Found 94 hits with Last Name = 'pang' and Initial = 'ah' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
N-acetyltransferase Eis
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM81484
(BROMPERIDOL | Bromoperidol | CAS_2448 | NSC_2448)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Br)cc1 Show InChI InChI=1S/C21H23BrFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 | PDB
UniProtKB/SwissProt
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UniChem
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| Article
PubMed
| 240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00239b
BindingDB Entry DOI: 10.7270/Q2417214 |
More data for this
Ligand-Target Pair | |
N-acetyltransferase Eis
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM21398
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 | PDB
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| PDB
Article
PubMed
| 390 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00239b
BindingDB Entry DOI: 10.7270/Q2417214 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
N-acetyltransferase Eis
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50530672
(CHEMBL4461948)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C21H23F2NO2/c22-18-7-3-16(4-8-18)20(25)2-1-13-24-14-11-21(26,12-15-24)17-5-9-19(23)10-6-17/h3-10,26H,1-2,11-15H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 910 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00239b
BindingDB Entry DOI: 10.7270/Q2417214 |
More data for this
Ligand-Target Pair | |
N-acetyltransferase Eis
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM21398
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 | PDB
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| PDB
Article
PubMed
| n/a | n/a | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00239b
BindingDB Entry DOI: 10.7270/Q2417214 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
N-acetyltransferase Eis
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM81484
(BROMPERIDOL | Bromoperidol | CAS_2448 | NSC_2448)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Br)cc1 Show InChI InChI=1S/C21H23BrFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 | PDB
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PC sid
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| Article
PubMed
| n/a | n/a | 520 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00239b
BindingDB Entry DOI: 10.7270/Q2417214 |
More data for this
Ligand-Target Pair | |
N-acetyltransferase Eis
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50530692
(CHEMBL3544895)Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC(=CC1)c1ccc(Cl)cc1 |c:16| Show InChI InChI=1S/C21H21ClFNO/c22-19-7-3-16(4-8-19)17-11-14-24(15-12-17)13-1-2-21(25)18-5-9-20(23)10-6-18/h3-11H,1-2,12-15H2 | PDB
UniProtKB/SwissProt
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PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 560 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00239b
BindingDB Entry DOI: 10.7270/Q2417214 |
More data for this
Ligand-Target Pair | |
N-acetyltransferase Eis
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50044442
(1-(4-Fluoro-phenyl)-4-piperidin-1-yl-butan-1-one |...)Show InChI InChI=1S/C15H20FNO/c16-14-8-6-13(7-9-14)15(18)5-4-12-17-10-2-1-3-11-17/h6-9H,1-5,10-12H2 | PDB
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PC sid
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PubMed
| n/a | n/a | 620 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00239b
BindingDB Entry DOI: 10.7270/Q2417214 |
More data for this
Ligand-Target Pair | |
N-acetyltransferase Eis
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50019953
