Found 578 hits of ic50 data for polymerid = 1027,1028,1654,50005737 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 |
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
(Escherichia coli) | BDBM50481111
(CHEMBL566647)Show SMILES CN(Cc1sc2ccccc2c1C)C(=O)\C=C\c1cnc2NC(=O)C3(CCNCC3)Cc2c1 Show InChI InChI=1S/C26H28N4O2S/c1-17-20-5-3-4-6-21(20)33-22(17)16-30(2)23(31)8-7-18-13-19-14-26(9-11-27-12-10-26)25(32)29-24(19)28-15-18/h3-8,13,15,27H,9-12,14,16H2,1-2H3,(H,28,29,32)/b8-7+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Affinium Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli FabI assessed as effect on NAD(P)H consumption |
Bioorg Med Chem Lett 19: 5355-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.129 BindingDB Entry DOI: 10.7270/Q21G0Q2B |
More data for this Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
(Escherichia coli) | BDBM50481110
(CHEMBL586043)Show SMILES CN(Cc1oc2ccccc2c1C)C(=O)\C=C\c1cnc2NC(=O)C3(CCNCC3)Cc2c1 Show InChI InChI=1S/C26H28N4O3/c1-17-20-5-3-4-6-21(20)33-22(17)16-30(2)23(31)8-7-18-13-19-14-26(9-11-27-12-10-26)25(32)29-24(19)28-15-18/h3-8,13,15,27H,9-12,14,16H2,1-2H3,(H,28,29,32)/b8-7+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Affinium Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli FabI assessed as effect on NAD(P)H consumption |
Bioorg Med Chem Lett 19: 5355-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.129 BindingDB Entry DOI: 10.7270/Q21G0Q2B |
More data for this Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
(Escherichia coli) | BDBM50481112
(CHEMBL567711)Show SMILES CN(Cc1oc2ccccc2c1C)C(=O)\C=C\c1cnc2NC(=O)C3(CCN(C)CC3)Cc2c1 Show InChI InChI=1S/C27H30N4O3/c1-18-21-6-4-5-7-22(21)34-23(18)17-31(3)24(32)9-8-19-14-20-15-27(10-12-30(2)13-11-27)26(33)29-25(20)28-16-19/h4-9,14,16H,10-13,15,17H2,1-3H3,(H,28,29,33)/b9-8+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Affinium Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli FabI assessed as effect on NAD(P)H consumption |
Bioorg Med Chem Lett 19: 5355-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.129 BindingDB Entry DOI: 10.7270/Q21G0Q2B |
More data for this Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50448871
(CHEMBL3125101)Show SMILES CCc1cc(C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2coc3ccccc23)C(=O)NCc2ccc3COB(O)c3c2)n(CC)n1 |r| Show InChI InChI=1S/C30H32BN5O6/c1-3-20-12-26(36(4-2)34-20)29(38)33-21-13-25(28(37)32-14-18-9-10-19-16-42-31(40)24(19)11-18)35(15-21)30(39)23-17-41-27-8-6-5-7-22(23)27/h5-12,17,21,25,40H,3-4,13-16H2,1-2H3,(H,32,37)(H,33,38)/t21-,25+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis full length biotinylated InhA (270 amino acids) using DDCoA as substrate assessed as NADH oxidation by fluor... |
J Med Chem 57: 1276-88 (2014)
Article DOI: 10.1021/jm401326j BindingDB Entry DOI: 10.7270/Q2NP25XB |
More data for this Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50448867
(CHEMBL3125235)Show SMILES CCc1cc(C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2coc3ccccc23)C(=O)NCc2ccccn2)n(CC)n1 |r| Show InChI InChI=1S/C28H30N6O4/c1-3-18-13-24(34(4-2)32-18)27(36)31-20-14-23(26(35)30-15-19-9-7-8-12-29-19)33(16-20)28(37)22-17-38-25-11-6-5-10-21(22)25/h5-13,17,20,23H,3-4,14-16H2,1-2H3,(H,30,35)(H,31,36)/t20-,23+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis full length biotinylated InhA (270 amino acids) using DDCoA as substrate assessed as NADH oxidation by fluor... |
J Med Chem 57: 1276-88 (2014)
Article DOI: 10.1021/jm401326j BindingDB Entry DOI: 10.7270/Q2NP25XB |
More data for this Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
(Escherichia coli) | BDBM50481108
(CHEMBL566665)Show SMILES CN(Cc1sc2ccccc2c1C)C(=O)\C=C\c1cnc2NC(=O)C3(CCN(C)CC3)Cc2c1 Show InChI InChI=1S/C27H30N4O2S/c1-18-21-6-4-5-7-22(21)34-23(18)17-31(3)24(32)9-8-19-14-20-15-27(10-12-30(2)13-11-27)26(33)29-25(20)28-16-19/h4-9,14,16H,10-13,15,17H2,1-3H3,(H,28,29,33)/b9-8+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Affinium Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli FabI assessed as effect on NAD(P)H consumption |
