BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 206 hits from Birla Institute of Technology& Science-Pilani   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
O-acetylserine sulfhydrylase


(Mycobacterium tuberculosis)
BDBM50427257
PNG
(CHEMBL2325118)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(O)=O)C(O)=O
Show InChI InChI=1S/C22H32N4O8/c1-3-12(2)18(22(33)34)26-21(32)16(11-27)25-20(31)15(9-13-7-5-4-6-8-13)24-19(30)14(23)10-17(28)29/h4-8,12,14-16,18,27H,3,9-11,23H2,1-2H3,(H,24,30)(H,25,31)(H,26,32)(H,28,29)(H,33,34)/t12-,14-,15-,16-,18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.00E+3n/an/an/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Competitive inhibition of Mycobacterium tuberculosis CysK1


Bioorg Med Chem Lett 23: 1182-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.031
BindingDB Entry DOI: 10.7270/Q2416ZDF
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50226181
PNG
((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...)
Show SMILES CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 46n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis 155 6His-tagged DNA gyrase B catalytic domain ATPase activity expressed in Escherichia coli BL21 (DE3) pLysS ce...


Eur J Med Chem 122: 216-231 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.042
BindingDB Entry DOI: 10.7270/Q2DB83TT
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50423645
PNG
(Albamycin | Cathomycin | NOVOBIOCIN)
Show SMILES CO[C@@H]1[C@@H](OC(N)=O)[C@H](O)[C@@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 46n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA GyrB domain assessed as inhibition of inorganic phosphate release after 100 mins at room temperature by ATP...


Bioorg Med Chem 23: 1402-12 (2015)


Article DOI: 10.1016/j.bmc.2015.02.032
BindingDB Entry DOI: 10.7270/Q2QF8VKM
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM282
PNG
((3R,4S,5R,6R)-5-hydroxy-6-[(2-hydroxy-3-{[4-hydrox...)
Show SMILES CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 180n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis GyrB ATPase activity expressed in Escherichia coli BL21 (DE3) pLysS cells after 100 mins by inorganic phosphate...


Bioorg Med Chem 23: 2062-78 (2015)


Article DOI: 10.1016/j.bmc.2015.03.004
BindingDB Entry DOI: 10.7270/Q2HT2R1V
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50423645
PNG
(Albamycin | Cathomycin | NOVOBIOCIN)
Show SMILES CO[C@@H]1[C@@H](OC(N)=O)[C@H](O)[C@@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis GyrB ATPase activity expressed in Escherichia coli BL21 (DE3) after 2 hrs


Eur J Med Chem 70: 143-53 (2013)


Article DOI: 10.1016/j.ejmech.2013.09.025
BindingDB Entry DOI: 10.7270/Q2T72JWH
More data for this
Ligand-Target Pair
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50147729
PNG
(CHEMBL3765483)
Show SMILES Cc1nc2sc3ccccc3n2c1C(=O)Nc1ccc(Br)cc1
Show InChI InChI=1S/C17H12BrN3OS/c1-10-15(16(22)20-12-8-6-11(18)7-9-12)21-13-4-2-3-5-14(13)23-17(21)19-10/h2-9H,1H3,(H,20,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 520n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...


Bioorg Med Chem 24: 1298-307 (2016)


Article DOI: 10.1016/j.bmc.2016.01.059
BindingDB Entry DOI: 10.7270/Q2C82C5B
More data for this
Ligand-Target Pair
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50147691
PNG
(CHEMBL3764865)
Show SMILES Cc1nc2sc3ccccc3n2c1C(=O)NNC(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C24H18N4O3S/c1-15-21(28-19-9-5-6-10-20(19)32-24(28)25-15)23(30)27-26-22(29)16-11-13-18(14-12-16)31-17-7-3-2-4-8-17/h2-14H,1H3,(H,26,29)(H,27,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 530n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...


Bioorg Med Chem 24: 1298-307 (2016)


Article DOI: 10.1016/j.bmc.2016.01.059
BindingDB Entry DOI: 10.7270/Q2C82C5B
More data for this
Ligand-Target Pair
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50147716
PNG
(CHEMBL3763241)
Show SMILES Cc1nc2sccn2c1C(=O)N\N=C\c1ccccc1
Show InChI InChI=1S/C14H12N4OS/c1-10-12(18-7-8-20-14(18)16-10)13(19)17-15-9-11-5-3-2-4-6-11/h2-9H,1H3,(H,17,19)/b15-9+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 580n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...