(1-(4-Fluoro-phenyl)-4-(4-hydroxy-piperidin-1-yl)-b...)Show InChI InChI=1S/C15H20FNO2/c16-13-5-3-12(4-6-13)15(19)2-1-9-17-10-7-14(18)8-11-17/h3-6,14,18H,1-2,7-11H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 690 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00239b
BindingDB Entry DOI: 10.7270/Q2417214 |
More data for this
Ligand-Target Pair | |
N-acetyltransferase Eis
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50530672
(CHEMBL4461948)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C21H23F2NO2/c22-18-7-3-16(4-8-18)20(25)2-1-13-24-14-11-21(26,12-15-24)17-5-9-19(23)10-6-17/h3-10,26H,1-2,11-15H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 760 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00239b
BindingDB Entry DOI: 10.7270/Q2417214 |
More data for this
Ligand-Target Pair | |
N-acetyltransferase Eis
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50019949
(1-(4-Fluoro-phenyl)-4-(4-hydroxy-4-phenyl-piperidi...)Show InChI InChI=1S/C21H24FNO2/c22-19-10-8-17(9-11-19)20(24)7-4-14-23-15-12-21(25,13-16-23)18-5-2-1-3-6-18/h1-3,5-6,8-11,25H,4,7,12-16H2 | PDB
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PubMed
| n/a | n/a | 850 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00239b
BindingDB Entry DOI: 10.7270/Q2417214 |
More data for this
Ligand-Target Pair | |
N-acetyltransferase Eis
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50590295
(CHEMBL5188685)Show SMILES OC1(CCN(CCCC(=O)c2ccc(Cl)cc2)CC1)c1ccc(Br)cc1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00239b
BindingDB Entry DOI: 10.7270/Q2417214 |
More data for this
Ligand-Target Pair | |
N-acetyltransferase Eis
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50590307
(CHEMBL5192523) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00239b
BindingDB Entry DOI: 10.7270/Q2417214 |
More data for this
Ligand-Target Pair | |
N-acetyltransferase Eis
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50474701
(CHEMBL147830)Show InChI InChI=1S/C21H23ClFNO/c22-19-7-3-16(4-8-19)17-11-14-24(15-12-17)13-1-2-21(25)18-5-9-20(23)10-6-18/h3-10,17H,1-2,11-15H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00239b
BindingDB Entry DOI: 10.7270/Q2417214 |
More data for this
Ligand-Target Pair | |
N-acetyltransferase Eis
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50590297
(CHEMBL5202744) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00239b
BindingDB Entry DOI: 10.7270/Q2417214 |
More data for this
Ligand-Target Pair | |
N-acetyltransferase Eis
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50530694
(CHEMBL4556173)Show SMILES OC1(CCN(CCCC(=O)c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-3-16(4-8-18)20(25)2-1-13-24-14-11-21(26,12-15-24)17-5-9-19(23)10-6-17/h3-10,26H,1-2,11-15H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00239b
BindingDB Entry DOI: 10.7270/Q2417214 |
More data for this
Ligand-Target Pair | |
N-acetyltransferase Eis
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50590292
(CHEMBL5209184) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00239b
BindingDB Entry DOI: 10.7270/Q2417214 |
More data for this
Ligand-Target Pair | |
N-acetyltransferase Eis
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50219049
(1-(4-Chloro-phenyl)-4-[4-(4-chloro-phenyl)-4-hydro...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23Cl2NO2/c22-18-7-3-16(4-8-18)20(25)2-1-13-24-14-11-21(26,12-15-24)17-5-9-19(23)10-6-17/h3-10,26H,1-2,11-15H2 | PDB
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 5.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00239b
BindingDB Entry DOI: 10.7270/Q2417214 |
More data for this
Ligand-Target Pair | |
N-acetyltransferase Eis
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50027218
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)Show InChI InChI=1S/C21H24ClNO2/c22-19-10-8-18(9-11-19)21(25)12-15-23(16-13-21)14-4-7-20(24)17-5-2-1-3-6-17/h1-3,5-6,8-11,25H,4,7,12-16H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00239b
