Found 15 hits Enz. Inhib. hit(s) with all data for entry = 50037960 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 |
|---|
Trans-2-enoyl-ACP reductase II
(Streptococcus pneumoniae) | BDBM50219763
(1-((4-(4-bromophenyl)-1H-imidazol-2-yl)methyl)-3-(...)Show SMILES Brc1ccc(cc1)-c1c[nH]c(CNC(=O)Nc2ncc(Sc3ccccn3)s2)n1 Show InChI InChI=1S/C19H15BrN6OS2/c20-13-6-4-12(5-7-13)14-9-22-15(25-14)10-23-18(27)26-19-24-11-17(29-19)28-16-3-1-2-8-21-16/h1-9,11H,10H2,(H,22,25)(H2,23,24,26,27) | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Meiji Seika Kaisha, Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Streptococcus pneumoniae FabK |
J Med Chem 50: 4710-20 (2007)
Article DOI: 10.1021/jm0705354
BindingDB Entry DOI: 10.7270/Q2NZ88GS |
More data for this
Ligand-Target Pair | |
Trans-2-enoyl-ACP reductase II
(Streptococcus pneumoniae) | BDBM50371156
(CHEMBL390211)Show SMILES Cc1c(Cc2c(Cl)cccc2Cl)c(=O)ccn1CCc1ccc(cc1)-c1c[nH]c(CNC(=O)Nc2nc3ccc(cc3s2)S(C)(=O)=O)n1 Show InChI InChI=1S/C34H30Cl2N6O4S2/c1-20-24(17-25-26(35)4-3-5-27(25)36)30(43)13-15-42(20)14-12-21-6-8-22(9-7-21)29-18-37-32(39-29)19-38-33(44)41-34-40-28-11-10-23(48(2,45)46)16-31(28)47-34/h3-11,13,15-16,18H,12,14,17,19H2,1-2H3,(H,37,39)(H2,38,40,41,44) | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Meiji Seika Kaisha, Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Streptococcus pneumoniae FabK |
J Med Chem 50: 4710-20 (2007)
Article DOI: 10.1021/jm0705354
BindingDB Entry DOI: 10.7270/Q2NZ88GS |
More data for this
Ligand-Target Pair | |
Trans-2-enoyl-ACP reductase II
(Streptococcus pneumoniae) | BDBM50219766
(1-((4-(3-bromophenyl)-1H-imidazol-2-yl)methyl)-3-(...)Show SMILES Brc1cccc(c1)-c1c[nH]c(CNC(=O)Nc2ncc(Sc3ccccn3)s2)n1 Show InChI InChI=1S/C19H15BrN6OS2/c20-13-5-3-4-12(8-13)14-9-22-15(25-14)10-23-18(27)26-19-24-11-17(29-19)28-16-6-1-2-7-21-16/h1-9,11H,10H2,(H,22,25)(H2,23,24,26,27) | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Meiji Seika Kaisha, Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Streptococcus pneumoniae FabK |
J Med Chem 50: 4710-20 (2007)
Article DOI: 10.1021/jm0705354
BindingDB Entry DOI: 10.7270/Q2NZ88GS |
More data for this
Ligand-Target Pair | |
Trans-2-enoyl-ACP reductase II
(Streptococcus pneumoniae) | BDBM50371158
(CHEMBL175157)Show SMILES Cc1c(Cc2c(Cl)cccc2Cl)c(=O)ccn1CCc1ccc(cc1)-c1c[nH]c(CNC(=O)Nc2ncc(s2)S(C)(=O)=O)n1 Show InChI InChI=1S/C30H28Cl2N6O4S2/c1-18-21(14-22-23(31)4-3-5-24(22)32)26(39)11-13-38(18)12-10-19-6-8-20(9-7-19)25-15-33-27(36-25)16-34-29(40)37-30-35-17-28(43-30)44(2,41)42/h3-9,11,13,15,17H,10,12,14,16H2,1-2H3,(H,33,36)(H2,34,35,37,40) | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Meiji Seika Kaisha, Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Streptococcus pneumoniae FabK |
J Med Chem 50: 4710-20 (2007)
Article DOI: 10.1021/jm0705354
BindingDB Entry DOI: 10.7270/Q2NZ88GS |
More data for this
Ligand-Target Pair | |
Trans-2-enoyl-ACP reductase II
(Streptococcus pneumoniae) | BDBM50371150
(CHEMBL244962)Show SMILES Cc1c(Cc2c(Cl)cccc2Cl)c(=O)ccn1CCc1ccc(cc1)-c1c[nH]c(CNC(=O)Nc2ncc(Sc3ccccn3)s2)n1 Show InChI InChI=1S/C34H29Cl2N7O2S2/c1-21-24(17-25-26(35)5-4-6-27(25)36)29(44)13-16-43(21)15-12-22-8-10-23(11-9-22)28-18-38-30(41-28)19-39-33(45)42-34-40-20-32(47-34)46-31-7-2-3-14-37-31/h2-11,13-14,16,18,20H,12,15,17,19H2,1H3,(H,38,41)(H2,39,40,42,45) | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Meiji Seika Kaisha, Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Streptococcus pneumoniae FabK |
