Found 16 hits of kd 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]
(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 | n/a | 12 | n/a | n/a | n/a | n/a | n/a |
AstraZeneca India Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to Mycobacterium tuberculosis NADH-bound form of full length inhA (1 to 255) by SPR assay |
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...) | 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 | n/a | 12 | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description
Binding affinity to Mycobacterium tuberculosis InhA in presence of NADH |
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...) | 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 | n/a | 14 | n/a | n/a | n/a | n/a | n/a |
AstraZeneca India Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to Mycobacterium tuberculosis NADH-bound form full length inhA (1 to 255) by isothermal titration calorimetry assay |
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...) | BDBM50295337
(CHEMBL4163218)Show SMILES CNC(=O)CN(C1CCN(CC1)c1ccccn1)C(=O)Cc1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C24H28N6O2/c1-25-23(31)18-29(20-10-15-28(16-11-20)22-5-2-3-12-26-22)24(32)17-19-6-8-21(9-7-19)30-14-4-13-27-30/h2-9,12-14,20H,10-11,15-18H2,1H3,(H,25,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description
Binding affinity to Mycobacterium tuberculosis InhA in presence of NADH by surface plasmon resonance assay |
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...) | BDBM50295338
(CHEMBL4167466)Show SMILES CNC(=O)[C@@H]1C[C@@H](CN1C(=O)c1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc(Cn2cccn2)cc1)[C@@H](C)OC(C)(C)C |r| Show InChI InChI=1S/C32H40N6O5/c1-21(43-32(2,3)4)27(36-28(39)23-14-12-22(13-15-23)19-37-17-9-16-34-37)30(41)35-25-18-26(29(40)33-5)38(20-25)31(42)24-10-7-6-8-11-24/h6-17,21,25-27H,18-20H2,1-5H3,(H,33,40)(H,35,41)(H,36,39)/t21-,25+,26+,27+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description
Binding affinity to Mycobacterium tuberculosis InhA in presence of NADH by surface plasmon resonance assay |
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...) | BDBM50295335
(CHEMBL4176028)Show SMILES CNC(=O)CN(Cc1ccc(F)cc1)C(=O)[C@@H]1CC[C@@H](CC1)NC(=O)Cc1sc2ccccc2c1C |r,wD:19.23,16.16,(5.66,-5.72,;6.99,-4.95,;8.33,-5.71,;8.34,-7.26,;9.66,-4.94,;11,-5.71,;11.01,-7.25,;11.76,-8.58,;10.99,-9.9,;11.74,-11.23,;13.28,-11.24,;14.04,-12.58,;14.05,-9.91,;13.29,-8.59,;12.33,-4.93,;12.33,-3.39,;13.67,-5.7,;15,-4.92,;16.33,-5.7,;16.33,-7.24,;15,-8,;13.67,-7.24,;17.67,-8.01,;19,-7.24,;19.01,-5.7,;20.34,-8.02,;21.68,-7.25,;23.13,-7.77,;24.07,-6.54,;25.59,-6.41,;26.25,-5.02,;25.37,-3.76,;23.84,-3.89,;23.19,-5.28,;21.72,-5.71,;20.49,-4.77,)| Show InChI InChI=1S/C28H32FN3O3S/c1-18-23-5-3-4-6-24(23)36-25(18)15-26(33)31-22-13-9-20(10-14-22)28(35)32(17-27(34)30-2)16-19-7-11-21(29)12-8-19/h3-8,11-12,20,22H,9-10,13-17H2,1-2H3,(H,30,34)(H,31,33)/t20-,22+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 94 | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description
Binding affinity to Mycobacterium tuberculosis InhA in presence of NADH by surface plasmon resonance assay |
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 | |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50295336
(CHEMBL4163172)Show SMILES CNC(=O)c1cnc(NC2CCN(CC2)c2ccccn2)c(NCc2ccc(F)c(Oc3ccccc3)c2)c1 Show InChI InChI=1S/C30H31FN6O2/c1-32-30(38)22-18-26(34-19-21-10-11-25(31)27(17-21)39-24-7-3-2-4-8-24)29(35-20-22)36-23-12-15-37(16-13-23)28-9-5-6-14-33-28/h2-11,14,17-18,20,23,34H,12-13,15-16,19H2,1H3,(H,32,38)(H,35,36) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description
