


Article DOI: 10.1016/j.bmc.2016.01.011
BindingDB Entry DOI: 10.7270/Q2MP5682
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50500634
PNG
(CHEMBL3754554)
Show SMILES Cc1ccc2nc3ccccc3c(Nc3ccc(NS(=O)(=O)c4ccc(cc4)[N+]([O-])=O)cc3)c2c1
Show InChI InChI=1S/C26H20N4O4S/c1-17-6-15-25-23(16-17)26(22-4-2-3-5-24(22)28-25)27-18-7-9-19(10-8-18)29-35(33,34)21-13-11-20(12-14-21)30(31)32/h2-16,29H,1H3,(H,27,28)
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n/an/a 8.34E+3n/an/an/an/an/an/a



Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of DNA supercoiling after 30 mins by electrophoresis

Bioorg Med Chem 24: 877-85 (2016)


Article DOI: 10.1016/j.bmc.2016.01.011
BindingDB Entry DOI: 10.7270/Q2MP5682
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50500631
PNG
(CHEMBL3752620)
Show SMILES Clc1ccc(NC(=S)Nc2ccc(Nc3c4ccccc4nc4ccccc34)cc2)cc1
Show InChI InChI=1S/C26H19ClN4S/c27-17-9-11-19(12-10-17)29-26(32)30-20-15-13-18(14-16-20)28-25-21-5-1-3-7-23(21)31-24-8-4-2-6-22(24)25/h1-16H,(H,28,31)(H2,29,30,32)
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n/an/a 8.40E+3n/an/an/an/an/an/a



Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of DNA supercoiling after 30 mins by electrophoresis

Bioorg Med Chem 24: 877-85 (2016)


Article DOI: 10.1016/j.bmc.2016.01.011
BindingDB Entry DOI: 10.7270/Q2MP5682
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50500618
PNG
(CHEMBL3752724)
Show SMILES Clc1ccc2nc3ccccc3c(Nc3ccc(NS(=O)(=O)c4ccccc4)cc3)c2c1
Show InChI InChI=1S/C25H18ClN3O2S/c26-17-10-15-24-22(16-17)25(21-8-4-5-9-23(21)28-24)27-18-11-13-19(14-12-18)29-32(30,31)20-6-2-1-3-7-20/h1-16,29H,(H,27,28)
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n/an/a 9.20E+3n/an/an/an/an/an/a



Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of DNA supercoiling after 30 mins by electrophoresis

Bioorg Med Chem 24: 877-85 (2016)


Article DOI: 10.1016/j.bmc.2016.01.011
BindingDB Entry DOI: 10.7270/Q2MP5682
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50500635
PNG
(CHEMBL3752318)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1
Show InChI InChI=1S/C26H21N3O2S/c1-18-10-16-21(17-11-18)32(30,31)29-20-14-12-19(13-15-20)27-26-22-6-2-4-8-24(22)28-25-9-5-3-7-23(25)26/h2-17,29H,1H3,(H,27,28)
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n/an/a 9.30E+3n/an/an/an/an/an/a



Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of DNA supercoiling after 30 mins by electrophoresis

Bioorg Med Chem 24: 877-85 (2016)


Article DOI: 10.1016/j.bmc.2016.01.011
BindingDB Entry DOI: 10.7270/Q2MP5682
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50500615
PNG
(CHEMBL3753841)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccc(C)cc23)cc1
Show InChI InChI=1S/C27H23N3O2S/c1-18-7-14-22(15-8-18)33(31,32)30-21-12-10-20(11-13-21)28-27-23-5-3-4-6-25(23)29-26-16-9-19(2)17-24(26)27/h3-17,30H,1-2H3,(H,28,29)
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n/an/a 9.80E+3n/an/an/an/an/an/a



Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of DNA supercoiling after 30 mins by electrophoresis

Bioorg Med Chem 24: 877-85 (2016)


Article DOI: 10.1016/j.bmc.2016.01.011
BindingDB Entry DOI: 10.7270/Q2MP5682
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50500648
PNG
(CHEMBL3753342)
Show SMILES Clc1ccc(NC(=O)Nc2ccc(Nc3c4ccccc4nc4ccccc34)cc2)cc1
Show InChI InChI=1S/C26H19ClN4O/c27-17-9-11-19(12-10-17)29-26(32)30-20-15-13-18(14-16-20)28-25-21-5-1-3-7-23(21)31-24-8-4-2-6-22(24)25/h1-16H,(H,28,31)(H2,29,30,32)
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n/an/a 1.04E+4n/an/an/an/an/an/a



Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of DNA supercoiling after 30 mins by electrophoresis

Bioorg Med Chem 24: 877-85 (2016)


Article DOI: 10.1016/j.bmc.2016.01.011
BindingDB Entry DOI: 10.7270/Q2MP5682
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50500633
PNG
(CHEMBL3753770)
Show SMILES Cc1ccc2nc3ccccc3c(Nc3ccc(NC(=S)Nc4ccc(Cl)cc4)cc3)c2c1
Show InChI InChI=1S/C27H21ClN4S/c1-17-6-15-25-23(16-17)26(22-4-2-3-5-24(22)32-25)29-19-11-13-21(14-12-19)31-27(33)30-20-9-7-18(28)8-10-20/h2-16H,1H3,(H,29,32)(H2,30,31,33)
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n/an/a 1.12E+4n/an/an/an/an/an/a



Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of DNA supercoiling after 30 mins by electrophoresis

Bioorg Med Chem 24: 877-85 (2016)


Article DOI: 10.1016/j.bmc.2016.01.011
BindingDB Entry DOI: 10.7270/Q2MP5682
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50366824
PNG
(Avelox | MOXIFLOXACIN | Moxifl-oxacin)
Show SMILES COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c1n(cc(C(O)=O)c2=O)C1CC1 |r|
Show InChI InChI=1S/C21H24FN3O4/c1-29-20-17-13(19(26)14(21(27)28)9-25(17)12-4-5-12)7-15(22)18(20)24-8-11-3-2-6-23-16(11)10-24/h7,9,11-12,16,23H,2-6,8,10H2,1H3,(H,27,28)/t11-,16+/m0/s1
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n/an/a 1.12E+4n/an/an/an/an/an/a



Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of DNA supercoiling after 30 mins by electrophoresis

Bioorg Med Chem 24: 877-85 (2016)


Article DOI: 10.1016/j.bmc.2016.01.011
BindingDB Entry DOI: 10.7270/Q2MP5682
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
DNA gyrase subunit B


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50500638
PNG
(CHEMBL3753253)
Show SMILES Cc1ccc2nc3ccccc3c(Nc3ccc(NC(=O)Nc4ccc(Cl)cc4)cc3)c2c1
Show InChI InChI=1S/C27H21ClN4O/c1-17-6-15-25-23(16-17)26(22-4-2-3-5-24(22)32-25)29-19-11-13-21(14-12-19)31-27(33)30-20-9-7-18(28)8-10-20/h2-16H,1H3,(H,29,32)(H2,30,31,33)
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n/an/a 1.14E+4n/an/an/an/an/an/a



Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of DNA supercoiling after 30 mins by electrophoresis

Bioorg Med Chem 24: 877-85 (2016)


Article DOI: 10.1016/j.bmc.2016.01.011
BindingDB Entry DOI: 10.7270/Q2MP5682
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50500629
PNG
(CHEMBL3754374)
Show SMILES Clc1ccc(NC(=O)Nc2ccc(Nc3c4ccccc4nc4ccc(Cl)cc34)cc2)cc1
Show InChI InChI=1S/C26H18Cl2N4O/c27-16-5-8-19(9-6-16)30-26(33)31-20-12-10-18(11-13-20)29-25-21-3-1-2-4-23(21)32-24-14-7-17(28)15-22(24)25/h1-15H,(H,29,32)(H2,30,31,33)
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n/an/a 1.18E+4n/an/an/an/an/an/a



Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of DNA supercoiling after 30 mins by electrophoresis

Bioorg Med Chem 24: 877-85 (2016)


Article DOI: 10.1016/j.bmc.2016.01.011
BindingDB Entry DOI: 10.7270/Q2MP5682
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50500649
PNG
(CHEMBL3753557)
Show SMILES Clc1ccc(cc1)S(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C25H17Cl2N3O2S/c26-16-5-12-20(13-6-16)33(31,32)30-19-10-8-18(9-11-19)28-25-21-3-1-2-4-23(21)29-24-14-7-17(27)15-22(24)25/h1-15,30H,(H,28,29)
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n/an/a 1.24E+4n/an/an/an/an/an/a



Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of DNA supercoiling after 30 mins by electrophoresis

Bioorg Med Chem 24: 877-85 (2016)


Article DOI: 10.1016/j.bmc.2016.01.011
BindingDB Entry DOI: 10.7270/Q2MP5682
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50500617
PNG
(CHEMBL3751882)
Show SMILES Cc1ccc(NC(=O)Nc2ccc(Nc3c4ccccc4nc4ccc(Cl)cc34)cc2)cc1
Show InChI InChI=1S/C27H21ClN4O/c1-17-6-9-20(10-7-17)30-27(33)31-21-13-11-19(12-14-21)29-26-22-4-2-3-5-24(22)32-25-15-8-18(28)16-23(25)26/h2-16H,1H3,(H,29,32)(H2,30,31,33)
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n/an/a 1.25E+4n/an/an/an/an/an/a



Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of DNA supercoiling after 30 mins by electrophoresis

Bioorg Med Chem 24: 877-85 (2016)


Article DOI: 10.1016/j.bmc.2016.01.011
BindingDB Entry DOI: 10.7270/Q2MP5682
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50500650
PNG
(CHEMBL3752361)
Show SMILES [O-][N+](=O)c1ccc(NC(=S)Nc2ccc(Nc3c4ccccc4nc4ccccc34)cc2)cc1
Show InChI InChI=1S/C26H19N5O2S/c32-31(33)20-15-13-19(14-16-20)29-26(34)28-18-11-9-17(10-12-18)27-25-21-5-1-3-7-23(21)30-24-8-4-2-6-22(24)25/h1-16H,(H,27,30)(H2,28,29,34)
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n/an/a 1.31E+4n/an/an/an/an/an/a



Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of DNA supercoiling after 30 mins by electrophoresis

Bioorg Med Chem 24: 877-85 (2016)


Article DOI: 10.1016/j.bmc.2016.01.011
BindingDB Entry DOI: 10.7270/Q2MP5682
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50500642
PNG
(CHEMBL3753099)
Show SMILES Cc1ccc(NC(=O)Nc2ccc(Nc3c4ccccc4nc4ccccc34)cc2)cc1
Show InChI InChI=1S/C27H22N4O/c1-18-10-12-20(13-11-18)29-27(32)30-21-16-14-19(15-17-21)28-26-22-6-2-4-8-24(22)31-25-9-5-3-7-23(25)26/h2-17H,1H3,(H,28,31)(H2,29,30,32)
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n/an/a 1.31E+4n/an/an/an/an/an/a



Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of DNA supercoiling after 30 mins by electrophoresis

Bioorg Med Chem 24: 877-85 (2016)


Article DOI: 10.1016/j.bmc.2016.01.011
BindingDB Entry DOI: 10.7270/Q2MP5682
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50500620
PNG
(CHEMBL48931)
Show SMILES O=S(=O)(Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1)c1ccccc1
Show InChI InChI=1S/C25H19N3O2S/c29-31(30,20-8-2-1-3-9-20)28-19-16-14-18(15-17-19)26-25-21-10-4-6-12-23(21)27-24-13-7-5-11-22(24)25/h1-17,28H,(H,26,27)
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n/an/a 1.51E+4n/an/an/an/an/an/a



Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of DNA supercoiling after 30 mins by electrophoresis

Bioorg Med Chem 24: 877-85 (2016)


Article DOI: 10.1016/j.bmc.2016.01.011
BindingDB Entry DOI: 10.7270/Q2MP5682
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50500644
PNG
(CHEMBL3752568)
Show SMILES Cc1ccc2nc3ccccc3c(Nc3ccc(NC(=O)Nc4ccccc4)cc3)c2c1
Show InChI InChI=1S/C27H22N4O/c1-18-11-16-25-23(17-18)26(22-9-5-6-10-24(22)31-25)28-20-12-14-21(15-13-20)30-27(32)29-19-7-3-2-4-8-19/h2-17H,1H3,(H,28,31)(H2,29,30,32)
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n/an/a 2.21E+4n/an/an/an/an/an/a



Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of DNA supercoiling after 30 mins by electrophoresis

Bioorg Med Chem 24: 877-85 (2016)


Article DOI: 10.1016/j.bmc.2016.01.011
BindingDB Entry DOI: 10.7270/Q2MP5682
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50500622
PNG
(CHEMBL3753115)
Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1
Show InChI InChI=1S/C25H18N4O4S/c30-29(31)19-13-15-20(16-14-19)34(32,33)28-18-11-9-17(10-12-18)26-25-21-5-1-3-7-23(21)27-24-8-4-2-6-22(24)25/h1-16,28H,(H,26,27)
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n/an/a 2.24E+4n/an/an/an/an/an/a



Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of DNA supercoiling after 30 mins by electrophoresis

Bioorg Med Chem 24: 877-85 (2016)


Article DOI: 10.1016/j.bmc.2016.01.011
BindingDB Entry DOI: 10.7270/Q2MP5682
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50500646
PNG
(CHEMBL3753399)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C26H20ClN3O2S/c1-17-6-13-21(14-7-17)33(31,32)30-20-11-9-19(10-12-20)28-26-22-4-2-3-5-24(22)29-25-15-8-18(27)16-23(25)26/h2-16,30H,1H3,(H,28,29)
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n/an/a 2.28E+4n/an/an/an/an/an/a



Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of DNA supercoiling after 30 mins by electrophoresis

Bioorg Med Chem 24: 877-85 (2016)


Article DOI: 10.1016/j.bmc.2016.01.011
BindingDB Entry DOI: 10.7270/Q2MP5682
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50500616
PNG
(CHEMBL3752017)
Show SMILES Clc1ccc2nc3ccccc3c(Nc3ccc(NC(=O)Nc4ccccc4)cc3)c2c1
Show InChI InChI=1S/C26H19ClN4O/c27-17-10-15-24-22(16-17)25(21-8-4-5-9-23(21)31-24)28-19-11-13-20(14-12-19)30-26(32)29-18-6-2-1-3-7-18/h1-16H,(H,28,31)(H2,29,30,32)
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n/an/a 2.36E+4n/an/an/an/an/an/a



Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of DNA supercoiling after 30 mins by electrophoresis

Bioorg Med Chem 24: 877-85 (2016)


Article DOI: 10.1016/j.bmc.2016.01.011
BindingDB Entry DOI: 10.7270/Q2MP5682
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50500621
PNG
(CHEMBL3752604)
Show SMILES Clc1ccc(cc1)S(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1
Show InChI InChI=1S/C25H18ClN3O2S/c26-17-9-15-20(16-10-17)32(30,31)29-19-13-11-18(12-14-19)27-25-21-5-1-3-7-23(21)28-24-8-4-2-6-22(24)25/h1-16,29H,(H,27,28)
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n/an/a 2.38E+4n/an/an/an/an/an/a



Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of DNA supercoiling after 30 mins by electrophoresis

Bioorg Med Chem 24: 877-85 (2016)


Article DOI: 10.1016/j.bmc.2016.01.011
BindingDB Entry DOI: 10.7270/Q2MP5682
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50500645
PNG
(CHEMBL3753521)
Show SMILES Cc1ccc2nc3ccccc3c(Nc3ccc(NC(=S)Nc4ccc(cc4)[N+]([O-])=O)cc3)c2c1
Show InChI InChI=1S/C27H21N5O2S/c1-17-6-15-25-23(16-17)26(22-4-2-3-5-24(22)31-25)28-18-7-9-19(10-8-18)29-27(35)30-20-11-13-21(14-12-20)32(33)34/h2-16H,1H3,(H,28,31)(H2,29,30,35)
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n/an/a 2.48E+4n/an/an/an/an/an/a



Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of DNA supercoiling after 30 mins by electrophoresis

Bioorg Med Chem 24: 877-85 (2016)


Article DOI: 10.1016/j.bmc.2016.01.011
BindingDB Entry DOI: 10.7270/Q2MP5682
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50500640
PNG
(CHEMBL3753644)
Show SMILES [O-][N+](=O)c1ccc(NC(=O)Nc2ccc(Nc3c4ccccc4nc4ccccc34)cc2)cc1
Show InChI InChI=1S/C26H19N5O3/c32-26(29-19-13-15-20(16-14-19)31(33)34)28-18-11-9-17(10-12-18)27-25-21-5-1-3-7-23(21)30-24-8-4-2-6-22(24)25/h1-16H,(H,27,30)(H2,28,29,32)
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n/an/a 2.68E+4n/an/an/an/an/an/a



Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of DNA supercoiling after 30 mins by electrophoresis

Bioorg Med Chem 24: 877-85 (2016)


Article DOI: 10.1016/j.bmc.2016.01.011
BindingDB Entry DOI: 10.7270/Q2MP5682
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50500623
PNG
(CHEMBL3753765)
Show SMILES Cc1ccc(NC(=S)Nc2ccc(Nc3c4ccccc4nc4ccc(C)cc34)cc2)cc1
Show InChI InChI=1S/C28H24N4S/c1-18-7-10-21(11-8-18)30-28(33)31-22-14-12-20(13-15-22)29-27-23-5-3-4-6-25(23)32-26-16-9-19(2)17-24(26)27/h3-17H,1-2H3,(H,29,32)(H2,30,31,33)
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n/an/a 2.69E+4n/an/an/an/an/an/a



Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of DNA supercoiling after 30 mins by electrophoresis

Bioorg Med Chem 24: 877-85 (2016)


Article DOI: 10.1016/j.bmc.2016.01.011
BindingDB Entry DOI: 10.7270/Q2MP5682
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50500625
PNG
(CHEMBL3752396)
Show SMILES [O-][N+](=O)c1ccc(NC(=S)Nc2ccc(Nc3c4ccccc4nc4ccc(Cl)cc34)cc2)cc1
Show InChI InChI=1S/C26H18ClN5O2S/c27-16-5-14-24-22(15-16)25(21-3-1-2-4-23(21)31-24)28-17-6-8-18(9-7-17)29-26(35)30-19-10-12-20(13-11-19)32(33)34/h1-15H,(H,28,31)(H2,29,30,35)
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n/an/a 2.88E+4n/an/an/an/an/an/a



Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of DNA supercoiling after 30 mins by electrophoresis

Bioorg Med Chem 24: 877-85 (2016)


Article DOI: 10.1016/j.bmc.2016.01.011
BindingDB Entry DOI: 10.7270/Q2MP5682
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50500636
PNG
(CHEMBL3752104)
Show SMILES Clc1ccc2nc3ccccc3c(Nc3ccc(NC(=S)Nc4ccccc4)cc3)c2c1
Show InChI InChI=1S/C26H19ClN4S/c27-17-10-15-24-22(16-17)25(21-8-4-5-9-23(21)31-24)28-19-11-13-20(14-12-19)30-26(32)29-18-6-2-1-3-7-18/h1-16H,(H,28,31)(H2,29,30,32)
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n/an/a 2.93E+4n/an/an/an/an/an/a



Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of DNA supercoiling after 30 mins by electrophoresis

Bioorg Med Chem 24: 877-85 (2016)


Article DOI: 10.1016/j.bmc.2016.01.011
BindingDB Entry DOI: 10.7270/Q2MP5682
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50500628
PNG
(CHEMBL3753968)
Show SMILES Cc1ccc(NC(=O)Nc2ccc(Nc3c4ccccc4nc4ccc(C)cc34)cc2)cc1
Show InChI InChI=1S/C28H24N4O/c1-18-7-10-21(11-8-18)30-28(33)31-22-14-12-20(13-15-22)29-27-23-5-3-4-6-25(23)32-26-16-9-19(2)17-24(26)27/h3-17H,1-2H3,(H,29,32)(H2,30,31,33)
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n/an/a 2.96E+4n/an/an/an/an/an/a



Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of DNA supercoiling after 30 mins by electrophoresis

Bioorg Med Chem 24: 877-85 (2016)