Bioorg Med Chem Lett 19: 5355-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.129 BindingDB Entry DOI: 10.7270/Q21G0Q2B |
More data for this Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50443004
(CHEMBL3088173)Show SMILES Cc1csc(n1)C(C)(O)c1nnc(Nc2ccn(Cc3c(F)cccc3F)n2)s1 Show InChI InChI=1S/C18H16F2N6OS2/c1-10-9-28-15(21-10)18(2,27)16-23-24-17(29-16)22-14-6-7-26(25-14)8-11-12(19)4-3-5-13(11)20/h3-7,9,27H,8H2,1-2H3,(H,22,24,25) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis InhA using dodecenoyl-CoA as substrate in presence of NADH by fluorimetric analysis |
Eur J Med Chem 146: 318-343 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.047 BindingDB Entry DOI: 10.7270/Q2GF0X12 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50448888
(CHEMBL3125253)Show SMILES CCc1cc(C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2coc3ccccc23)C(=O)Nc2cnn(CC)n2)n(C)n1 |r| Show InChI InChI=1S/C25H28N8O4/c1-4-15-10-19(31(3)29-15)23(34)27-16-11-20(24(35)28-22-12-26-33(5-2)30-22)32(13-16)25(36)18-14-37-21-9-7-6-8-17(18)21/h6-10,12,14,16,20H,4-5,11,13H2,1-3H3,(H,27,34)(H,28,30,35)/t16-,20+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis full length biotinylated InhA (270 amino acids) using DDCoA as substrate assessed as NADH oxidation by fluor... |
J Med Chem 57: 1276-88 (2014)
Article DOI: 10.1021/jm401326j BindingDB Entry DOI: 10.7270/Q2NP25XB |
More data for this Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50448880
(CHEMBL3125261)Show SMILES CCc1cc(C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2coc3ccccc23)C(=O)NCc2nc3ccccc3o2)n(C)n1 |r| Show InChI InChI=1S/C29H28N6O5/c1-3-17-12-22(34(2)33-17)28(37)31-18-13-23(27(36)30-14-26-32-21-9-5-7-11-25(21)40-26)35(15-18)29(38)20-16-39-24-10-6-4-8-19(20)24/h4-12,16,18,23H,3,13-15H2,1-2H3,(H,30,36)(H,31,37)/t18-,23+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis full length biotinylated InhA (270 amino acids) using DDCoA as substrate assessed as NADH oxidation by fluor... |
J Med Chem 57: 1276-88 (2014)
Article DOI: 10.1021/jm401326j BindingDB Entry DOI: 10.7270/Q2NP25XB |
More data for this Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50448875
(CHEMBL3125266)Show SMILES CCc1cc(C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2coc3ccccc23)C(=O)NCC(=O)OC)n(CC)n1 |r| Show InChI InChI=1S/C25H29N5O6/c1-4-15-10-20(30(5-2)28-15)24(33)27-16-11-19(23(32)26-12-22(31)35-3)29(13-16)25(34)18-14-36-21-9-7-6-8-17(18)21/h6-10,14,16,19H,4-5,11-13H2,1-3H3,(H,26,32)(H,27,33)/t16-,19+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis full length biotinylated InhA (270 amino acids) using DDCoA as substrate assessed as NADH oxidation by fluor... |
J Med Chem 57: 1276-88 (2014)
Article DOI: 10.1021/jm401326j BindingDB Entry DOI: 10.7270/Q2NP25XB |
More data for this Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50448868
(CHEMBL3125104)Show SMILES CCc1cc(C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2coc3ccccc23)C(=O)NCCO)n(CC)n1 |r| Show InChI InChI=1S/C24H29N5O5/c1-3-15-11-20(29(4-2)27-15)23(32)26-16-12-19(22(31)25-9-10-30)28(13-16)24(33)18-14-34-21-8-6-5-7-17(18)21/h5-8,11,14,16,19,30H,3-4,9-10,12-13H2,1-2H3,(H,25,31)(H,26,32)/t16-,19+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis full length biotinylated InhA (270 amino acids) using DDCoA as substrate assessed as NADH oxidation by fluor... |
J Med Chem 57: 1276-88 (2014)
Article DOI: 10.1021/jm401326j BindingDB Entry DOI: 10.7270/Q2NP25XB |
More data for this Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50442997
(CHEMBL3088172)Show SMILES Cc1csc(n1)[C@](C)(O)c1nnc(Nc2ccn(Cc3c(F)cccc3F)n2)s1 |r| Show InChI InChI=1S/C18H16F2N6OS2/c1-10-9-28-15(21-10)18(2,27)16-23-24-17(29-16)22-14-6-7-26(25-14)8-11-12(19)4-3-5-13(11)20/h3-7,9,27H,8H2,1-2H3,(H,22,24,25)/t18-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca India Pvt. Ltd.
