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PubMed code 26288680

Compile data set for download or QSAR
Found 10 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
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM50119585
PNG
(CHEMBL3617746)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1ccc(C2=NC(C)(C)C(=O)N2C[C@@H]2CCN(C2)C(=O)C2(O)CC2)c(F)c1
Show InChI InChI=1S/C30H32FN5O3/c1-29(2)27(37)36(17-19-10-13-35(16-19)28(38)30(39)11-12-30)26(33-29)24-9-8-22(14-25(24)31)20-4-6-21(7-5-20)23-15-32-34(3)18-23/h4-9,14-15,18-19,39H,10-13,16-17H2,1-3H3/t19-/m1/s1
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PubMed
n/an/a 30n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of fatty acid synthase (unknown origin) by scintillation proximity assay


ACS Med Chem Lett 6: 838-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00275
BindingDB Entry DOI: 10.7270/Q24B334G
More data for this
Ligand-Target Pair
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM50119580
PNG
(CHEMBL3617741)
Show SMILES CC1(C)N=C(N(C[C@@H]2CCN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1)-c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C28H30N4O2/c1-28(2)27(34)32(17-18-12-14-31(16-18)26(33)21-7-8-21)25(30-28)20-5-3-19(4-6-20)22-9-10-24-23(15-22)11-13-29-24/h3-6,9-11,13,15,18,21,29H,7-8,12,14,16-17H2,1-2H3/t18-/m1/s1
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PubMed
n/an/a 48n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of fatty acid synthase (unknown origin) by scintillation proximity assay


ACS Med Chem Lett 6: 838-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00275
BindingDB Entry DOI: 10.7270/Q24B334G
More data for this
Ligand-Target Pair
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM50119581
PNG
(CHEMBL3617742)
Show SMILES CC1(C)N=C(N(C[C@@H]2CCN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1)-c1ccc2cccnc2c1
Show InChI InChI=1S/C29H30N4O2/c1-29(2)28(35)33(18-19-13-15-32(17-19)27(34)23-10-11-23)26(31-29)22-8-5-20(6-9-22)24-12-7-21-4-3-14-30-25(21)16-24/h3-9,12,14,16,19,23H,10-11,13,15,17-18H2,1-2H3/t19-/m1/s1
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PubMed
n/an/a 56n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of fatty acid synthase keto-reductase domain (unknown origin)


ACS Med Chem Lett 6: 838-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00275
BindingDB Entry DOI: 10.7270/Q24B334G
More data for this
Ligand-Target Pair
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM50119581
PNG
(CHEMBL3617742)
Show SMILES CC1(C)N=C(N(C[C@@H]2CCN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1)-c1ccc2cccnc2c1
Show InChI InChI=1S/C29H30N4O2/c1-29(2)28(35)33(18-19-13-15-32(17-19)27(34)23-10-11-23)26(31-29)22-8-5-20(6-9-22)24-12-7-21-4-3-14-30-25(21)16-24/h3-9,12,14,16,19,23H,10-11,13,15,17-18H2,1-2H3/t19-/m1/s1
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PubMed
n/an/a 56n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of fatty acid synthase (unknown origin) by scintillation proximity assay


ACS Med Chem Lett 6: 838-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00275
BindingDB Entry DOI: 10.7270/Q24B334G
More data for this
Ligand-Target Pair
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM50119583
PNG
(CHEMBL3617744)
Show SMILES Cn1ncc2cc(ccc12)-c1ccc(C2=NC(C)(C)C(=O)N2C[C@@H]2CCN(C2)C(=O)C2CC2)c(F)c1
Show InChI InChI=1S/C28H30FN5O2/c1-28(2)27(36)34(16-17-10-11-33(15-17)26(35)18-4-5-18)25(31-28)22-8-6-20(13-23(22)29)19-7-9-24-21(12-19)14-30-32(24)3/h6-9,12-14,17-18H,4-5,10-11,15-16H2,1-3H3/t17-/m1/s1
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PubMed
n/an/a 93n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of fatty acid synthase (unknown origin) by scintillation proximity assay


ACS Med Chem Lett 6: 838-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00275
BindingDB Entry DOI: 10.7270/Q24B334G
More data for this
Ligand-Target Pair
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM50119580
PNG
(CHEMBL3617741)
Show SMILES CC1(C)N=C(N(C[C@@H]2CCN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1)-c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C28H30N4O2/c1-28(2)27(34)32(17-18-12-14-31(16-18)26(33)21-7-8-21)25(30-28)20-5-3-19(4-6-20)22-9-10-24-23(15-22)11-13-29-24/h3-6,9-11,13,15,18,21,29H,7-8,12,14,16-17H2,1-2H3/t18-/m1/s1
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UniChem

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Article
PubMed
n/an/a 138n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of fatty acid synthase keto-reductase domain (unknown origin)


ACS Med Chem Lett 6: 838-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00275
BindingDB Entry DOI: 10.7270/Q24B334G
More data for this
Ligand-Target Pair
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM50119582
PNG
(CHEMBL3617743)
Show SMILES CC1(C)N=C(N(CC2CN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1)-c1ccc2cccc(F)c2c1
Show InChI InChI=1S/C29H28FN3O2/c1-29(2)28(35)33(17-18-15-32(16-18)27(34)22-11-12-22)26(31-29)21-9-6-19(7-10-21)23-13-8-20-4-3-5-25(30)24(20)14-23/h3-10,13-14,18,22H,11-12,15-17H2,1-2H3
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UniChem

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PubMed
n/an/a 178n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of fatty acid synthase (unknown origin) by scintillation proximity assay


ACS Med Chem Lett 6: 838-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00275
BindingDB Entry DOI: 10.7270/Q24B334G
More data for this
Ligand-Target Pair
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM50119583
PNG
(CHEMBL3617744)
Show SMILES Cn1ncc2cc(ccc12)-c1ccc(C2=NC(C)(C)C(=O)N2C[C@@H]2CCN(C2)C(=O)C2CC2)c(F)c1
Show InChI InChI=1S/C28H30FN5O2/c1-28(2)27(36)34(16-17-10-11-33(15-17)26(35)18-4-5-18)25(31-28)22-8-6-20(13-23(22)29)19-7-9-24-21(12-19)14-30-32(24)3/h6-9,12-14,17-18H,4-5,10-11,15-16H2,1-3H3/t17-/m1/s1
PDB
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KEGG

UniProtKB/SwissProt

B.MOAD
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GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 324n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of fatty acid synthase keto-reductase domain (unknown origin)


ACS Med Chem Lett 6: 838-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00275
BindingDB Entry DOI: 10.7270/Q24B334G
More data for this
Ligand-Target Pair
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM50119582
PNG
(CHEMBL3617743)
Show SMILES CC1(C)N=C(N(CC2CN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1)-c1ccc2cccc(F)c2c1
Show InChI InChI=1S/C29H28FN3O2/c1-29(2)28(35)33(17-18-15-32(16-18)27(34)22-11-12-22)26(31-29)21-9-6-19(7-10-21)23-13-8-20-4-3-5-25(30)24(20)14-23/h3-10,13-14,18,22H,11-12,15-17H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 347n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of fatty acid synthase keto-reductase domain (unknown origin)


ACS Med Chem Lett 6: 838-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00275
BindingDB Entry DOI: 10.7270/Q24B334G
More data for this
Ligand-Target Pair
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM50119584
PNG
(CHEMBL3617745)
Show SMILES CC1(C)N=C(N(C[C@@H]2CCN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C27H29N5O2/c1-27(2)26(34)32(16-17-13-14-31(15-17)25(33)20-11-12-20)24(30-27)19-9-7-18(8-10-19)23-28-21-5-3-4-6-22(21)29-23/h3-10,17,20H,11-16H2,1-2H3,(H,28,29)/t17-/m1/s1
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PubMed
n/an/a 5.89E+3n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of fatty acid synthase (unknown origin) by scintillation proximity assay


ACS Med Chem Lett 6: 838-9 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00275
BindingDB Entry DOI: 10.7270/Q24B334G
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%