BindingDB Entry DOI: 10.7270/Q2417214 |
More data for this
Ligand-Target Pair | |
N-acetyltransferase Eis
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50590298
(CHEMBL5187419)Show SMILES COc1ccc(cc1)C(=O)CCCN1CCC(O)(CC1)c1ccc(Br)cc1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00239b
BindingDB Entry DOI: 10.7270/Q2417214 |
More data for this
Ligand-Target Pair | |
N-acetyltransferase Eis
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50590291
(CHEMBL5188423)Show SMILES OC1(CCN(CCCC(=O)c2ccc(Br)cc2)CC1)c1ccc(F)cc1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00239b
BindingDB Entry DOI: 10.7270/Q2417214 |
More data for this
Ligand-Target Pair | |
N-acetyltransferase Eis
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50017705
(1-(1-(4-(4-fluorophenyl)-4-oxobutyl)-1,2,3,6-tetra...)Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC(=CC1)n1c2ccccc2[nH]c1=O |c:16| Show InChI InChI=1S/C22H22FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-11H,3,6,12-15H2,(H,24,28) | PDB
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Patents
| Article
PubMed
| n/a | n/a | 1.22E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00239b
BindingDB Entry DOI: 10.7270/Q2417214 |
More data for this
Ligand-Target Pair | |
N-acetyltransferase Eis
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50590304
(CHEMBL5186626) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00239b
BindingDB Entry DOI: 10.7270/Q2417214 |
More data for this
Ligand-Target Pair | |
Inorganic pyrophosphatase
(Mycobacterium tuberculosis) | BDBM205472
(PPiase inhibitor, 16)Show SMILES CCCCN(CCCC)c1nc(nc(n1)-c1cccn1CCc1ccccc1)N1CCCCCC1 Show InChI InChI=1S/C29H42N6/c1-3-5-19-34(20-6-4-2)28-30-27(31-29(32-28)35-21-12-7-8-13-22-35)26-17-14-23-33(26)24-18-25-15-10-9-11-16-25/h9-11,14-17,23H,3-8,12-13,18-22,24H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.30E+4 | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of Kentucky
| Assay Description
The compounds were first mixed with tetrasodium PPi (final concentration of 100 μM) at concentrations specified in the text in the reaction buff... |
ACS Chem Biol 11: 3084-3092 (2016)
Article DOI: 10.1021/acschembio.6b00510
BindingDB Entry DOI: 10.7270/Q2GF0SBF |
More data for this
Ligand-Target Pair | |
Inorganic pyrophosphatase
(Mycobacterium tuberculosis) | BDBM205471
(PPiase inhibitor, 15)Show SMILES CCCCN(CCCC)c1nc(nc(n1)-c1cccn1Cc1ccccc1)N1CCCCCC1 Show InChI InChI=1S/C28H40N6/c1-3-5-18-32(19-6-4-2)27-29-26(30-28(31-27)33-20-12-7-8-13-21-33)25-17-14-22-34(25)23-24-15-10-9-11-16-24/h9-11,14-17,22H,3-8,12-13,18-21,23H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.70E+4 | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of Kentucky
| Assay Description
The compounds were first mixed with tetrasodium PPi (final concentration of 100 μM) at concentrations specified in the text in the reaction buff... |
ACS Chem Biol 11: 3084-3092 (2016)
Article DOI: 10.1021/acschembio.6b00510
BindingDB Entry DOI: 10.7270/Q2GF0SBF |
More data for this
Ligand-Target Pair | |
Inorganic pyrophosphatase
(Mycobacterium tuberculosis) | BDBM205473
(PPiase inhibitor, 17)Show SMILES CCCCN(CCCC)c1nc(nc(n1)-c1cccn1CCCc1ccccc1)N1CCCCCC1 Show InChI InChI=1S/C30H44N6/c1-3-5-20-35(21-6-4-2)29-31-28(32-30(33-29)36-22-12-7-8-13-23-36)27-19-15-25-34(27)24-14-18-26-16-10-9-11-17-26/h9-11,15-17,19,25H,3-8,12-14,18,20-24H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.60E+4 | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of Kentucky
| Assay Description
The compounds were first mixed with tetrasodium PPi (final concentration of 100 μM) at concentrations specified in the text in the reaction buff... |