Bioorg Med Chem 24: 1298-307 (2016)


Article DOI: 10.1016/j.bmc.2016.01.059
BindingDB Entry DOI: 10.7270/Q2C82C5B
More data for this
Ligand-Target Pair
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50147695
PNG
(CHEMBL3765314)
Show SMILES Cc1nc2sccn2c1C(=O)NNC(=O)c1cccc2ccccc12
Show InChI InChI=1S/C18H14N4O2S/c1-11-15(22-9-10-25-18(22)19-11)17(24)21-20-16(23)14-8-4-6-12-5-2-3-7-13(12)14/h2-10H,1H3,(H,20,23)(H,21,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 640n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...


Bioorg Med Chem 24: 1298-307 (2016)


Article DOI: 10.1016/j.bmc.2016.01.059
BindingDB Entry DOI: 10.7270/Q2C82C5B
More data for this
Ligand-Target Pair
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50147715
PNG
(CHEMBL3764614)
Show SMILES Cc1nc2sccn2c1C(=O)N\N=C\c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C15H11F3N4OS/c1-9-12(22-6-7-24-14(22)20-9)13(23)21-19-8-10-2-4-11(5-3-10)15(16,17)18/h2-8H,1H3,(H,21,23)/b19-8+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 670n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...


Bioorg Med Chem 24: 1298-307 (2016)


Article DOI: 10.1016/j.bmc.2016.01.059
BindingDB Entry DOI: 10.7270/Q2C82C5B
More data for this
Ligand-Target Pair
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50147724
PNG
(CHEMBL3764280)
Show SMILES Cc1nc2sccn2c1C(=O)Nc1ccc(Br)cc1
Show InChI InChI=1S/C13H10BrN3OS/c1-8-11(17-6-7-19-13(17)15-8)12(18)16-10-4-2-9(14)3-5-10/h2-7H,1H3,(H,16,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 690n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...


Bioorg Med Chem 24: 1298-307 (2016)


Article DOI: 10.1016/j.bmc.2016.01.059
BindingDB Entry DOI: 10.7270/Q2C82C5B
More data for this
Ligand-Target Pair
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50147725
PNG
(CHEMBL3765736)
Show SMILES Cc1nc2sccn2c1C(=O)Nc1ccccc1
Show InChI InChI=1S/C13H11N3OS/c1-9-11(16-7-8-18-13(16)14-9)12(17)15-10-5-3-2-4-6-10/h2-8H,1H3,(H,15,17)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 740n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...


Bioorg Med Chem 24: 1298-307 (2016)


Article DOI: 10.1016/j.bmc.2016.01.059
BindingDB Entry DOI: 10.7270/Q2C82C5B
More data for this
Ligand-Target Pair
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50147732
PNG
(CHEMBL3764694)
Show SMILES Cc1nc2sc3ccccc3n2c1C(=O)NCc1ccccc1
Show InChI InChI=1S/C18H15N3OS/c1-12-16(17(22)19-11-13-7-3-2-4-8-13)21-14-9-5-6-10-15(14)23-18(21)20-12/h2-10H,11H2,1H3,(H,19,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 840n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...


Bioorg Med Chem 24: 1298-307 (2016)


Article DOI: 10.1016/j.bmc.2016.01.059
BindingDB Entry DOI: 10.7270/Q2C82C5B
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50066107
PNG
(CHEMBL3402951)
Show SMILES NC(=O)c1cc(sc1NC(=O)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C18H14N2O2S/c19-16(21)14-11-15(12-7-3-1-4-8-12)23-18(14)20-17(22)13-9-5-2-6-10-13/h1-11H,(H2,19,21)(H,20,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 860n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA GyrB domain assessed as inhibition of inorganic phosphate release after 100 mins at room temperature by ATP...