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis full length inhA expressed in Escherichia coli BL21 preincubated for 15 mins by fluorescence based assay in ... |
J Med Chem 56: 8533-42 (2013)
Article DOI: 10.1021/jm4012033 BindingDB Entry DOI: 10.7270/Q2SB4769 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50448869
(CHEMBL3125103)Show SMILES CCc1cc(C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2coc3ccccc23)C(=O)NCCc2ccccn2)n(CC)n1 |r| Show InChI InChI=1S/C29H32N6O4/c1-3-19-15-25(35(4-2)33-19)28(37)32-21-16-24(27(36)31-14-12-20-9-7-8-13-30-20)34(17-21)29(38)23-18-39-26-11-6-5-10-22(23)26/h5-11,13,15,18,21,24H,3-4,12,14,16-17H2,1-2H3,(H,31,36)(H,32,37)/t21-,24+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis full length biotinylated InhA (270 amino acids) using DDCoA as substrate assessed as NADH oxidation by fluor... |
J Med Chem 57: 1276-88 (2014)
Article DOI: 10.1021/jm401326j BindingDB Entry DOI: 10.7270/Q2NP25XB |
More data for this Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50443004
(CHEMBL3088173)Show SMILES Cc1csc(n1)C(C)(O)c1nnc(Nc2ccn(Cc3c(F)cccc3F)n2)s1 Show InChI InChI=1S/C18H16F2N6OS2/c1-10-9-28-15(21-10)18(2,27)16-23-24-17(29-16)22-14-6-7-26(25-14)8-11-12(19)4-3-5-13(11)20/h3-7,9,27H,8H2,1-2H3,(H,22,24,25) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca India Pvt. Ltd.
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis full length inhA expressed in Escherichia coli BL21 preincubated for 15 mins by fluorescence based assay in ... |
J Med Chem 56: 8533-42 (2013)
Article DOI: 10.1021/jm4012033 BindingDB Entry DOI: 10.7270/Q2SB4769 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50448885
(CHEMBL3125256)Show SMILES CCc1cc(C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2coc3ccccc23)C(=O)Nc2ccn(Cc3c(F)cccc3F)n2)n(C)n1 |r| Show InChI InChI=1S/C31H29F2N7O4/c1-3-18-13-25(38(2)36-18)29(41)34-19-14-26(40(15-19)31(43)22-17-44-27-10-5-4-7-20(22)27)30(42)35-28-11-12-39(37-28)16-21-23(32)8-6-9-24(21)33/h4-13,17,19,26H,3,14-16H2,1-2H3,(H,34,41)(H,35,37,42)/t19-,26+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis full length biotinylated InhA (270 amino acids) using DDCoA as substrate assessed as NADH oxidation by fluor... |
J Med Chem 57: 1276-88 (2014)
Article DOI: 10.1021/jm401326j BindingDB Entry DOI: 10.7270/Q2NP25XB |
More data for this Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50448866
(CHEMBL3125270)Show SMILES CCc1cc(C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2coc3ccccc23)C(N)=O)n(CC)n1 |r| Show InChI InChI=1S/C22H25N5O4/c1-3-13-9-18(27(4-2)25-13)21(29)24-14-10-17(20(23)28)26(11-14)22(30)16-12-31-19-8-6-5-7-15(16)19/h5-9,12,14,17H,3-4,10-11H2,1-2H3,(H2,23,28)(H,24,29)/t14-,17+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis full length biotinylated InhA (270 amino acids) using DDCoA as substrate assessed as NADH oxidation by fluor... |
J Med Chem 57: 1276-88 (2014)
Article DOI: 10.1021/jm401326j BindingDB Entry DOI: 10.7270/Q2NP25XB |
More data for this Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50448870
(CHEMBL3125102)Show SMILES CCc1cc(C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2coc3ccccc23)C(=O)NCc2nc(C)no2)n(CC)n1 |r| Show InChI InChI=1S/C26H29N7O5/c1-4-16-10-21(33(5-2)30-16)25(35)29-17-11-20(24(34)27-12-23-28-15(3)31-38-23)32(13-17)26(36)19-14-37-22-9-7-6-8-18(19)22/h6-10,14,17,20H,4-5,11-13H2,1-3H3,(H,27,34)(H,29,35)/t17-,20+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis full length biotinylated InhA (270 amino acids) using DDCoA as substrate assessed as NADH oxidation by fluor... |
J Med Chem 57: 1276-88 (2014)
Article DOI: 10.1021/jm401326j BindingDB Entry DOI: 10.7270/Q2NP25XB |