ACS Chem Biol 11: 3084-3092 (2016)
Article DOI: 10.1021/acschembio.6b00510
BindingDB Entry DOI: 10.7270/Q2GF0SBF |
More data for this
Ligand-Target Pair | |
Inorganic pyrophosphatase
(Mycobacterium tuberculosis) | BDBM205469
(PPiase inhibitor, 13)Show SMILES CCCCN(CCCC)c1nc(nc(n1)-c1cccn1-c1ccccc1)N1CCCCCC1 Show InChI InChI=1S/C27H38N6/c1-3-5-18-31(19-6-4-2)26-28-25(29-27(30-26)32-20-12-7-8-13-21-32)24-17-14-22-33(24)23-15-10-9-11-16-23/h9-11,14-17,22H,3-8,12-13,18-21H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.70E+4 | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of Kentucky
| Assay Description
The compounds were first mixed with tetrasodium PPi (final concentration of 100 μM) at concentrations specified in the text in the reaction buff... |
ACS Chem Biol 11: 3084-3092 (2016)
Article DOI: 10.1021/acschembio.6b00510
BindingDB Entry DOI: 10.7270/Q2GF0SBF |
More data for this
Ligand-Target Pair | |
N-acetyltransferase Eis
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50590288
(CHEMBL5184111)Show SMILES CCc1ccc(cc1)C(=O)CCCN1CCC(O)(CC1)c1ccc(Cl)cc1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00239b
BindingDB Entry DOI: 10.7270/Q2417214 |
More data for this
Ligand-Target Pair | |
N-acetyltransferase Eis
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50590301
(CHEMBL5197884) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00239b
BindingDB Entry DOI: 10.7270/Q2417214 |
More data for this
Ligand-Target Pair | |
N-acetyltransferase Eis
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50590286
(CHEMBL5190404)Show SMILES COc1ccc(cc1)C(=O)CCCN1CCC(O)(CC1)c1ccc(Cl)cc1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00239b
BindingDB Entry DOI: 10.7270/Q2417214 |
More data for this
Ligand-Target Pair | |
N-acetyltransferase Eis
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50590293
(CHEMBL5206734)Show SMILES COc1ccc(cc1)C(=O)CCCN1CCC(O)(CC1)c1ccc(F)cc1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00239b
BindingDB Entry DOI: 10.7270/Q2417214 |
More data for this
Ligand-Target Pair | |
N-acetyltransferase Eis
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50590305
(CHEMBL5176318) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00239b
BindingDB Entry DOI: 10.7270/Q2417214 |
More data for this
Ligand-Target Pair | |
Inorganic pyrophosphatase
(Mycobacterium tuberculosis) | BDBM205470
(PPiase inhibitor, 14)Show SMILES CCCCCCN(CCCCCC)c1nc(nc(n1)-c1cccn1-c1ccccc1)N1CCCCCC1 Show InChI InChI=1S/C31H46N6/c1-3-5-7-14-22-35(23-15-8-6-4-2)30-32-29(33-31(34-30)36-24-16-9-10-17-25-36)28-21-18-26-37(28)27-19-12-11-13-20-27/h11-13,18-21,26H,3-10,14-17,22-25H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.40E+4 | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of Kentucky
| Assay Description
The compounds were first mixed with tetrasodium PPi (final concentration of 100 μM) at concentrations specified in the text in the reaction buff... |
ACS Chem Biol 11: 3084-3092 (2016)
Article DOI: 10.1021/acschembio.6b00510
BindingDB Entry DOI: 10.7270/Q2GF0SBF |
More data for this
Ligand-Target Pair | |
Inorganic pyrophosphatase
(Mycobacterium tuberculosis) | BDBM205474
(PPiase inhibitor, 18)Show SMILES CCCCN(CCCC)c1nc(nc(n1)-c1cccn1-c1cc(C)cc(C)c1)N1CCCCCC1 Show InChI InChI=1S/C29H42N6/c1-5-7-15-33(16-8-6-2)28-30-27(31-29(32-28)34-17-11-9-10-12-18-34)26-14-13-19-35(26)25-21-23(3)20-24(4)22-25/h13-14,19-22H,5-12,15-18H2,1-4H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.80E+4 | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of Kentucky
| Assay Description
The compounds were first mixed with tetrasodium PPi (final concentration of 100 μM) at concentrations specified in the text in the reaction buff... |
ACS Chem Biol 11: 3084-3092 (2016)