Bioorg Med Chem 23: 1402-12 (2015)


Article DOI: 10.1016/j.bmc.2015.02.032
BindingDB Entry DOI: 10.7270/Q2QF8VKM
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50067153
PNG
(CHEMBL3403274)
Show SMILES COc1ccc2nc(C)cc(N3CCC(CC3)NC(=S)Nc3ccc(Cl)cc3)c2c1
Show InChI InChI=1S/C23H25ClN4OS/c1-15-13-22(20-14-19(29-2)7-8-21(20)25-15)28-11-9-18(10-12-28)27-23(30)26-17-5-3-16(24)4-6-17/h3-8,13-14,18H,9-12H2,1-2H3,(H2,26,27,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 950n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis GyrB ATPase activity expressed in Escherichia coli BL21 (DE3) pLysS cells after 100 mins by inorganic phosphate...


Bioorg Med Chem 23: 2062-78 (2015)


Article DOI: 10.1016/j.bmc.2015.03.004
BindingDB Entry DOI: 10.7270/Q2HT2R1V
More data for this
Ligand-Target Pair
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50147733
PNG
(CHEMBL3763165)
Show SMILES Cc1nc2sc3ccccc3n2c1C(=O)NC1CCCCC1
Show InChI InChI=1S/C17H19N3OS/c1-11-15(16(21)19-12-7-3-2-4-8-12)20-13-9-5-6-10-14(13)22-17(20)18-11/h5-6,9-10,12H,2-4,7-8H2,1H3,(H,19,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.02E+3n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...


Bioorg Med Chem 24: 1298-307 (2016)


Article DOI: 10.1016/j.bmc.2016.01.059
BindingDB Entry DOI: 10.7270/Q2C82C5B
More data for this
Ligand-Target Pair
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50147719
PNG
(CHEMBL3763769)
Show SMILES Cc1nc2sc3ccccc3n2c1C(=O)N\N=C\c1ccc(Br)cc1
Show InChI InChI=1S/C18H13BrN4OS/c1-11-16(17(24)22-20-10-12-6-8-13(19)9-7-12)23-14-4-2-3-5-15(14)25-18(23)21-11/h2-10H,1H3,(H,22,24)/b20-10+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.02E+3n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...


Bioorg Med Chem 24: 1298-307 (2016)


Article DOI: 10.1016/j.bmc.2016.01.059
BindingDB Entry DOI: 10.7270/Q2C82C5B
More data for this
Ligand-Target Pair
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50147730
PNG
(CHEMBL3765612)
Show SMILES Cc1nc2sc3ccccc3n2c1C(=O)Nc1ccccc1
Show InChI InChI=1S/C17H13N3OS/c1-11-15(16(21)19-12-7-3-2-4-8-12)20-13-9-5-6-10-14(13)22-17(20)18-11/h2-10H,1H3,(H,19,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.03E+3n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...


Bioorg Med Chem 24: 1298-307 (2016)


Article DOI: 10.1016/j.bmc.2016.01.059
BindingDB Entry DOI: 10.7270/Q2C82C5B
More data for this
Ligand-Target Pair
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50147727
PNG
(CHEMBL3765386)
Show SMILES Cc1nc2sccn2c1C(=O)NCc1ccccc1
Show InChI InChI=1S/C14H13N3OS/c1-10-12(17-7-8-19-14(17)16-10)13(18)15-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,15,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.06E+3n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...


Bioorg Med Chem 24: 1298-307 (2016)


Article DOI: 10.1016/j.bmc.2016.01.059
BindingDB Entry DOI: 10.7270/Q2C82C5B
More data for this
Ligand-Target Pair
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50147693
PNG
(CHEMBL3763613)
Show SMILES Cc1nc2sc3ccccc3n2c1C(=O)NNC(=O)c1ccccc1
Show InChI InChI=1S/C18H14N4O2S/c1-11-15(17(24)21-20-16(23)12-7-3-2-4-8-12)22-13-9-5-6-10-14(13)25-18(22)19-11/h2-10H,1H3,(H,20,23)(H,21,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...


Bioorg Med Chem 24: 1298-307 (2016)


Article DOI: 10.1016/j.bmc.2016.01.059
BindingDB Entry DOI: 10.7270/Q2C82C5B
More data for this
Ligand-Target Pair
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50147712
PNG
(CHEMBL3764292)
Show SMILES Cc1nc2sccn2c1C(=O)N\N=C\c1ccc(Br)cc1
Show InChI InChI=1S/C14H11BrN4OS/c1-9-12(19-6-7-21-14(19)17-9)13(20)18-16-8-10-2-4-11(15)5-3-10/h2-8H,1H3,(H,18,20)/b16-8+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...