More data for this Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50443004
(CHEMBL3088173)Show SMILES Cc1csc(n1)C(C)(O)c1nnc(Nc2ccn(Cc3c(F)cccc3F)n2)s1 Show InChI InChI=1S/C18H16F2N6OS2/c1-10-9-28-15(21-10)18(2,27)16-23-24-17(29-16)22-14-6-7-26(25-14)8-11-12(19)4-3-5-13(11)20/h3-7,9,27H,8H2,1-2H3,(H,22,24,25) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50481812
(CHEMBL5284077)Show InChI InChI=1S/C14H14N2O3S/c15-20(18,19)13-7-5-11(6-8-13)9-16-10-12-3-1-2-4-14(12)17/h1-8,10,17H,9H2,(H2,15,18,19)/b16-10+ | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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PC cid PC sid UniChem
| | n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM16298
(5-Octyl-2-phenoxy-phenol | 5-heptyl-2-phenoxylphen...)Show InChI InChI=1S/C20H26O2/c1-2-3-4-5-6-8-11-17-14-15-20(19(21)16-17)22-18-12-9-7-10-13-18/h7,9-10,12-16,21H,2-6,8,11H2,1H3 | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | 6.8 | 22 |
SUNY Stony Brook
| Assay Description The assay measured the NADH-dependent catalysis of a DD-CoA substrate as a decrease in 340 nm absorbance resulting from conversion of NADH to NAD. Th... |
ACS Chem Biol 1: 43-53 (2006)
Article DOI: 10.1021/cb0500042 BindingDB Entry DOI: 10.7270/Q2K35RWK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50448886
(CHEMBL3125255)Show SMILES CCc1cc(C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2coc3ccccc23)C(=O)Nc2ccn(Cc3ccc(F)cc3)n2)n(C)n1 |r| Show InChI InChI=1S/C31H30FN7O4/c1-3-21-14-25(37(2)35-21)29(40)33-22-15-26(39(17-22)31(42)24-18-43-27-7-5-4-6-23(24)27)30(41)34-28-12-13-38(36-28)16-19-8-10-20(32)11-9-19/h4-14,18,22,26H,3,15-17H2,1-2H3,(H,33,40)(H,34,36,41)/t22-,26+/m1/s1 | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis full length biotinylated InhA (270 amino acids) using DDCoA as substrate assessed as NADH oxidation by fluor... |
J Med Chem 57: 1276-88 (2014)
Article DOI: 10.1021/jm401326j BindingDB Entry DOI: 10.7270/Q2NP25XB |
More data for this Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50448882
(CHEMBL3125259)Show SMILES CCc1cc(C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2coc3ccccc23)C(=O)NCc2ncco2)n(C)n1 |r| Show InChI InChI=1S/C25H26N6O5/c1-3-15-10-19(30(2)29-15)24(33)28-16-11-20(23(32)27-12-22-26-8-9-35-22)31(13-16)25(34)18-14-36-21-7-5-4-6-17(18)21/h4-10,14,16,20H,3,11-13H2,1-2H3,(H,27,32)(H,28,33)/t16-,20+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis full length biotinylated InhA (270 amino acids) using DDCoA as substrate assessed as NADH oxidation by fluor... |
J Med Chem 57: 1276-88 (2014)
Article DOI: 10.1021/jm401326j BindingDB Entry DOI: 10.7270/Q2NP25XB |
More data for this Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM16298
(5-Octyl-2-phenoxy-phenol | 5-heptyl-2-phenoxylphen...)Show InChI InChI=1S/C20H26O2/c1-2-3-4-5-6-8-11-17-14-15-20(19(21)16-17)22-18-12-9-7-10-13-18/h7,9-10,12-16,21H,2-6,8,11H2,1H3 | PDB MMDB
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UniProtKB/SwissProt
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| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis recombinant InhA expressed in Escherichia coli using trans-2-dodecenoyl-coenzyme-A as substrate |
Eur J Med Chem 52: 275-83 (2012)
Article DOI: 10.1016/j.ejmech.2012.03.029 BindingDB Entry DOI: 10.7270/Q2TB17XW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50448864
(CHEMBL3125276)Show SMILES CCc1cc(C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2coc3ccccc23)C(=O)NCC(=O)OC)n(C)n1 |r| Show InChI InChI=1S/C24H27N5O6/c1-4-14-9-18(28(2)27-14)23(32)26-15-10-19(22(31)25-11-21(30)34-3)29(12-15)24(33)17-13-35-20-8-6-5-7-16(17)20/h5-9,13,15,19H,4,10-12H2,1-3H3,(H,25,31)(H,26,32)/t15-,19+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis full length biotinylated InhA (270 amino acids) using DDCoA as substrate assessed as NADH oxidation by fluor... |