J Med Chem 50: 4710-20 (2007)
Article DOI: 10.1021/jm0705354
BindingDB Entry DOI: 10.7270/Q2NZ88GS |
More data for this
Ligand-Target Pair | |
Trans-2-enoyl-ACP reductase II
(Streptococcus pneumoniae) | BDBM50371149
(CHEMBL390895)Show SMILES Cc1c(Cc2c(Cl)cccc2Cl)c(=O)ccn1CCc1ccc(cc1)-c1c[nH]c(CNC(=O)Nc2ncc(Br)s2)n1 Show InChI InChI=1S/C29H25BrCl2N6O2S/c1-17-20(13-21-22(31)3-2-4-23(21)32)25(39)10-12-38(17)11-9-18-5-7-19(8-6-18)24-14-33-27(36-24)16-34-28(40)37-29-35-15-26(30)41-29/h2-8,10,12,14-15H,9,11,13,16H2,1H3,(H,33,36)(H2,34,35,37,40) | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Meiji Seika Kaisha, Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Streptococcus pneumoniae FabK |
J Med Chem 50: 4710-20 (2007)
Article DOI: 10.1021/jm0705354
BindingDB Entry DOI: 10.7270/Q2NZ88GS |
More data for this
Ligand-Target Pair | |
Trans-2-enoyl-ACP reductase II
(Streptococcus pneumoniae) | BDBM50371154
(CHEMBL242241)Show SMILES [O-]C(=O)COc1ccc(cc1)-c1c[nH]c(CNC(=O)Nc2ncc(Sc3ccccn3)s2)n1 Show InChI InChI=1S/C21H18N6O4S2/c28-18(29)12-31-14-6-4-13(5-7-14)15-9-23-16(26-15)10-24-20(30)27-21-25-11-19(33-21)32-17-3-1-2-8-22-17/h1-9,11H,10,12H2,(H,23,26)(H,28,29)(H2,24,25,27,30)/p-1 | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Meiji Seika Kaisha, Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Streptococcus pneumoniae FabK |
J Med Chem 50: 4710-20 (2007)
Article DOI: 10.1021/jm0705354
BindingDB Entry DOI: 10.7270/Q2NZ88GS |
More data for this
Ligand-Target Pair | |
Trans-2-enoyl-ACP reductase II
(Streptococcus pneumoniae) | BDBM50219767
(1-((4-phenyl-1H-imidazol-2-yl)methyl)-3-(5-(pyridi...)Show SMILES O=C(NCc1nc(c[nH]1)-c1ccccc1)Nc1ncc(Sc2ccccn2)s1 Show InChI InChI=1S/C19H16N6OS2/c26-18(22-11-15-21-10-14(24-15)13-6-2-1-3-7-13)25-19-23-12-17(28-19)27-16-8-4-5-9-20-16/h1-10,12H,11H2,(H,21,24)(H2,22,23,25,26) | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Meiji Seika Kaisha, Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Streptococcus pneumoniae FabK |
J Med Chem 50: 4710-20 (2007)
Article DOI: 10.1021/jm0705354
BindingDB Entry DOI: 10.7270/Q2NZ88GS |
More data for this
Ligand-Target Pair | |
Trans-2-enoyl-ACP reductase II
(Streptococcus pneumoniae) | BDBM50371157
(CHEMBL390218)Show SMILES Cc1c(Cc2c(Cl)cccc2Cl)c(=O)ccn1CCCc1ccc(cc1)-c1c[nH]c(CNC(=O)Nc2ncc(Br)s2)n1 Show InChI InChI=1S/C30H27BrCl2N6O2S/c1-18-21(14-22-23(32)5-2-6-24(22)33)26(40)11-13-39(18)12-3-4-19-7-9-20(10-8-19)25-15-34-28(37-25)17-35-29(41)38-30-36-16-27(31)42-30/h2,5-11,13,15-16H,3-4,12,14,17H2,1H3,(H,34,37)(H2,35,36,38,41) | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Meiji Seika Kaisha, Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Streptococcus pneumoniae FabK |
J Med Chem 50: 4710-20 (2007)
Article DOI: 10.1021/jm0705354
BindingDB Entry DOI: 10.7270/Q2NZ88GS |
More data for this
Ligand-Target Pair | |
Trans-2-enoyl-ACP reductase II
(Streptococcus pneumoniae) | BDBM50371152
(CHEMBL242277)Show SMILES Cc1c(Cc2c(Cl)cccc2Cl)c(=O)ccn1C\C=C\c1ccc(cc1)-c1c[nH]c(CNC(=O)Nc2ncc(Br)s2)n1 Show InChI InChI=1S/C30H25BrCl2N6O2S/c1-18-21(14-22-23(32)5-2-6-24(22)33)26(40)11-13-39(18)12-3-4-19-7-9-20(10-8-19)25-15-34-28(37-25)17-35-29(41)38-30-36-16-27(31)42-30/h2-11,13,15-16H,12,14,17H2,1H3,(H,34,37)(H2,35,36,38,41)/b4-3+ | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Meiji Seika Kaisha, Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Streptococcus pneumoniae FabK |