Bioorg Med Chem 24: 1298-307 (2016)


Article DOI: 10.1016/j.bmc.2016.01.059
BindingDB Entry DOI: 10.7270/Q2C82C5B
More data for this
Ligand-Target Pair
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50147696
PNG
(CHEMBL3763438)
Show SMILES Cc1nc2sccn2c1C(=O)NNC(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C20H16N4O3S/c1-13-17(24-11-12-28-20(24)21-13)19(26)23-22-18(25)14-7-9-16(10-8-14)27-15-5-3-2-4-6-15/h2-12H,1H3,(H,22,25)(H,23,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.23E+3n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...


Bioorg Med Chem 24: 1298-307 (2016)


Article DOI: 10.1016/j.bmc.2016.01.059
BindingDB Entry DOI: 10.7270/Q2C82C5B
More data for this
Ligand-Target Pair
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50147690
PNG
(CHEMBL3763254)
Show SMILES Cc1nc2sc3ccccc3n2c1C(=O)NNC(=O)c1cccc2ccccc12
Show InChI InChI=1S/C22H16N4O2S/c1-13-19(26-17-11-4-5-12-18(17)29-22(26)23-13)21(28)25-24-20(27)16-10-6-8-14-7-2-3-9-15(14)16/h2-12H,1H3,(H,24,27)(H,25,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.39E+3n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...


Bioorg Med Chem 24: 1298-307 (2016)


Article DOI: 10.1016/j.bmc.2016.01.059
BindingDB Entry DOI: 10.7270/Q2C82C5B
More data for this
Ligand-Target Pair
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50147723
PNG
(CHEMBL3764019)
Show SMILES CN(C)c1ccc(\C=N\NC(=O)c2c(C)nc3sc4ccccc4n23)cc1
Show InChI InChI=1S/C20H19N5OS/c1-13-18(25-16-6-4-5-7-17(16)27-20(25)22-13)19(26)23-21-12-14-8-10-15(11-9-14)24(2)3/h4-12H,1-3H3,(H,23,26)/b21-12+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.46E+3n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...


Bioorg Med Chem 24: 1298-307 (2016)


Article DOI: 10.1016/j.bmc.2016.01.059
BindingDB Entry DOI: 10.7270/Q2C82C5B
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50066117
PNG
(CHEMBL3402957)
Show SMILES NC(=O)c1cc(sc1NC(=O)c1cccs1)-c1ccccc1
Show InChI InChI=1S/C16H12N2O2S2/c17-14(19)11-9-13(10-5-2-1-3-6-10)22-16(11)18-15(20)12-7-4-8-21-12/h1-9H,(H2,17,19)(H,18,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA GyrB domain assessed as inhibition of inorganic phosphate release after 100 mins at room temperature by ATP...


Bioorg Med Chem 23: 1402-12 (2015)


Article DOI: 10.1016/j.bmc.2015.02.032
BindingDB Entry DOI: 10.7270/Q2QF8VKM
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50066970
PNG
(CHEMBL3403255)
Show SMILES Cc1cc(N2CCC(CC2)NC(=O)Nc2ccc(F)cc2)c2cc(F)ccc2n1
Show InChI InChI=1S/C22H22F2N4O/c1-14-12-21(19-13-16(24)4-7-20(19)25-14)28-10-8-18(9-11-28)27-22(29)26-17-5-2-15(23)3-6-17/h2-7,12-13,18H,8-11H2,1H3,(H2,26,27,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.78E+3n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis GyrB ATPase activity expressed in Escherichia coli BL21 (DE3) pLysS cells after 100 mins by inorganic phosphate...


Bioorg Med Chem 23: 2062-78 (2015)


Article DOI: 10.1016/j.bmc.2015.03.004
BindingDB Entry DOI: 10.7270/Q2HT2R1V
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50066085
PNG
(CHEMBL3402933)
Show SMILES NC(=O)c1cc(sc1NC(=O)Nc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C18H15N3O2S/c19-16(22)14-11-15(12-7-3-1-4-8-12)24-17(14)21-18(23)20-13-9-5-2-6-10-13/h1-11H,(H2,19,22)(H2,20,21,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.83E+3n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA GyrB domain assessed as inhibition of inorganic phosphate release after 100 mins at room temperature by ATP...