J Med Chem 57: 1276-88 (2014)
Article DOI: 10.1021/jm401326j BindingDB Entry DOI: 10.7270/Q2NP25XB |
More data for this Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50448845
(CHEMBL3125240)Show SMILES CCc1cc(C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2coc3ccccc23)C(=O)NCc2ccc(OC(F)(F)F)cc2)n(C)n1 |r| Show InChI InChI=1S/C29H28F3N5O5/c1-3-18-12-23(36(2)35-18)27(39)34-19-13-24(26(38)33-14-17-8-10-20(11-9-17)42-29(30,31)32)37(15-19)28(40)22-16-41-25-7-5-4-6-21(22)25/h4-12,16,19,24H,3,13-15H2,1-2H3,(H,33,38)(H,34,39)/t19-,24+/m1/s1 | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis full length biotinylated InhA (270 amino acids) using DDCoA as substrate assessed as NADH oxidation by fluor... |
J Med Chem 57: 1276-88 (2014)
Article DOI: 10.1021/jm401326j BindingDB Entry DOI: 10.7270/Q2NP25XB |
More data for this Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
(Escherichia coli) | 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
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of London
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli FabI using 2-dodecenoyl-CoA as substrate at pH 8 |
J Nat Prod 76: 1064-70 (2013)
Article DOI: 10.1021/np400083k BindingDB Entry DOI: 10.7270/Q2S75K77 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50448838
(CHEMBL3125247)Show SMILES CCc1cc(C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2coc3ccccc23)C(=O)NCCc2ccc(F)cc2)n(C)n1 |r| Show InChI InChI=1S/C29H30FN5O4/c1-3-20-14-24(34(2)33-20)28(37)32-21-15-25(27(36)31-13-12-18-8-10-19(30)11-9-18)35(16-21)29(38)23-17-39-26-7-5-4-6-22(23)26/h4-11,14,17,21,25H,3,12-13,15-16H2,1-2H3,(H,31,36)(H,32,37)/t21-,25+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis full length biotinylated InhA (270 amino acids) using DDCoA as substrate assessed as NADH oxidation by fluor... |
J Med Chem 57: 1276-88 (2014)
Article DOI: 10.1021/jm401326j BindingDB Entry DOI: 10.7270/Q2NP25XB |
More data for this Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50448881
(CHEMBL3125260)Show SMILES CCc1cc(C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2coc3ccccc23)C(=O)NCc2nc(C)no2)n(C)n1 |r| Show InChI InChI=1S/C25H27N7O5/c1-4-15-9-19(31(3)29-15)24(34)28-16-10-20(23(33)26-11-22-27-14(2)30-37-22)32(12-16)25(35)18-13-36-21-8-6-5-7-17(18)21/h5-9,13,16,20H,4,10-12H2,1-3H3,(H,26,33)(H,28,34)/t16-,20+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis full length biotinylated InhA (270 amino acids) using DDCoA as substrate assessed as NADH oxidation by fluor... |
J Med Chem 57: 1276-88 (2014)
Article DOI: 10.1021/jm401326j BindingDB Entry DOI: 10.7270/Q2NP25XB |
More data for this Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
(Escherichia coli) | BDBM50481114
(CHEMBL566043)Show SMILES CN(Cc1sc2ccccc2c1C)C(=O)\C=C\c1cnc2NC(=O)N(CCN3CCOCC3)Cc2c1 Show InChI InChI=1S/C27H31N5O3S/c1-19-22-5-3-4-6-23(22)36-24(19)18-30(2)25(33)8-7-20-15-21-17-32(27(34)29-26(21)28-16-20)10-9-31-11-13-35-14-12-31/h3-8,15-16H,9-14,17-18H2,1-2H3,(H,28,29,34)/b8-7+ | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Affinium Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli FabI assessed as effect on NAD(P)H consumption |
Bioorg Med Chem Lett 19: 5355-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.129 BindingDB Entry DOI: 10.7270/Q21G0Q2B |
More data for this Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50448889