Article DOI: 10.1021/acschembio.6b00510
BindingDB Entry DOI: 10.7270/Q2GF0SBF |
More data for this
Ligand-Target Pair | |
Inorganic pyrophosphatase
(Escherichia coli (Enterobacteria)) | BDBM205474
(PPiase inhibitor, 18)Show SMILES CCCCN(CCCC)c1nc(nc(n1)-c1cccn1-c1cc(C)cc(C)c1)N1CCCCCC1 Show InChI InChI=1S/C29H42N6/c1-5-7-15-33(16-8-6-2)28-30-27(31-29(32-28)34-17-11-9-10-12-18-34)26-14-13-19-35(26)25-21-23(3)20-24(4)22-25/h13-14,19-22H,5-12,15-18H2,1-4H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.80E+4 | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of Kentucky
| Assay Description
The compounds were first mixed with tetrasodium PPi (final concentration of 100 μM) at concentrations specified in the text in the reaction buff... |
ACS Chem Biol 11: 3084-3092 (2016)
Article DOI: 10.1021/acschembio.6b00510
BindingDB Entry DOI: 10.7270/Q2GF0SBF |
More data for this
Ligand-Target Pair | |
Inorganic pyrophosphatase
(Mycobacterium tuberculosis) | BDBM205475
(PPiase inhibitor, 19)Show SMILES CCCCN(CCCC)c1nc(nc(n1)-c1cccn1C1CCCCC1)N1CCCCCC1 Show InChI InChI=1S/C27H44N6/c1-3-5-18-31(19-6-4-2)26-28-25(29-27(30-26)32-20-12-7-8-13-21-32)24-17-14-22-33(24)23-15-10-9-11-16-23/h14,17,22-23H,3-13,15-16,18-21H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.20E+4 | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of Kentucky
| Assay Description
The compounds were first mixed with tetrasodium PPi (final concentration of 100 μM) at concentrations specified in the text in the reaction buff... |
ACS Chem Biol 11: 3084-3092 (2016)
Article DOI: 10.1021/acschembio.6b00510
BindingDB Entry DOI: 10.7270/Q2GF0SBF |
More data for this
Ligand-Target Pair | |
Probable manganese-dependent inorganic pyrophosphatase
(Staphylococcus aureus (Firmicutes)) | BDBM205473
(PPiase inhibitor, 17)Show SMILES CCCCN(CCCC)c1nc(nc(n1)-c1cccn1CCCc1ccccc1)N1CCCCCC1 Show InChI InChI=1S/C30H44N6/c1-3-5-20-35(21-6-4-2)29-31-28(32-30(33-29)36-22-12-7-8-13-23-36)27-19-15-25-34(27)24-14-18-26-16-10-9-11-17-26/h9-11,15-17,19,25H,3-8,12-14,18,20-24H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.70E+4 | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of Kentucky
| Assay Description
The compounds were first mixed with tetrasodium PPi (final concentration of 100 μM) at concentrations specified in the text in the reaction buff... |
ACS Chem Biol 11: 3084-3092 (2016)
Article DOI: 10.1021/acschembio.6b00510
BindingDB Entry DOI: 10.7270/Q2GF0SBF |
More data for this
Ligand-Target Pair | |
Inorganic pyrophosphatase
(Escherichia coli (Enterobacteria)) | BDBM205469
(PPiase inhibitor, 13)Show SMILES CCCCN(CCCC)c1nc(nc(n1)-c1cccn1-c1ccccc1)N1CCCCCC1 Show InChI InChI=1S/C27H38N6/c1-3-5-18-31(19-6-4-2)26-28-25(29-27(30-26)32-20-12-7-8-13-21-32)24-17-14-22-33(24)23-15-10-9-11-16-23/h9-11,14-17,22H,3-8,12-13,18-21H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.82E+4 | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of Kentucky
| Assay Description
The compounds were first mixed with tetrasodium PPi (final concentration of 100 μM) at concentrations specified in the text in the reaction buff... |
ACS Chem Biol 11: 3084-3092 (2016)
Article DOI: 10.1021/acschembio.6b00510
BindingDB Entry DOI: 10.7270/Q2GF0SBF |
More data for this
Ligand-Target Pair | |
N-acetyltransferase Eis
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50590287
(CHEMBL5183965)Show SMILES Cc1ccc(cc1)C(=O)CCCN1CCC(O)(CC1)c1ccc(Cl)cc1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00239b
BindingDB Entry DOI: 10.7270/Q2417214 |
More data for this
Ligand-Target Pair | |
N-acetyltransferase Eis
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50590300
(CHEMBL5179967) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00239b
BindingDB Entry DOI: 10.7270/Q2417214 |
More data for this
Ligand-Target Pair | |
Probable manganese-dependent inorganic pyrophosphatase
(Staphylococcus aureus (Firmicutes)) | BDBM205472
(PPiase inhibitor, 16)Show SMILES CCCCN(CCCC)c1nc(nc(n1)-c1cccn1CCc1ccccc1)N1CCCCCC1 Show InChI InChI=1S/C29H42N6/c1-3-5-19-34(20-6-4-2)28-30-27(31-29(32-28)35-21-12-7-8-13-22-35)26-17-14-23-33(26)24-18-25-15-10-9-11-16-25/h9-11,14-17,23H,3-8,12-13,18-22,24H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.09E+5 | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of Kentucky
| Assay Description
The compounds were first mixed with tetrasodium PPi (final concentration of 100 μM) at concentrations specified in the text in the reaction buff... |
ACS Chem Biol 11: 3084-3092 (2016)
Article DOI: 10.1021/acschembio.6b00510
BindingDB Entry DOI: 10.7270/Q2GF0SBF |
More data for this
Ligand-Target Pair | |
Inorganic pyrophosphatase
(Mycobacterium tuberculosis) | BDBM205467
(PPiase inhibitor, 11)Show InChI InChI=1S/C21H26ClN5/c1-3-5-14-26(15-6-4-2)21-24-19(23-20(22)25-21)18-13-10-16-27(18)17-11-8-7-9-12-17/h7-13,16H,3-6,14-15H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.10E+5 | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of Kentucky
| Assay Description
The compounds were first mixed with tetrasodium PPi (final concentration of 100 μM) at concentrations specified in the text in the reaction buff... |
ACS Chem Biol 11: 3084-3092 (2016)
Article DOI: 10.1021/acschembio.6b00510
BindingDB Entry DOI: 10.7270/Q2GF0SBF |
More data for this
Ligand-Target Pair | |
Inorganic pyrophosphatase
(Mycobacterium tuberculosis) | BDBM205466
(PPiase inhibitor, 9)Show SMILES C1CCCN(CC1)c1nc(nc(n1)-c1cccn1-c1ccccc1)N1CCCCCC1 Show InChI InChI=1S/C25H32N6/c1-2-9-17-29(16-8-1)24-26-23(27-25(28-24)30-18-10-3-4-11-19-30)22-15-12-20-31(22)21-13-6-5-7-14-21/h5-7,12-15,20H,1-4,8-11,16-19H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.15E+5 | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of Kentucky
| Assay Description
The compounds were first mixed with tetrasodium PPi (final concentration of 100 μM) at concentrations specified in the text in the reaction buff... |
ACS Chem Biol 11: 3084-3092 (2016)
Article DOI: 10.1021/acschembio.6b00510
BindingDB Entry DOI: 10.7270/Q2GF0SBF |
More data for this
Ligand-Target Pair | |
Inorganic pyrophosphatase
(Escherichia coli (Enterobacteria)) | BDBM205475
(PPiase inhibitor, 19)Show SMILES CCCCN(CCCC)c1nc(nc(n1)-c1cccn1C1CCCCC1)N1CCCCCC1 Show InChI InChI=1S/C27H44N6/c1-3-5-18-31(19-6-4-2)26-28-25(29-27(30-26)32-20-12-7-8-13-21-32)24-17-14-22-33(24)23-15-10-9-11-16-23/h14,17,22-23H,3-13,15-16,18-21H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.16E+5 | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of Kentucky
| Assay Description
The compounds were first mixed with tetrasodium PPi (final concentration of 100 μM) at concentrations specified in the text in the reaction buff... |
ACS Chem Biol 11: 3084-3092 (2016)
Article DOI: 10.1021/acschembio.6b00510
BindingDB Entry DOI: 10.7270/Q2GF0SBF |
More data for this
Ligand-Target Pair | |
Inorganic pyrophosphatase
(Mycobacterium tuberculosis) | BDBM205464
(PPiase inhibitor, 1)Show InChI InChI=1S/C17H16N6/c1-2-5-13(6-3-1)23-8-4-7-14(23)15-18-16(21-9-10-21)20-17(19-15)22-11-12-22/h1-8H,9-12H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 1.30E+5 | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of Kentucky
| Assay Description
The compounds were first mixed with tetrasodium PPi (final concentration of 100 μM) at concentrations specified in the text in the reaction buff... |
ACS Chem Biol 11: 3084-3092 (2016)
Article DOI: 10.1021/acschembio.6b00510
BindingDB Entry DOI: 10.7270/Q2GF0SBF |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Inorganic pyrophosphatase
(Escherichia coli (Enterobacteria)) | BDBM205476