Bioorg Med Chem 23: 1402-12 (2015)


Article DOI: 10.1016/j.bmc.2015.02.032
BindingDB Entry DOI: 10.7270/Q2QF8VKM
More data for this
Ligand-Target Pair
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50147728
PNG
(CHEMBL3763965)
Show SMILES Cc1nc2sccn2c1C(=O)NC1CCCCC1
Show InChI InChI=1S/C13H17N3OS/c1-9-11(16-7-8-18-13(16)14-9)12(17)15-10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H,15,17)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...


Bioorg Med Chem 24: 1298-307 (2016)


Article DOI: 10.1016/j.bmc.2016.01.059
BindingDB Entry DOI: 10.7270/Q2C82C5B
More data for this
Ligand-Target Pair
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50147722
PNG
(CHEMBL3763344)
Show SMILES COc1cc(\C=N\NC(=O)c2c(C)nc3sc4ccccc4n23)cc(OC)c1OC
Show InChI InChI=1S/C21H20N4O4S/c1-12-18(25-14-7-5-6-8-17(14)30-21(25)23-12)20(26)24-22-11-13-9-15(27-2)19(29-4)16(10-13)28-3/h5-11H,1-4H3,(H,24,26)/b22-11+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.07E+3n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...


Bioorg Med Chem 24: 1298-307 (2016)


Article DOI: 10.1016/j.bmc.2016.01.059
BindingDB Entry DOI: 10.7270/Q2C82C5B
More data for this
Ligand-Target Pair
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50147731
PNG
(CHEMBL3765655)
Show SMILES CCOc1ccc(NC(=O)c2c(C)nc3sc4ccccc4n23)cc1
Show InChI InChI=1S/C19H17N3O2S/c1-3-24-14-10-8-13(9-11-14)21-18(23)17-12(2)20-19-22(17)15-6-4-5-7-16(15)25-19/h4-11H,3H2,1-2H3,(H,21,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...


Bioorg Med Chem 24: 1298-307 (2016)


Article DOI: 10.1016/j.bmc.2016.01.059
BindingDB Entry DOI: 10.7270/Q2C82C5B
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50067151
PNG
(CHEMBL3403272)
Show SMILES COc1ccc2nc(C)cc(N3CCC(CC3)NC(=S)Nc3ccccc3)c2c1
Show InChI InChI=1S/C23H26N4OS/c1-16-14-22(20-15-19(28-2)8-9-21(20)24-16)27-12-10-18(11-13-27)26-23(29)25-17-6-4-3-5-7-17/h3-9,14-15,18H,10-13H2,1-2H3,(H2,25,26,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.14E+3n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis GyrB ATPase activity expressed in Escherichia coli BL21 (DE3) pLysS cells after 100 mins by inorganic phosphate...


Bioorg Med Chem 23: 2062-78 (2015)


Article DOI: 10.1016/j.bmc.2015.03.004
BindingDB Entry DOI: 10.7270/Q2HT2R1V
More data for this
Ligand-Target Pair
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50147721
PNG
(CHEMBL3765594)
Show SMILES Cc1nc2sc3ccccc3n2c1C(=O)N\N=C\c1ccccc1
Show InChI InChI=1S/C18H14N4OS/c1-12-16(17(23)21-19-11-13-7-3-2-4-8-13)22-14-9-5-6-10-15(14)24-18(22)20-12/h2-11H,1H3,(H,21,23)/b19-11+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.15E+3n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...


Bioorg Med Chem 24: 1298-307 (2016)


Article DOI: 10.1016/j.bmc.2016.01.059
BindingDB Entry DOI: 10.7270/Q2C82C5B
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50066096
PNG
(CHEMBL3402942)
Show SMILES Cc1ccc(NC(=S)Nc2sc(cc2C(N)=O)-c2ccccc2)cc1
Show InChI InChI=1S/C19H17N3OS2/c1-12-7-9-14(10-8-12)21-19(24)22-18-15(17(20)23)11-16(25-18)13-5-3-2-4-6-13/h2-11H,1H3,(H2,20,23)(H2,21,22,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.46E+3n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA GyrB domain assessed as inhibition of inorganic phosphate release after 100 mins at room temperature by ATP...