J Med Chem 50: 4710-20 (2007)
Article DOI: 10.1021/jm0705354
BindingDB Entry DOI: 10.7270/Q2NZ88GS |
More data for this
Ligand-Target Pair | |
Trans-2-enoyl-ACP reductase II
(Streptococcus pneumoniae) | BDBM50371153
(CHEMBL242242)Show SMILES Cc1c(Cc2c(Cl)cccc2Cl)c(=O)ccn1Cc1ccc(cc1)-c1c[nH]c(CNC(=O)Nc2ncc(Br)s2)n1 Show InChI InChI=1S/C28H23BrCl2N6O2S/c1-16-19(11-20-21(30)3-2-4-22(20)31)24(38)9-10-37(16)15-17-5-7-18(8-6-17)23-12-32-26(35-23)14-33-27(39)36-28-34-13-25(29)40-28/h2-10,12-13H,11,14-15H2,1H3,(H,32,35)(H2,33,34,36,39) | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Meiji Seika Kaisha, Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Streptococcus pneumoniae FabK |
J Med Chem 50: 4710-20 (2007)
Article DOI: 10.1021/jm0705354
BindingDB Entry DOI: 10.7270/Q2NZ88GS |
More data for this
Ligand-Target Pair | |
Trans-2-enoyl-ACP reductase II
(Streptococcus pneumoniae) | BDBM50371148
(CHEMBL428739)Show SMILES Cc1c(Cc2c(Cl)cccc2Cl)c(=O)ccn1\C=C\c1ccc(cc1)-c1c[nH]c(CNC(=O)Nc2ncc(Br)s2)n1 Show InChI InChI=1S/C29H23BrCl2N6O2S/c1-17-20(13-21-22(31)3-2-4-23(21)32)25(39)10-12-38(17)11-9-18-5-7-19(8-6-18)24-14-33-27(36-24)16-34-28(40)37-29-35-15-26(30)41-29/h2-12,14-15H,13,16H2,1H3,(H,33,36)(H2,34,35,37,40)/b11-9+ | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Meiji Seika Kaisha, Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Streptococcus pneumoniae FabK |
J Med Chem 50: 4710-20 (2007)
Article DOI: 10.1021/jm0705354
BindingDB Entry DOI: 10.7270/Q2NZ88GS |
More data for this
Ligand-Target Pair | |
Trans-2-enoyl-ACP reductase II
(Streptococcus pneumoniae) | BDBM50371155
(CHEMBL245237 | SB-611113)Show SMILES Cn1cc(CNC(=O)\C=C\c2cnc3NC(=O)CCc3c2)c2ccccc12 Show InChI InChI=1S/C21H20N4O2/c1-25-13-16(17-4-2-3-5-18(17)25)12-22-19(26)8-6-14-10-15-7-9-20(27)24-21(15)23-11-14/h2-6,8,10-11,13H,7,9,12H2,1H3,(H,22,26)(H,23,24,27)/b8-6+ | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Meiji Seika Kaisha, Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Streptococcus pneumoniae FabK |
J Med Chem 50: 4710-20 (2007)
Article DOI: 10.1021/jm0705354
BindingDB Entry DOI: 10.7270/Q2NZ88GS |
More data for this
Ligand-Target Pair | |
Trans-2-enoyl-ACP reductase II
(Streptococcus pneumoniae) | BDBM50371151
(CHEMBL242457)Show SMILES Cc1c(Cc2c(Cl)cccc2Cl)c(=O)ccn1CCc1ccc(cc1)-c1c[nH]c(CNC(=O)Nc2ncc[nH]2)n1 Show InChI InChI=1S/C29H27Cl2N7O2/c1-18-21(15-22-23(30)3-2-4-24(22)31)26(39)10-14-38(18)13-9-19-5-7-20(8-6-19)25-16-34-27(36-25)17-35-29(40)37-28-32-11-12-33-28/h2-8,10-12,14,16H,9,13,15,17H2,1H3,(H,34,36)(H3,32,33,35,37,40) | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >3.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Meiji Seika Kaisha, Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Streptococcus pneumoniae FabK |
J Med Chem 50: 4710-20 (2007)
Article DOI: 10.1021/jm0705354
BindingDB Entry DOI: 10.7270/Q2NZ88GS |
More data for this
Ligand-Target Pair | |
Trans-2-enoyl-ACP reductase II
(Streptococcus pneumoniae) | BDBM8726
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >3.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Meiji Seika Kaisha, Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of Streptococcus pneumoniae FabK |
J Med Chem 50: 4710-20 (2007)
Article DOI: 10.1021/jm0705354
BindingDB Entry DOI: 10.7270/Q2NZ88GS |
More data for this
Ligand-Target Pair | |
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