(CHEMBL3125252)Show SMILES CCc1cc(C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2coc3ccccc23)C(=O)Nc2ccn(C)n2)n(C)n1 |r| Show InChI InChI=1S/C25H27N7O4/c1-4-15-11-19(31(3)28-15)23(33)26-16-12-20(24(34)27-22-9-10-30(2)29-22)32(13-16)25(35)18-14-36-21-8-6-5-7-17(18)21/h5-11,14,16,20H,4,12-13H2,1-3H3,(H,26,33)(H,27,29,34)/t16-,20+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis full length biotinylated InhA (270 amino acids) using DDCoA as substrate assessed as NADH oxidation by fluor... |
J Med Chem 57: 1276-88 (2014)
Article DOI: 10.1021/jm401326j BindingDB Entry DOI: 10.7270/Q2NP25XB |
More data for this Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50448890
(CHEMBL3125251)Show SMILES CCc1cc(C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2coc3ccccc23)C(=O)Nc2nc(C)co2)n(C)n1 |r| Show InChI InChI=1S/C25H26N6O5/c1-4-15-9-19(30(3)29-15)22(32)27-16-10-20(23(33)28-25-26-14(2)12-36-25)31(11-16)24(34)18-13-35-21-8-6-5-7-17(18)21/h5-9,12-13,16,20H,4,10-11H2,1-3H3,(H,27,32)(H,26,28,33)/t16-,20+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis full length biotinylated InhA (270 amino acids) using DDCoA as substrate assessed as NADH oxidation by fluor... |
J Med Chem 57: 1276-88 (2014)
Article DOI: 10.1021/jm401326j BindingDB Entry DOI: 10.7270/Q2NP25XB |
More data for this Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
(Escherichia coli) | BDBM50481103
(CHEMBL583197)Show SMILES CN(Cc1sc2ccccc2c1C)C(=O)\C=C\c1cnc2NCCNCc2c1 Show InChI InChI=1S/C22H24N4OS/c1-15-18-5-3-4-6-19(18)28-20(15)14-26(2)21(27)8-7-16-11-17-13-23-9-10-24-22(17)25-12-16/h3-8,11-12,23H,9-10,13-14H2,1-2H3,(H,24,25)/b8-7+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Affinium Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli FabI |
Bioorg Med Chem Lett 19: 5359-62 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.094 BindingDB Entry DOI: 10.7270/Q2571FT3 |
More data for this Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50448843
(CHEMBL3125242)Show SMILES CCc1cc(C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2coc3ccccc23)C(=O)NCc2ccc(F)c(F)c2)n(C)n1 |r| Show InChI InChI=1S/C28H27F2N5O4/c1-3-17-11-23(34(2)33-17)27(37)32-18-12-24(26(36)31-13-16-8-9-21(29)22(30)10-16)35(14-18)28(38)20-15-39-25-7-5-4-6-19(20)25/h4-11,15,18,24H,3,12-14H2,1-2H3,(H,31,36)(H,32,37)/t18-,24+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis full length biotinylated InhA (270 amino acids) using DDCoA as substrate assessed as NADH oxidation by fluor... |
J Med Chem 57: 1276-88 (2014)
Article DOI: 10.1021/jm401326j BindingDB Entry DOI: 10.7270/Q2NP25XB |
More data for this Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50296318
(CHEMBL4177124)Show InChI InChI=1S/C18H21BrO2/c1-2-3-4-5-8-14-11-12-18(16(20)13-14)21-17-10-7-6-9-15(17)19/h6-7,9-13,20H,2-5,8H2,1H3 | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis InhA |
Eur J Med Chem 146: 318-343 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.047 BindingDB Entry DOI: 10.7270/Q2GF0X12 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
(Escherichia coli) | BDBM50594236
(CHEMBL5190472)Show SMILES Cl.CN(Cc1oc2ccccc2c1C)C(=O)\C=C\c1cnc2NC(=O)[C@H](N)CNc2c1 |r| | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00123 BindingDB Entry DOI: 10.7270/Q2B56PRV |
More data for this Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
(Escherichia coli) | BDBM50594237
(CHEMBL5190373)Show SMILES Cl.CN(Cc1oc2ccccc2c1C)C(=O)\C=C\c1cnc2NC(=O)[C@H](N)CCc2c1 |r| | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00123 BindingDB Entry DOI: 10.7270/Q2B56PRV |
More data for this Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
(Escherichia coli) | BDBM50594241
(CHEMBL5196531)Show SMILES CN(Cc1c(C)oc2c(N)cccc12)C(=O)\C=C\c1cnc2NC(=O)C(CCc2c1)N1CCCC1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00123 BindingDB Entry DOI: 10.7270/Q2B56PRV |
More data for this Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
(Escherichia coli) | BDBM50594239
(CHEMBL5200486)Show SMILES CN(Cc1oc2ccccc2c1C)C(=O)\C=C\c1cnc2NC(=O)[C@@H](CCc2c1)N1CCCC1 |r| | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00123 BindingDB Entry DOI: 10.7270/Q2B56PRV |
More data for this Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
(Escherichia coli) | BDBM50594240
(CHEMBL5202156)Show SMILES C[C@H]1CN(C[C@@H](C)O1)[C@@H]1CNc2cc(\C=C\C(=O)N(C)Cc3oc4ccccc4c3C)cnc2NC1=O |r| | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00123 BindingDB Entry DOI: 10.7270/Q2B56PRV |
More data for this Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
(Escherichia coli) | BDBM50594238
(CHEMBL5205550)Show SMILES Cl.CN(Cc1sc2ccccc2c1C)C(=O)\C=C\c1cnc2CC(=O)[C@H](N)CCc2c1 |r| | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00123 BindingDB Entry DOI: 10.7270/Q2B56PRV |
More data for this Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM16297
(5-Hexyl-2-phenoxy-phenol | 5-hexyl-2-phenoxylpheno...)Show InChI InChI=1S/C18H22O2/c1-2-3-4-6-9-15-12-13-18(17(19)14-15)20-16-10-7-5-8-11-16/h5,7-8,10-14,19H,2-4,6,9H2,1H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | 6.8 | 22 |
SUNY Stony Brook
| Assay Description The assay measured the NADH-dependent catalysis of a DD-CoA substrate as a decrease in 340 nm absorbance resulting from conversion of NADH to NAD. Th... |
ACS Chem Biol 1: 43-53 (2006)
Article DOI: 10.1021/cb0500042 BindingDB Entry DOI: 10.7270/Q2K35RWK |
More data for this Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50448874
(CHEMBL3125267)Show SMILES CCCn1nc(CC)cc1C(=O)N[C@@H]1C[C@H](N(C1)C(=O)c1coc2ccccc12)C(=O)NCC(=O)OC |r| Show InChI InChI=1S/C26H31N5O6/c1-4-10-31-21(11-16(5-2)29-31)25(34)28-17-12-20(24(33)27-13-23(32)36-3)30(14-17)26(35)19-15-37-22-9-7-6-8-18(19)22/h6-9,11,15,17,20H,4-5,10,12-14H2,1-3H3,(H,27,33)(H,28,34)/t17-,20+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis full length biotinylated InhA (270 amino acids) using DDCoA as substrate assessed as NADH oxidation by fluor... |
J Med Chem 57: 1276-88 (2014)
Article DOI: 10.1021/jm401326j BindingDB Entry DOI: 10.7270/Q2NP25XB |
More data for this Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50448841
(CHEMBL3125244)Show SMILES CCc1cc(C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2coc3ccccc23)C(=O)Nc2ccccn2)n(C)n1 |r| Show InChI InChI=1S/C26H26N6O4/c1-3-16-12-20(31(2)30-16)24(33)28-17-13-21(25(34)29-23-10-6-7-11-27-23)32(14-17)26(35)19-15-36-22-9-5-4-8-18(19)22/h4-12,15,17,21H,3,13-14H2,1-2H3,(H,28,33)(H,27,29,34)/t17-,21+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis full length biotinylated InhA (270 amino acids) using DDCoA as substrate assessed as NADH oxidation by fluor... |
J Med Chem 57: 1276-88 (2014)
Article DOI: 10.1021/jm401326j BindingDB Entry DOI: 10.7270/Q2NP25XB |
More data for this Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM16297
(5-Hexyl-2-phenoxy-phenol | 5-hexyl-2-phenoxylpheno...)Show InChI InChI=1S/C18H22O2/c1-2-3-4-6-9-15-12-13-18(17(19)14-15)20-16-10-7-5-8-11-16/h5,7-8,10-14,19H,2-4,6,9H2,1H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Stony Brook University
Curated by ChEMBL
| Assay Description Inhibition of 1 nM Mycobacterium tuberculosis H37RV InhA |
Bioorg Med Chem Lett 18: 3029-33 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.038 BindingDB Entry DOI: 10.7270/Q2SB46KT |
More data for this Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50448857