Bioorg Med Chem 23: 1402-12 (2015)


Article DOI: 10.1016/j.bmc.2015.02.032
BindingDB Entry DOI: 10.7270/Q2QF8VKM
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50202058
PNG
(CHEMBL3949206)
Show SMILES Fc1ccc(NC(=S)N2CCN(CC2)c2ccnc3cc(Cl)ccc23)cc1
Show InChI InChI=1S/C20H18ClFN4S/c21-14-1-6-17-18(13-14)23-8-7-19(17)25-9-11-26(12-10-25)20(27)24-16-4-2-15(22)3-5-16/h1-8,13H,9-12H2,(H,24,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis 155 6His-tagged DNA gyrase B catalytic domain ATPase activity expressed in Escherichia coli BL21 (DE3) pLysS ce...


Eur J Med Chem 122: 216-231 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.042
BindingDB Entry DOI: 10.7270/Q2DB83TT
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50067154
PNG
(CHEMBL3403275)
Show SMILES COc1ccc2nc(C)cc(N3CCC(CC3)NC(=S)Nc3ccc(cc3)[N+]([O-])=O)c2c1
Show InChI InChI=1S/C23H25N5O3S/c1-15-13-22(20-14-19(31-2)7-8-21(20)24-15)27-11-9-17(10-12-27)26-23(32)25-16-3-5-18(6-4-16)28(29)30/h3-8,13-14,17H,9-12H2,1-2H3,(H2,25,26,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis GyrB ATPase activity expressed in Escherichia coli BL21 (DE3) pLysS cells after 100 mins by inorganic phosphate...


Bioorg Med Chem 23: 2062-78 (2015)


Article DOI: 10.1016/j.bmc.2015.03.004
BindingDB Entry DOI: 10.7270/Q2HT2R1V
More data for this
Ligand-Target Pair
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50147718
PNG
(CHEMBL3763895)
Show SMILES CN(C)c1ccc(\C=N\NC(=O)c2c(C)nc3sccn23)cc1
Show InChI InChI=1S/C16H17N5OS/c1-11-14(21-8-9-23-16(21)18-11)15(22)19-17-10-12-4-6-13(7-5-12)20(2)3/h4-10H,1-3H3,(H,19,22)/b17-10+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...


Bioorg Med Chem 24: 1298-307 (2016)


Article DOI: 10.1016/j.bmc.2016.01.059
BindingDB Entry DOI: 10.7270/Q2C82C5B
More data for this
Ligand-Target Pair
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50147699
PNG
(CHEMBL3764636)
Show SMILES Cc1nc2sc3ccccc3n2c1C(=O)NNC(=O)C1CCCCC1
Show InChI InChI=1S/C18H20N4O2S/c1-11-15(17(24)21-20-16(23)12-7-3-2-4-8-12)22-13-9-5-6-10-14(13)25-18(22)19-11/h5-6,9-10,12H,2-4,7-8H2,1H3,(H,20,23)(H,21,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.91E+3n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...


Bioorg Med Chem 24: 1298-307 (2016)


Article DOI: 10.1016/j.bmc.2016.01.059
BindingDB Entry DOI: 10.7270/Q2C82C5B
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50202018
PNG
(CHEMBL3941457)
Show SMILES Fc1ccc(NC(=O)N2CCN(CC2)c2ccnc3cc(Cl)ccc23)cc1
Show InChI InChI=1S/C20H18ClFN4O/c21-14-1-6-17-18(13-14)23-8-7-19(17)25-9-11-26(12-10-25)20(27)24-16-4-2-15(22)3-5-16/h1-8,13H,9-12H2,(H,24,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 3.10E+3n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis 155 6His-tagged DNA gyrase B catalytic domain ATPase activity expressed in Escherichia coli BL21 (DE3) pLysS ce...