Article DOI: 10.1016/j.bmc.2016.01.011
BindingDB Entry DOI: 10.7270/Q2MP5682
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50500647
PNG
(CHEMBL3754614)
Show SMILES Cc1ccc(NC(=S)Nc2ccc(Nc3c4ccccc4nc4ccccc34)cc2)cc1
Show InChI InChI=1S/C27H22N4S/c1-18-10-12-20(13-11-18)29-27(32)30-21-16-14-19(15-17-21)28-26-22-6-2-4-8-24(22)31-25-9-5-3-7-23(25)26/h2-17H,1H3,(H,28,31)(H2,29,30,32)
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n/an/a 3.11E+4n/an/an/an/an/an/a



Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of DNA supercoiling after 30 mins by electrophoresis

Bioorg Med Chem 24: 877-85 (2016)


Article DOI: 10.1016/j.bmc.2016.01.011
BindingDB Entry DOI: 10.7270/Q2MP5682
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50500624
PNG
(CHEMBL3751975)
Show SMILES Clc1ccc(NC(=S)Nc2ccc(Nc3c4ccccc4nc4ccc(Cl)cc34)cc2)cc1
Show InChI InChI=1S/C26H18Cl2N4S/c27-16-5-8-19(9-6-16)30-26(33)31-20-12-10-18(11-13-20)29-25-21-3-1-2-4-23(21)32-24-14-7-17(28)15-22(24)25/h1-15H,(H,29,32)(H2,30,31,33)
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n/an/a 3.15E+4n/an/an/an/an/an/a



Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of DNA supercoiling after 30 mins by electrophoresis

Bioorg Med Chem 24: 877-85 (2016)


Article DOI: 10.1016/j.bmc.2016.01.011
BindingDB Entry DOI: 10.7270/Q2MP5682
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50500630
PNG
(CHEMBL49272)
Show SMILES O=C(Nc1ccccc1)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1
Show InChI InChI=1S/C26H20N4O/c31-26(28-18-8-2-1-3-9-18)29-20-16-14-19(15-17-20)27-25-21-10-4-6-12-23(21)30-24-13-7-5-11-22(24)25/h1-17H,(H,27,30)(H2,28,29,31)
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n/an/a 3.26E+4n/an/an/an/an/an/a



Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of DNA supercoiling after 30 mins by electrophoresis

Bioorg Med Chem 24: 877-85 (2016)


Article DOI: 10.1016/j.bmc.2016.01.011
BindingDB Entry DOI: 10.7270/Q2MP5682
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50500626
PNG
(CHEMBL3754162)
Show SMILES Cc1ccc(NC(=S)Nc2ccc(Nc3c4ccccc4nc4ccc(Cl)cc34)cc2)cc1
Show InChI InChI=1S/C27H21ClN4S/c1-17-6-9-20(10-7-17)30-27(33)31-21-13-11-19(12-14-21)29-26-22-4-2-3-5-24(22)32-25-15-8-18(28)16-23(25)26/h2-16H,1H3,(H,29,32)(H2,30,31,33)
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n/an/a 3.39E+4n/an/an/an/an/an/a



Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of DNA supercoiling after 30 mins by electrophoresis

Bioorg Med Chem 24: 877-85 (2016)


Article DOI: 10.1016/j.bmc.2016.01.011
BindingDB Entry DOI: 10.7270/Q2MP5682
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50370232
PNG
(BA-41166E | L-5103 | RIFAMPIN | Rifadin | Rifampic...)
Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2c(O)c(\C=N\N4CCN(C)CC4)c(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(O)c2c(O)c3C |r,c:33,t:3,35|
Show InChI InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,44-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of DNA supercoiling after 30 mins by electrophoresis

Bioorg Med Chem 24: 877-85 (2016)


Article DOI: 10.1016/j.bmc.2016.01.011
BindingDB Entry DOI: 10.7270/Q2MP5682
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50336507
PNG
(4-pyridinecarbohydrazide(Isoniazid) | CHEMBL64 | D...)
Show SMILES NNC(=O)c1ccncc1
Show InChI InChI=1S/C6H7N3O/c7-9-6(10)5-1-3-8-4-2-5/h1-4H,7H2,(H,9,10)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of DNA supercoiling after 30 mins by electrophoresis

Bioorg Med Chem 24: 877-85 (2016)


Article DOI: 10.1016/j.bmc.2016.01.011
BindingDB Entry DOI: 10.7270/Q2MP5682
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%