(CHEMBL3125279)Show SMILES CCc1cc(C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2coc3ccccc23)C(N)=O)n(C)n1 |r| Show InChI InChI=1S/C21H23N5O4/c1-3-12-8-17(25(2)24-12)20(28)23-13-9-16(19(22)27)26(10-13)21(29)15-11-30-18-7-5-4-6-14(15)18/h4-8,11,13,16H,3,9-10H2,1-2H3,(H2,22,27)(H,23,28)/t13-,16+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis full length biotinylated InhA (270 amino acids) using DDCoA as substrate assessed as NADH oxidation by fluor... |
J Med Chem 57: 1276-88 (2014)
Article DOI: 10.1021/jm401326j BindingDB Entry DOI: 10.7270/Q2NP25XB |
More data for this Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
(Escherichia coli) | BDBM50481102
(CHEMBL567520)Show SMILES CN(Cc1oc2ccccc2c1C)C(=O)\C=C\c1cnc2NCCCNc2c1 Show InChI InChI=1S/C22H24N4O2/c1-15-17-6-3-4-7-19(17)28-20(15)14-26(2)21(27)9-8-16-12-18-22(25-13-16)24-11-5-10-23-18/h3-4,6-9,12-13,23H,5,10-11,14H2,1-2H3,(H,24,25)/b9-8+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Affinium Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli FabI |
Bioorg Med Chem Lett 19: 5359-62 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.094 BindingDB Entry DOI: 10.7270/Q2571FT3 |
More data for this Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
(Escherichia coli) | BDBM50481097
(CHEMBL565647)Show SMILES CN(Cc1oc2ccccc2c1C)C(=O)\C=C\c1cnc2NCCNCc2c1 Show InChI InChI=1S/C22H24N4O2/c1-15-18-5-3-4-6-19(18)28-20(15)14-26(2)21(27)8-7-16-11-17-13-23-9-10-24-22(17)25-12-16/h3-8,11-12,23H,9-10,13-14H2,1-2H3,(H,24,25)/b8-7+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Affinium Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli FabI |
Bioorg Med Chem Lett 19: 5359-62 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.094 BindingDB Entry DOI: 10.7270/Q2571FT3 |
More data for this Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50448853
(CHEMBL3125283)Show SMILES CCc1cc(C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2coc3ccccc23)C(=O)NCCOC)n(C)n1 |r| Show InChI InChI=1S/C24H29N5O5/c1-4-15-11-19(28(2)27-15)23(31)26-16-12-20(22(30)25-9-10-33-3)29(13-16)24(32)18-14-34-21-8-6-5-7-17(18)21/h5-8,11,14,16,20H,4,9-10,12-13H2,1-3H3,(H,25,30)(H,26,31)/t16-,20+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis full length biotinylated InhA (270 amino acids) using DDCoA as substrate assessed as NADH oxidation by fluor... |
J Med Chem 57: 1276-88 (2014)
Article DOI: 10.1021/jm401326j BindingDB Entry DOI: 10.7270/Q2NP25XB |
More data for this Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
(Escherichia coli) | BDBM50481105
(CHEMBL567313)Show SMILES CN(Cc1sc2ccccc2c1C)C(=O)\C=C\c1cnc2NCCCNc2c1 Show InChI InChI=1S/C22H24N4OS/c1-15-17-6-3-4-7-19(17)28-20(15)14-26(2)21(27)9-8-16-12-18-22(25-13-16)24-11-5-10-23-18/h3-4,6-9,12-13,23H,5,10-11,14H2,1-2H3,(H,24,25)/b9-8+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Affinium Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli FabI |
Bioorg Med Chem Lett 19: 5359-62 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.094 BindingDB Entry DOI: 10.7270/Q2571FT3 |
More data for this Ligand-Target Pair | |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50448876
(CHEMBL3125265)Show SMILES COC(=O)CNC(=O)[C@@H]1C[C@H](CN1C(=O)c1coc2ccccc12)NC(=O)c1cc(nn1C)C1CC1 |r| Show InChI InChI=1S/C25H27N5O6/c1-29-19(10-18(28-29)14-7-8-14)24(33)27-15-9-20(23(32)26-11-22(31)35-2)30(12-15)25(34)17-13-36-21-6-4-3-5-16(17)21/h3-6,10,13-15,20H,7-9,11-12H2,1-2H3,(H,26,32)(H,27,33)/t15-,20+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of Mycobacterium tuberculosis full length biotinylated InhA (270 amino acids) using DDCoA as substrate assessed as NADH oxidation by fluor... |
J Med Chem 57: 1276-88 (2014)
Article DOI: 10.1021/jm401326j BindingDB Entry DOI: 10.7270/Q2NP25XB |
More data for this Ligand-Target Pair | |