(PPiase inhibitor, 20)Show SMILES CCCCCCN(CCCCCC)c1nc(nc(n1)-c1cccn1Cc1ccccc1)N(CCCC)CCCC Show InChI InChI=1S/C34H54N6/c1-5-9-13-18-26-39(27-19-14-10-6-2)34-36-32(35-33(37-34)38(24-11-7-3)25-12-8-4)31-23-20-28-40(31)29-30-21-16-15-17-22-30/h15-17,20-23,28H,5-14,18-19,24-27,29H2,1-4H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.47E+5 | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of Kentucky
| Assay Description
The compounds were first mixed with tetrasodium PPi (final concentration of 100 μM) at concentrations specified in the text in the reaction buff... |
ACS Chem Biol 11: 3084-3092 (2016)
Article DOI: 10.1021/acschembio.6b00510
BindingDB Entry DOI: 10.7270/Q2GF0SBF |
More data for this
Ligand-Target Pair | |
Probable manganese-dependent inorganic pyrophosphatase
(Staphylococcus aureus (Firmicutes)) | BDBM205469
(PPiase inhibitor, 13)Show SMILES CCCCN(CCCC)c1nc(nc(n1)-c1cccn1-c1ccccc1)N1CCCCCC1 Show InChI InChI=1S/C27H38N6/c1-3-5-18-31(19-6-4-2)26-28-25(29-27(30-26)32-20-12-7-8-13-21-32)24-17-14-22-33(24)23-15-10-9-11-16-23/h9-11,14-17,22H,3-8,12-13,18-21H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.55E+5 | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of Kentucky
| Assay Description
The compounds were first mixed with tetrasodium PPi (final concentration of 100 μM) at concentrations specified in the text in the reaction buff... |
ACS Chem Biol 11: 3084-3092 (2016)
Article DOI: 10.1021/acschembio.6b00510
BindingDB Entry DOI: 10.7270/Q2GF0SBF |
More data for this
Ligand-Target Pair | |
Inorganic pyrophosphatase
(Mycobacterium tuberculosis) | BDBM205477
(PPiase inhibitor, 21)Show SMILES Cc1cc(C)cc(c1)-n1cccc1-c1nc(nc(n1)N1CCCCCC1)N1CCCCCC1 Show InChI InChI=1S/C27H36N6/c1-21-18-22(2)20-23(19-21)33-17-11-12-24(33)25-28-26(31-13-7-3-4-8-14-31)30-27(29-25)32-15-9-5-6-10-16-32/h11-12,17-20H,3-10,13-16H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.66E+5 | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of Kentucky
| Assay Description
The compounds were first mixed with tetrasodium PPi (final concentration of 100 μM) at concentrations specified in the text in the reaction buff... |
ACS Chem Biol 11: 3084-3092 (2016)
Article DOI: 10.1021/acschembio.6b00510
BindingDB Entry DOI: 10.7270/Q2GF0SBF |
More data for this
Ligand-Target Pair | |
Inorganic pyrophosphatase
(Saccharomyces cerevisiae (Yeast)) | BDBM205472
(PPiase inhibitor, 16)Show SMILES CCCCN(CCCC)c1nc(nc(n1)-c1cccn1CCc1ccccc1)N1CCCCCC1 Show InChI InChI=1S/C29H42N6/c1-3-5-19-34(20-6-4-2)28-30-27(31-29(32-28)35-21-12-7-8-13-22-35)26-17-14-23-33(26)24-18-25-15-10-9-11-16-25/h9-11,14-17,23H,3-8,12-13,18-22,24H2,1-2H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.79E+5 | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of Kentucky
| Assay Description
The compounds were first mixed with tetrasodium PPi (final concentration of 100 μM) at concentrations specified in the text in the reaction buff... |
ACS Chem Biol 11: 3084-3092 (2016)
Article DOI: 10.1021/acschembio.6b00510
BindingDB Entry DOI: 10.7270/Q2GF0SBF |
More data for this
Ligand-Target Pair | |
N-acetyltransferase Eis
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50590290
(CHEMBL5171543)Show SMILES CC(C)(C)c1ccc(cc1)C(=O)CCCN1CCC(O)(CC1)c1ccc(Cl)cc1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00239b
BindingDB Entry DOI: 10.7270/Q2417214 |
More data for this
Ligand-Target Pair | |
N-acetyltransferase Eis
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50590294
(CHEMBL5172875)Show SMILES CC(C)(C)c1ccc(cc1)C(=O)CCCN1CCC(O)(CC1)c1ccc(F)cc1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1039/d1md00239b
BindingDB Entry DOI: 10.7270/Q2417214 |
More data for this
Ligand-Target Pair | |
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