Eur J Med Chem 122: 216-231 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.042
BindingDB Entry DOI: 10.7270/Q2DB83TT
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50066081
PNG
(CHEMBL3402930)
Show SMILES NC(=O)c1cc(sc1NC(=O)Nc1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C18H14ClN3O2S/c19-12-6-8-13(9-7-12)21-18(24)22-17-14(16(20)23)10-15(25-17)11-4-2-1-3-5-11/h1-10H,(H2,20,23)(H2,21,22,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.14E+3n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA GyrB domain assessed as inhibition of inorganic phosphate release after 100 mins at room temperature by ATP...


Bioorg Med Chem 23: 1402-12 (2015)


Article DOI: 10.1016/j.bmc.2015.02.032
BindingDB Entry DOI: 10.7270/Q2QF8VKM
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50066113
PNG
(CHEMBL3402954)
Show SMILES CCCC(=O)Nc1sc(cc1C(N)=O)-c1ccccc1
Show InChI InChI=1S/C15H16N2O2S/c1-2-6-13(18)17-15-11(14(16)19)9-12(20-15)10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3,(H2,16,19)(H,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.57E+3n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA GyrB domain assessed as inhibition of inorganic phosphate release after 100 mins at room temperature by ATP...


Bioorg Med Chem 23: 1402-12 (2015)


Article DOI: 10.1016/j.bmc.2015.02.032
BindingDB Entry DOI: 10.7270/Q2QF8VKM
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50067148
PNG
(CHEMBL3403269)
Show SMILES Cc1cc(N2CCC(CC2)NC(=S)Nc2ccc(cc2)[N+]([O-])=O)c2ccccc2n1
Show InChI InChI=1S/C22H23N5O2S/c1-15-14-21(19-4-2-3-5-20(19)23-15)26-12-10-17(11-13-26)25-22(30)24-16-6-8-18(9-7-16)27(28)29/h2-9,14,17H,10-13H2,1H3,(H2,24,25,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.77E+3n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis GyrB ATPase activity expressed in Escherichia coli BL21 (DE3) pLysS cells after 100 mins by inorganic phosphate...


Bioorg Med Chem 23: 2062-78 (2015)


Article DOI: 10.1016/j.bmc.2015.03.004
BindingDB Entry DOI: 10.7270/Q2HT2R1V
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50202009
PNG
(CHEMBL3978320)
Show SMILES Clc1ccc2c(ccnc2c1)N1CCN(CC1)C(=S)Nc1ccccc1
Show InChI InChI=1S/C20H19ClN4S/c21-15-6-7-17-18(14-15)22-9-8-19(17)24-10-12-25(13-11-24)20(26)23-16-4-2-1-3-5-16/h1-9,14H,10-13H2,(H,23,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.12E+3n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis 155 6His-tagged DNA gyrase B catalytic domain ATPase activity expressed in Escherichia coli BL21 (DE3) pLysS ce...


Eur J Med Chem 122: 216-231 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.042
BindingDB Entry DOI: 10.7270/Q2DB83TT
More data for this
Ligand-Target Pair
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50147697
PNG
(CHEMBL3764470)
Show SMILES Cc1nc2sccn2c1C(=O)NNC(=O)c1ccc(C)cc1
Show InChI InChI=1S/C15H14N4O2S/c1-9-3-5-11(6-4-9)13(20)17-18-14(21)12-10(2)16-15-19(12)7-8-22-15/h3-8H,1-2H3,(H,17,20)(H,18,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.99E+3n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...


Bioorg Med Chem 24: 1298-307 (2016)


Article DOI: 10.1016/j.bmc.2016.01.059
BindingDB Entry DOI: 10.7270/Q2C82C5B
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase


(Mycobacterium tuberculosis)
BDBM50099588
PNG
(CHEMBL3343866)
Show SMILES [O-][N+](=O)c1cnc(NC(=O)Cn2c3ccc(cc3oc2=O)[N+]([O-])=O)s1
Show InChI InChI=1S/C12H7N5O7S/c18-9(14-11-13-4-10(25-11)17(22)23)5-15-7-2-1-6(16(20)21)3-8(7)24-12(15)19/h1-4H,5H2,(H,13,14,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.12E+3n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant His6-tagged InhA expressed in Escherichia coli BL21(DE3) using 2-trans-decenoyl-CoA as substrate...