Binding affinity to Mycobacterium tuberculosis InhA in presence of NADH by surface plasmon resonance assay |
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...) | BDBM50295334
(CHEMBL4167661)Show SMILES CNC(=O)CN1CCN([C@@H](Cc2ccccc2)C1=O)C(=O)[C@@H]1CC[C@@H](CC1)NC(=O)Cc1sc2ccccc2c1C |r,wU:9.9,wD:24.29,21.22,(24.58,-52.49,;25.91,-53.27,;27.25,-52.5,;27.25,-50.96,;28.58,-53.27,;29.92,-52.5,;29.92,-50.96,;31.25,-50.19,;32.58,-50.96,;32.59,-52.5,;33.93,-53.27,;33.93,-54.81,;32.59,-55.57,;32.6,-57.11,;33.93,-57.88,;35.27,-57.1,;35.26,-55.56,;31.25,-53.27,;31.25,-54.81,;33.91,-50.19,;33.91,-48.65,;35.25,-50.95,;36.58,-50.18,;37.91,-50.95,;37.91,-52.49,;36.58,-53.26,;35.25,-52.49,;39.24,-53.27,;40.58,-52.5,;40.58,-50.96,;41.91,-53.27,;43.25,-52.5,;44.7,-53.02,;45.63,-51.79,;47.16,-51.67,;47.81,-50.28,;46.93,-49.02,;45.41,-49.15,;44.76,-50.53,;43.29,-50.96,;42.06,-50.03,)| Show InChI InChI=1S/C32H38N4O4S/c1-21-25-10-6-7-11-27(25)41-28(21)19-29(37)34-24-14-12-23(13-15-24)31(39)36-17-16-35(20-30(38)33-2)32(40)26(36)18-22-8-4-3-5-9-22/h3-11,23-24,26H,12-20H2,1-2H3,(H,33,38)(H,34,37)/t23-,24+,26-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description
Binding affinity to Mycobacterium tuberculosis InhA in presence of NADH by surface plasmon resonance assay |
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 | |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50295333
(CHEMBL3742313)Show InChI InChI=1S/C18H21NO2/c20-16-12-15(11-13-7-3-1-4-8-13)19-18(21)17(16)14-9-5-2-6-10-14/h2,5-6,9-10,12-13H,1,3-4,7-8,11H2,(H2,19,20,21) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | 560 | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description
Binding affinity to Mycobacterium tuberculosis InhA in presence of TCEP and NADH by isothermal titration calorimetry |
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...) | 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 | n/a | 9.30E+3 | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description
Binding affinity to Mycobacterium tuberculosis InhA in presence of NAD+ |
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...) | 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 | n/a | 9.30E+3 | n/a | n/a | n/a | n/a | n/a |
AstraZeneca India Pvt. Ltd.
Curated by ChEMBL
| Assay Description
Binding affinity to Mycobacterium tuberculosis NAD+-bound form of full length inhA (1 to 255) by isothermal titration calorimetry assay |
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...) | BDBM50295334
(CHEMBL4167661)Show SMILES CNC(=O)CN1CCN([C@@H](Cc2ccccc2)C1=O)C(=O)[C@@H]1CC[C@@H](CC1)NC(=O)Cc1sc2ccccc2c1C |r,wU:9.9,wD:24.29,21.22,(24.58,-52.49,;25.91,-53.27,;27.25,-52.5,;27.25,-50.96,;28.58,-53.27,;29.92,-52.5,;29.92,-50.96,;31.25,-50.19,;32.58,-50.96,;32.59,-52.5,;33.93,-53.27,;33.93,-54.81,;32.59,-55.57,;32.6,-57.11,;33.93,-57.88,;35.27,-57.1,;35.26,-55.56,;31.25,-53.27,;31.25,-54.81,;33.91,-50.19,;33.91,-48.65,;35.25,-50.95,;36.58,-50.18,;37.91,-50.95,;37.91,-52.49,;36.58,-53.26,;35.25,-52.49,;39.24,-53.27,;40.58,-52.5,;40.58,-50.96,;41.91,-53.27,;43.25,-52.5,;44.7,-53.02,;45.63,-51.79,;47.16,-51.67,;47.81,-50.28,;46.93,-49.02,;45.41,-49.15,;44.76,-50.53,;43.29,-50.96,;42.06,-50.03,)| Show InChI InChI=1S/C32H38N4O4S/c1-21-25-10-6-7-11-27(25)41-28(21)19-29(37)34-24-14-12-23(13-15-24)31(39)36-17-16-35(20-30(38)33-2)32(40)26(36)18-22-8-4-3-5-9-22/h3-11,23-24,26H,12-20H2,1-2H3,(H,33,38)(H,34,37)/t23-,24+,26-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.34E+4 | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description
