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PubMed code 18457948

Compile data set for download or QSAR
Found 27 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Enoyl-[acyl-carrier-protein] reductase [NADH]


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50373347
PNG
(CHEMBL264175 | PT15)
Show SMILES CCCCCCc1ccc(Oc2ccc(N)cc2)c(O)c1
Show InChI InChI=1S/C18H23NO2/c1-2-3-4-5-6-14-7-12-18(17(20)13-14)21-16-10-8-15(19)9-11-16/h7-13,20H,2-6,19H2,1H3
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 1n/an/an/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Inhibition of 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...)		BDBM50373348
PNG
(CHEMBL264434 | PT13)
Show SMILES CCCCCCc1ccc(Oc2ccccc2N)c(O)c1
Show InChI InChI=1S/C18H23NO2/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,2-5,8,19H2,1H3
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 1n/an/an/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Inhibition of 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...)		BDBM8726
PNG
(5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...)
Show SMILES Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl
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
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 200n/an/an/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Inhibition of 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		3D
3D Structure (crystal)
Enoyl-[acyl-carrier-protein] reductase [NADH]


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM16297
PNG
(5-Hexyl-2-phenoxy-phenol | 5-hexyl-2-phenoxylpheno...)
Show SMILES CCCCCCc1ccc(Oc2ccccc2)c(O)c1
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
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n/an/a 11n/an/an/an/an/an/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...)		BDBM50373350
PNG
(CHEMBL264416)
Show SMILES CCCCCCc1ccc(Oc2cccc(c2)[N+]([O-])=O)c(O)c1
Show InChI InChI=1S/C18H21NO4/c1-2-3-4-5-7-14-10-11-18(17(20)12-14)23-16-9-6-8-15(13-16)19(21)22/h6,8-13,20H,2-5,7H2,1H3
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n/an/a 48n/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Inhibition of 100 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...)		BDBM50373347
PNG
(CHEMBL264175 | PT15)
Show SMILES CCCCCCc1ccc(Oc2ccc(N)cc2)c(O)c1
Show InChI InChI=1S/C18H23NO2/c1-2-3-4-5-6-14-7-12-18(17(20)13-14)21-16-10-8-15(19)9-11-16/h7-13,20H,2-6,19H2,1H3
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n/an/a 55n/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Inhibition of 100 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...)		BDBM50373348
PNG
(CHEMBL264434 | PT13)
Show SMILES CCCCCCc1ccc(Oc2ccccc2N)c(O)c1
Show InChI InChI=1S/C18H23NO2/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,2-5,8,19H2,1H3
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n/an/a 62n/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Inhibition of 100 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...)		BDBM50373349
PNG
(CHEMBL264417 | PT12)
Show SMILES CCCCCCc1ccc(Oc2ccc(cc2)[N+]([O-])=O)c(O)c1
Show InChI InChI=1S/C18H21NO4/c1-2-3-4-5-6-14-7-12-18(17(20)13-14)23-16-10-8-15(9-11-16)19(21)22/h7-13,20H,2-6H2,1H3
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n/an/a 90n/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Inhibition of 100 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...)		BDBM50373340
PNG
(CHEMBL260399)
Show SMILES CCCCCCc1ccc(Oc2ccc(NC(=O)c3ccno3)cc2)c(O)c1
Show InChI InChI=1S/C22H24N2O4/c1-2-3-4-5-6-16-7-12-20(19(25)15-16)27-18-10-8-17(9-11-18)24-22(26)21-13-14-23-28-21/h7-15,25H,2-6H2,1H3,(H,24,26)