Bioorg Med Chem 22: 6134-45 (2014)


Article DOI: 10.1016/j.bmc.2014.08.031
BindingDB Entry DOI: 10.7270/Q2QZ2CQH
More data for this
Ligand-Target Pair
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50147698
PNG
(CHEMBL3763961)
Show SMILES Cc1nc2sccn2c1C(=O)NNC(=O)c1ccccc1
Show InChI InChI=1S/C14H12N4O2S/c1-9-11(18-7-8-21-14(18)15-9)13(20)17-16-12(19)10-5-3-2-4-6-10/h2-8H,1H3,(H,16,19)(H,17,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.31E+3n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...


Bioorg Med Chem 24: 1298-307 (2016)


Article DOI: 10.1016/j.bmc.2016.01.059
BindingDB Entry DOI: 10.7270/Q2C82C5B
More data for this
Ligand-Target Pair
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50147720
PNG
(CHEMBL3764964)
Show SMILES Cc1nc2sc3ccccc3n2c1C(=O)N\N=C\c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H13F3N4OS/c1-11-16(26-14-4-2-3-5-15(14)28-18(26)24-11)17(27)25-23-10-12-6-8-13(9-7-12)19(20,21)22/h2-10H,1H3,(H,25,27)/b23-10+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.31E+3n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...


Bioorg Med Chem 24: 1298-307 (2016)


Article DOI: 10.1016/j.bmc.2016.01.059
BindingDB Entry DOI: 10.7270/Q2C82C5B
More data for this
Ligand-Target Pair
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50147694
PNG
(CHEMBL3764150)
Show SMILES Cc1nc2sccn2c1C(=O)NNC(=O)C1CCCCC1
Show InChI InChI=1S/C14H18N4O2S/c1-9-11(18-7-8-21-14(18)15-9)13(20)17-16-12(19)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H,16,19)(H,17,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.38E+3n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...


Bioorg Med Chem 24: 1298-307 (2016)


Article DOI: 10.1016/j.bmc.2016.01.059
BindingDB Entry DOI: 10.7270/Q2C82C5B
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Mycobacterium smegmatis)
BDBM50134880
PNG
(4-(7-Chloro-quinolin-4-yl)-piperazine-1-carbothioi...)
Show SMILES Clc1ccc2c(ccnc2c1)N1CCN(CC1)C(=S)NCc1ccccc1
Show InChI InChI=1S/C21H21ClN4S/c22-17-6-7-18-19(14-17)23-9-8-20(18)25-10-12-26(13-11-25)21(27)24-15-16-4-2-1-3-5-16/h1-9,14H,10-13,15H2,(H,24,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.50E+3n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis 155 6His-tagged DNA gyrase B catalytic domain ATPase activity expressed in Escherichia coli BL21 (DE3) pLysS ce...


Eur J Med Chem 122: 216-231 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.042
BindingDB Entry DOI: 10.7270/Q2DB83TT
More data for this
Ligand-Target Pair
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50147717
PNG
(CHEMBL3763789)
Show SMILES COc1cc(\C=N\NC(=O)c2c(C)nc3sccn23)cc(OC)c1OC
Show InChI InChI=1S/C17H18N4O4S/c1-10-14(21-5-6-26-17(21)19-10)16(22)20-18-9-11-7-12(23-2)15(25-4)13(8-11)24-3/h5-9H,1-4H3,(H,20,22)/b18-9+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.61E+3n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...


Bioorg Med Chem 24: 1298-307 (2016)


Article DOI: 10.1016/j.bmc.2016.01.059
BindingDB Entry DOI: 10.7270/Q2C82C5B
More data for this
Ligand-Target Pair
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50147726
PNG
(CHEMBL3763563)
Show SMILES COc1ccc(NC(=O)c2c(C)nc3sccn23)cc1
Show InChI InChI=1S/C14H13N3O2S/c1-9-12(17-7-8-20-14(17)15-9)13(18)16-10-3-5-11(19-2)6-4-10/h3-8H,1-2H3,(H,16,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.83E+3n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...


Bioorg Med Chem 24: 1298-307 (2016)


Article DOI: 10.1016/j.bmc.2016.01.059
BindingDB Entry DOI: 10.7270/Q2C82C5B
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 206 total )  |  Next  |  Last  >>
Jump to: