Found 9 hits of Enzyme Inhibition Constant Data 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 |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50124408
(CHEMBL2165266)Show SMILES Cc1cc(C)cc(c1)N1C(=O)NC(=O)\C(=C/c2ccc(o2)-c2ccccc2)C1=O Show InChI InChI=1S/C23H18N2O4/c1-14-10-15(2)12-17(11-14)25-22(27)19(21(26)24-23(25)28)13-18-8-9-20(29-18)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,24,26,28)/b19-13+ | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Alabama
Curated by ChEMBL
| Assay Description Inhibition of fatty acid synthase KE domain (unknown origin) |
Bioorg Med Chem Lett 25: 4363-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.087 BindingDB Entry DOI: 10.7270/Q2057HR2 |
More data for this Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50124410
(CHEMBL3623457)Show SMILES Fc1cc(ccc1-n1c(C[C@@H]2CCN(C2)C(=O)C2CC2)n[nH]c1=O)-c1ccc2ccncc2c1 |r,wU:10.10,(-7.75,.95,;-6.68,1.56,;-5.35,.78,;-4.01,1.54,;-4,3.08,;-5.33,3.86,;-6.67,3.1,;-8,3.88,;-8.13,5.4,;-6.97,6.42,;-7.27,7.93,;-6.22,9.04,;-6.97,10.38,;-8.48,10.08,;-8.66,8.55,;-9.62,11.12,;-9.35,12.32,;-11.09,10.66,;-12.5,11.02,;-12.04,9.55,;-9.63,5.73,;-10.41,4.41,;-9.39,3.25,;-9.65,2.05,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;2.66,.77,;1.33,1.54,;,.77,;-1.33,1.54,)| Show InChI InChI=1S/C26H24FN5O2/c27-22-13-20(19-4-1-17-7-9-28-14-21(17)12-19)5-6-23(22)32-24(29-30-26(32)34)11-16-8-10-31(15-16)25(33)18-2-3-18/h1,4-7,9,12-14,16,18H,2-3,8,10-11,15H2,(H,30,34)/t16-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia 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 |
University of South Alabama
Curated by ChEMBL
| Assay Description Inhibition of fatty acid synthase (unknown origin) |
Bioorg Med Chem Lett 25: 4363-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.087 BindingDB Entry DOI: 10.7270/Q2057HR2 |
More data for this Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50124413
(CHEMBL3623460)Show SMILES O=C1COC2(CCN(CC2)S(=O)(=O)c2ccc(cc2)-c2cccc3cnccc23)CN1C1CC1 Show InChI InChI=1S/C26H27N3O4S/c30-25-17-33-26(18-29(25)21-6-7-21)11-14-28(15-12-26)34(31,32)22-8-4-19(5-9-22)23-3-1-2-20-16-27-13-10-24(20)23/h1-5,8-10,13,16,21H,6-7,11-12,14-15,17-18H2 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia 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 |
University of South Alabama
Curated by ChEMBL
| Assay Description Inhibition of fatty acid synthase (unknown origin) |
Bioorg Med Chem Lett 25: 4363-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.087 BindingDB Entry DOI: 10.7270/Q2057HR2 |
More data for this Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50124411
(CHEMBL3623458)Show SMILES Cn1ncc2c1nc(-c1ccc(cc1)-c1ccc3[nH]ccc3c1)n(C[C@@H]1CCN(C1)C(=O)C1CC1)c2=O |r| Show InChI InChI=1S/C29H28N6O2/c1-33-27-24(15-31-33)29(37)35(17-18-11-13-34(16-18)28(36)21-6-7-21)26(32-27)20-4-2-19(3-5-20)22-8-9-25-23(14-22)10-12-30-25/h2-5,8-10,12,14-15,18,21,30H,6-7,11,13,16-17H2,1H3/t18-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Alabama
Curated by ChEMBL
| Assay Description Inhibition of fatty acid synthase (unknown origin) |
Bioorg Med Chem Lett 25: 4363-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.087 BindingDB Entry DOI: 10.7270/Q2057HR2 |
More data for this Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50124414
(CHEMBL3623461)Show SMILES O=C1COC2(CCN(CC2)S(=O)(=O)N2CCN(CC2)c2ccc3cc(ccc3c2)C#N)CN1C1CC1 Show InChI InChI=1S/C26H31N5O4S/c27-17-20-1-2-22-16-24(4-3-21(22)15-20)28-11-13-30(14-12-28)36(33,34)29-9-7-26(8-10-29)19-31(23-5-6-23)25(32)18-35-26/h1-4,15-16,23H,5-14,18-19H2 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Alabama
Curated by ChEMBL
| Assay Description Inhibition of fatty acid synthase (unknown origin) |
Bioorg Med Chem Lett 25: 4363-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.087 BindingDB Entry DOI: 10.7270/Q2057HR2 |
More data for this Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50124412
(CHEMBL3623459)Show SMILES O=C(C1CC1)N1CC[C@@H](Cn2cnnc2-c2ccc(cc2)-c2ccc3[nH]ncc3c2)C1 |r| Show InChI InChI=1S/C24H24N6O/c31-24(19-5-6-19)29-10-9-16(13-29)14-30-15-26-28-23(30)18-3-1-17(2-4-18)20-7-8-22-21(11-20)12-25-27-22/h1-4,7-8,11-12,15-16,19H,5-6,9-10,13-14H2,(H,25,27)/t16-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Alabama
Curated by ChEMBL
| Assay Description Inhibition of fatty acid synthase (unknown origin) |
Bioorg Med Chem Lett 25: 4363-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.087 BindingDB Entry DOI: 10.7270/Q2057HR2 |
More data for this Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50124409
(CHEMBL3623456)Show SMILES CN(C[C@@H]1CCN(C1)C(=O)C1CC1)C(=O)c1ccc(cc1F)-c1ccc2[nH]ccc2c1 |r| Show InChI InChI=1S/C25H26FN3O2/c1-28(14-16-9-11-29(15-16)24(30)17-2-3-17)25(31)21-6-4-19(13-22(21)26)18-5-7-23-20(12-18)8-10-27-23/h4-8,10,12-13,16-17,27H,2-3,9,11,14-15H2,1H3/t16-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Alabama
Curated by ChEMBL
| Assay Description Inhibition of fatty acid synthase (unknown origin) |
Bioorg Med Chem Lett 25: 4363-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.087 BindingDB Entry DOI: 10.7270/Q2057HR2 |
More data for this Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50124415
(CHEMBL3623462 | US10413545, Compound 65 | US971881...)Show SMILES CC1(C)N=C(N(C[C@@H]2CCN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1)-c1c[nH]c2ccccc12 |r,c:3| Show InChI InChI=1S/C28H30N4O2/c1-28(2)27(34)32(17-18-13-14-31(16-18)26(33)21-11-12-21)25(30-28)20-9-7-19(8-10-20)23-15-29-24-6-4-3-5-22(23)24/h3-10,15,18,21,29H,11-14,16-17H2,1-2H3/t18-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Alabama
Curated by ChEMBL
| Assay Description Inhibition of fatty acid synthase KR domain (unknown origin) |
Bioorg Med Chem Lett 25: 4363-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.087 BindingDB Entry DOI: 10.7270/Q2057HR2 |
More data for this Ligand-Target Pair | |
Fatty acid synthase
(Homo sapiens (Human)) | BDBM50124416
(CHEMBL3623463)Show SMILES Cc1ccc(cc1NC(=O)c1ccc(Cl)nc1)C(=O)N1CCC(CC1)c1ccc2nncn2c1 Show InChI InChI=1S/C25H23ClN6O2/c1-16-2-3-18(12-21(16)29-24(33)19-4-6-22(26)27-13-19)25(34)31-10-8-17(9-11-31)20-5-7-23-30-28-15-32(23)14-20/h2-7,12-15,17H,8-11H2,1H3,(H,29,33) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 93 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Alabama
Curated by ChEMBL
| Assay Description Inhibition of fatty acid synthase KR domain (unknown origin) |
Bioorg Med Chem Lett 25: 4363-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.087 BindingDB Entry DOI: 10.7270/Q2057HR2 |
More data for this Ligand-Target Pair | |