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n/an/a 130n/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Inhibition of 100 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...)		BDBM50373336
PNG
(CHEMBL259138)
Show SMILES CCCCCCc1ccc(Oc2ccncc2)c(O)c1
Show InChI InChI=1S/C17H21NO2/c1-2-3-4-5-6-14-7-8-17(16(19)13-14)20-15-9-11-18-12-10-15/h7-13,19H,2-6H2,1H3
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n/an/a 160n/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Inhibition of 100 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...)		BDBM50373355
PNG
(CHEMBL264415 | PT10)
Show SMILES CCCCCCc1ccc(Oc2ccccc2[N+]([O-])=O)c(O)c1
Show InChI InChI=1S/C18H21NO4/c1-2-3-4-5-8-14-11-12-18(16(20)13-14)23-17-10-7-6-9-15(17)19(21)22/h6-7,9-13,20H,2-5,8H2,1H3
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n/an/a 180n/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Inhibition of 100 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		3D
3D Structure (crystal)
Enoyl-[acyl-carrier-protein] reductase [NADH]


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50373337
PNG
(CHEMBL405655)
Show SMILES CCCCCCc1ccc(Oc2cccnc2)c(O)c1
Show InChI InChI=1S/C17H21NO2/c1-2-3-4-5-7-14-9-10-17(16(19)12-14)20-15-8-6-11-18-13-15/h6,8-13,19H,2-5,7H2,1H3
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n/an/a 236n/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Inhibition of 100 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...)		BDBM50373339
PNG
(CHEMBL261355)
Show SMILES CCCCCCc1ccc(Oc2ccc(CN3CCN(C)CC3)cc2)c(O)c1
Show InChI InChI=1S/C24H34N2O2/c1-3-4-5-6-7-20-10-13-24(23(27)18-20)28-22-11-8-21(9-12-22)19-26-16-14-25(2)15-17-26/h8-13,18,27H,3-7,14-17,19H2,1-2H3
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n/an/a 306n/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Inhibition of 100 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...)		BDBM50373343
PNG
(CHEMBL263646)
Show SMILES CCCCCCc1ccc(Oc2cccc(NC(=O)C(O)=O)c2)c(O)c1
Show InChI InChI=1S/C20H23NO5/c1-2-3-4-5-7-14-10-11-18(17(22)12-14)26-16-9-6-8-15(13-16)21-19(23)20(24)25/h6,8-13,22H,2-5,7H2,1H3,(H,21,23)(H,24,25)
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n/an/a 580n/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Inhibition of 100 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...)		BDBM50373334
PNG
(CHEMBL258932)
Show SMILES CCCCCCc1ccc(Oc2cnccn2)c(O)c1
Show InChI InChI=1S/C16H20N2O2/c1-2-3-4-5-6-13-7-8-15(14(19)11-13)20-16-12-17-9-10-18-16/h7-12,19H,2-6H2,1H3
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n/an/a 650n/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Inhibition of 100 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...)		BDBM50373354
PNG
(CHEMBL404984)
Show SMILES CCCCCCc1ccc(Oc2cccc(N)c2)c(O)c1
Show InChI InChI=1S/C18H23NO2/c1-2-3-4-5-7-14-10-11-18(17(20)12-14)21-16-9-6-8-15(19)13-16/h6,8-13,20H,2-5,7,19H2,1H3
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n/an/a 1.09E+3n/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Inhibition of 100 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...)		BDBM50373341
PNG
(CHEMBL405653)
Show SMILES CCCCCCc1ccc(Oc2cccc(NC(=O)c3ccno3)c2)c(O)c1
Show InChI InChI=1S/C22H24N2O4/c1-2-3-4-5-7-16-10-11-20(19(25)14-16)27-18-9-6-8-17(15-18)24-22(26)21-12-13-23-28-21/h6,8-15,25H,2-5,7H2,1H3,(H,24,26)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Inhibition of 100 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...)		BDBM50373345
PNG
(CHEMBL262360)
Show SMILES CCCCCCc1ccc(Oc2ccc(NC(C)=O)cc2)c(O)c1
Show InChI InChI=1S/C20H25NO3/c1-3-4-5-6-7-16-8-13-20(19(23)14-16)24-18-11-9-17(10-12-18)21-15(2)22/h8-14,23H,3-7H2,1-2H3,(H,21,22)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Inhibition of 100 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...)		BDBM50373351
PNG
(CHEMBL408149)
Show SMILES CCCCCCc1ccc(Oc2ccccc2CN2CCN(C)CC2)c(O)c1
Show InChI InChI=1S/C24H34N2O2/c1-3-4-5-6-9-20-12-13-24(22(27)18-20)28-23-11-8-7-10-21(23)19-26-16-14-25(2)15-17-26/h7-8,10-13,18,27H,3-6,9,14-17,19H2,1-2H3
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n/an/a 1.32E+3n/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Inhibition of 100 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...)		BDBM50373346
PNG
(CHEMBL264176)
Show SMILES CCCCCCc1ccc(Oc2ccccc2NC(C)=O)c(O)c1
Show InChI InChI=1S/C20H25NO3/c1-3-4-5-6-9-16-12-13-20(18(23)14-16)24-19-11-8-7-10-17(19)21-15(2)22/h7-8,10-14,23H,3-6,9H2,1-2H3,(H,21,22)
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n/an/a 1.55E+3n/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Inhibition of 100 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...)		BDBM50373352
PNG
(CHEMBL262343)
Show SMILES CCCCCCc1ccc(Oc2ccc(NC(=O)C(O)=O)cc2)c(O)c1
Show InChI InChI=1S/C20H23NO5/c1-2-3-4-5-6-14-7-12-18(17(22)13-14)26-16-10-8-15(9-11-16)21-19(23)20(24)25/h7-13,22H,2-6H2,1H3,(H,21,23)(H,24,25)
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n/an/a 1.93E+3n/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Inhibition of 100 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...)		BDBM50373344
PNG
(CHEMBL407324)
Show SMILES CCCCCCc1ccc(Oc2ccccc2NC(=O)C(O)=O)c(O)c1
Show InChI InChI=1S/C20H23NO5/c1-2-3-4-5-8-14-11-12-18(16(22)13-14)26-17-10-7-6-9-15(17)21-19(23)20(24)25/h6-7,9-13,22H,2-5,8H2,1H3,(H,21,23)(H,24,25)
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n/an/a 2.36E+3n/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Inhibition of 100 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...)		BDBM50373342
PNG
(CHEMBL428967)
Show SMILES CCCCCCc1ccc(Oc2ccccc2NC(=O)c2ccno2)c(O)c1
Show InChI InChI=1S/C22H24N2O4/c1-2-3-4-5-8-16-11-12-20(18(25)15-16)27-19-10-7-6-9-17(19)24-22(26)21-13-14-23-28-21/h6-7,9-15,25H,2-5,8H2,1H3,(H,24,26)
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n/an/a 3.22E+3n/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Inhibition of 100 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...)		BDBM50373353
PNG
(CHEMBL404983)
Show SMILES CCCCCCc1ccc(Oc2cccc(NC(C)=O)c2)c(O)c1
Show InChI InChI=1S/C20H25NO3/c1-3-4-5-6-8-16-11-12-20(19(23)13-16)24-18-10-7-9-17(14-18)21-15(2)22/h7,9-14,23H,3-6,8H2,1-2H3,(H,21,22)
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n/an/a 5.60E+3n/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Inhibition of 100 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...)		BDBM50373335
PNG
(CHEMBL258931)
Show SMILES CCCCCCc1ccc(Oc2ncccn2)c(O)c1
Show InChI InChI=1S/C16H20N2O2/c1-2-3-4-5-7-13-8-9-15(14(19)12-13)20-16-17-10-6-11-18-16/h6,8-12,19H,2-5,7H2,1H3
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n/an/a 8.20E+3n/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Inhibition of 100 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...)		BDBM50373333
PNG
(CHEMBL264679)
Show SMILES CCCCCCc1ccc(Oc2ccccn2)c(O)c1
Show InChI InChI=1S/C17H21NO2/c1-2-3-4-5-8-14-10-11-16(15(19)13-14)20-17-9-6-7-12-18-17/h6-7,9-13,19H,2-5,8H2,1H3
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n/an/a 1.15E+4n/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Inhibition of 100 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...)		BDBM50373338
PNG
(CHEMBL429332)
Show SMILES CCCCCCc1ccc(Oc2ncccn2)c(OC)c1
Show InChI InChI=1S/C17H22N2O2/c1-3-4-5-6-8-14-9-10-15(16(13-14)20-2)21-17-18-11-7-12-19-17/h7,9-13H,3-6,8H2,1-2H3
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n/an/a>1.00E+8n/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Inhibition of 100 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
* indicates data uncertainty>20%