Binding affinity to Mycobacterium tuberculosis InhA in presence of NAD+ by surface plasmon resonance assay |
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 | |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50295335
(CHEMBL4176028)Show SMILES CNC(=O)CN(Cc1ccc(F)cc1)C(=O)[C@@H]1CC[C@@H](CC1)NC(=O)Cc1sc2ccccc2c1C |r,wD:19.23,16.16,(5.66,-5.72,;6.99,-4.95,;8.33,-5.71,;8.34,-7.26,;9.66,-4.94,;11,-5.71,;11.01,-7.25,;11.76,-8.58,;10.99,-9.9,;11.74,-11.23,;13.28,-11.24,;14.04,-12.58,;14.05,-9.91,;13.29,-8.59,;12.33,-4.93,;12.33,-3.39,;13.67,-5.7,;15,-4.92,;16.33,-5.7,;16.33,-7.24,;15,-8,;13.67,-7.24,;17.67,-8.01,;19,-7.24,;19.01,-5.7,;20.34,-8.02,;21.68,-7.25,;23.13,-7.77,;24.07,-6.54,;25.59,-6.41,;26.25,-5.02,;25.37,-3.76,;23.84,-3.89,;23.19,-5.28,;21.72,-5.71,;20.49,-4.77,)| Show InChI InChI=1S/C28H32FN3O3S/c1-18-23-5-3-4-6-24(23)36-25(18)15-26(33)31-22-13-9-20(10-14-22)28(35)32(17-27(34)30-2)16-19-7-11-21(29)12-8-19/h3-8,11-12,20,22H,9-10,13-17H2,1-2H3,(H,30,34)(H,31,33)/t20-,22+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 4.67E+4 | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description
Binding affinity to Mycobacterium tuberculosis InhA in presence of NAD+ by surface plasmon resonance assay |
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 | |
Enoyl-[acyl-carrier-protein] reductase [NADH]
(Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50295338
(CHEMBL4167466)Show SMILES CNC(=O)[C@@H]1C[C@@H](CN1C(=O)c1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc(Cn2cccn2)cc1)[C@@H](C)OC(C)(C)C |r| Show InChI InChI=1S/C32H40N6O5/c1-21(43-32(2,3)4)27(36-28(39)23-14-12-22(13-15-23)19-37-17-9-16-34-37)30(41)35-25-18-26(29(40)33-5)38(20-25)31(42)24-10-7-6-8-11-24/h6-17,21,25-27H,18-20H2,1-5H3,(H,33,40)(H,35,41)(H,36,39)/t21-,25+,26+,27+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | 4.90E+4 | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description
Binding affinity to Mycobacterium tuberculosis InhA in presence of NAD+ by surface plasmon resonance assay |
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...) | BDBM50295336
(CHEMBL4163172)Show SMILES CNC(=O)c1cnc(NC2CCN(CC2)c2ccccn2)c(NCc2ccc(F)c(Oc3ccccc3)c2)c1 Show InChI InChI=1S/C30H31FN6O2/c1-32-30(38)22-18-26(34-19-21-10-11-25(31)27(17-21)39-24-7-3-2-4-8-24)29(35-20-22)36-23-12-15-37(16-13-23)28-9-5-6-14-33-28/h2-11,14,17-18,20,23,34H,12-13,15-16,19H2,1H3,(H,32,38)(H,35,36) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description
Binding affinity to Mycobacterium tuberculosis InhA in presence of NAD+ by surface plasmon resonance assay |
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...) | BDBM50295337
(CHEMBL4163218)Show SMILES CNC(=O)CN(C1CCN(CC1)c1ccccn1)C(=O)Cc1ccc(cc1)-n1cccn1 Show InChI InChI=1S/C24H28N6O2/c1-25-23(31)18-29(20-10-15-28(16-11-20)22-5-2-3-12-26-22)24(32)17-19-6-8-21(9-7-19)30-14-4-13-27-30/h2-9,12-14,20H,10-11,15-18H2,1H3,(H,25,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a |
CNRS
Curated by ChEMBL
| Assay Description
Binding affinity to Mycobacterium tuberculosis InhA in presence of NAD+ by surface plasmon resonance assay |
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) |
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