Found 19 hits with Last Name = 'salo-ahen' and Initial = 'om' 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 |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM18796
((2S)-2-{[4-(2-{2-amino-4-oxo-1H,4H,7H-pyrrolo[2,3-...)Show SMILES Nc1nc2[nH]cc(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1 |r| Show InChI InChI=1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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Patents
Similars
| PDB Article PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Theoretical Studies gGmbH
Curated by ChEMBL
| Assay Description Inhibition of thymidin synthase |
J Med Chem 53: 6539-49 (2010)
Article DOI: 10.1021/jm901869w BindingDB Entry DOI: 10.7270/Q24J0F9S |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dihydrofolate reductase
(Homo sapiens (Human)) | BDBM18796
((2S)-2-{[4-(2-{2-amino-4-oxo-1H,4H,7H-pyrrolo[2,3-...)Show SMILES Nc1nc2[nH]cc(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1 |r| Show InChI InChI=1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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Patents
Similars
| Article PubMed
| 7.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Theoretical Studies gGmbH
Curated by ChEMBL
| Assay Description Inhibition of DHFR |
J Med Chem 53: 6539-49 (2010)
Article DOI: 10.1021/jm901869w BindingDB Entry DOI: 10.7270/Q24J0F9S |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50326711
(1,3-propanediphosphonic acid | CHEMBL1230579 | PRO...)Show InChI InChI=1S/C3H10O6P2/c4-10(5,6)2-1-3-11(7,8)9/h1-3H2,(H2,4,5,6)(H2,7,8,9) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
| MMDB PDB Article PubMed
| 260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Theoretical Studies gGmbH
Curated by ChEMBL
| Assay Description Inhibition of human Thymidylate synthase by uncompetitive binding |
J Med Chem 53: 6539-49 (2010)
Article DOI: 10.1021/jm901869w BindingDB Entry DOI: 10.7270/Q24J0F9S |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Trifunctional purine biosynthetic protein adenosine-3
(Homo sapiens (Human)) | BDBM18796
((2S)-2-{[4-(2-{2-amino-4-oxo-1H,4H,7H-pyrrolo[2,3-...)Show SMILES Nc1nc2[nH]cc(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1 |r| Show InChI InChI=1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
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MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Theoretical Studies gGmbH
Curated by ChEMBL
| Assay Description Inhibition of GARFT |
J Med Chem 53: 6539-49 (2010)
Article DOI: 10.1021/jm901869w BindingDB Entry DOI: 10.7270/Q24J0F9S |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50326711
(1,3-propanediphosphonic acid | CHEMBL1230579 | PRO...)Show InChI InChI=1S/C3H10O6P2/c4-10(5,6)2-1-3-11(7,8)9/h1-3H2,(H2,4,5,6)(H2,7,8,9) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
| MMDB PDB Article PubMed
| 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Theoretical Studies gGmbH
Curated by ChEMBL
| Assay Description Inhibition of human Thymidylate synthase by noncompetitive binding |
J Med Chem 53: 6539-49 (2010)
Article DOI: 10.1021/jm901869w BindingDB Entry DOI: 10.7270/Q24J0F9S |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50326712
(2(R)-[4(S)-carboxy-4-[4-[N-(2-hydroxymethyl-4-oxo-...)Show SMILES OCc1nc2cc3CCC(N(CC#C)c4ccc(cc4)C(=O)N[C@@H](CCC(=O)N[C@H](CCC(O)=O)C(O)=O)C(O)=O)c3cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C32H33N5O10/c1-2-13-37(25-10-5-18-14-24-21(15-20(18)25)30(43)36-26(16-38)33-24)19-6-3-17(4-7-19)29(42)35-23(32(46)47)8-11-27(39)34-22(31(44)45)9-12-28(40)41/h1,3-4,6-7,14-15,22-23,25,38H,5,8-13,16H2,(H,34,39)(H,35,42)(H,40,41)(H,44,45)(H,46,47)(H,33,36,43)/t22-,23+,25?/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Theoretical Studies gGmbH
Curated by ChEMBL
| Assay Description Inhibition of ERalpha expressed in human tumor cells |
J Med Chem 53: 6539-49 (2010)
Article DOI: 10.1021/jm901869w BindingDB Entry DOI: 10.7270/Q24J0F9S |
More data for this Ligand-Target Pair | |
Thymidylate synthase
(Homo sapiens (Human)) | BDBM50326712
(2(R)-[4(S)-carboxy-4-[4-[N-(2-hydroxymethyl-4-oxo-...)Show SMILES OCc1nc2cc3CCC(N(CC#C)c4ccc(cc4)C(=O)N[C@@H](CCC(=O)N[C@H](CCC(O)=O)C(O)=O)C(O)=O)c3cc2c(=O)[nH]1 |r| Show InChI InChI=1S/C32H33N5O10/c1-2-13-37(25-10-5-18-14-24-21(15-20(18)25)30(43)36-26(16-38)33-24)19-6-3-17(4-7-19)29(42)35-23(32(46)47)8-11-27(39)34-22(31(44)45)9-12-28(40)41/h1,3-4,6-7,14-15,22-23,25,38H,5,8-13,16H2,(H,34,39)(H,35,42)(H,40,41)(H,44,45)(H,46,47)(H,33,36,43)/t22-,23+,25?/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Theoretical Studies gGmbH
Curated by ChEMBL
| Assay Description Inhibition of thymidin synthase |
J Med Chem 53: 6539-49 (2010)
Article DOI: 10.1021/jm901869w BindingDB Entry DOI: 10.7270/Q24J0F9S |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Fatty-acid amide hydrolase 1 [30-579]
(Rattus norvegicus (rat)) | BDBM26739
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24) | PDB MMDB
UniProtKB/SwissProt
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CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kuopio
Curated by ChEMBL
| Assay Description Inhibition of Wistar rat brain FAAH |
J Med Chem 49: 4650-6 (2006)
Article DOI: 10.1021/jm060394q BindingDB Entry DOI: 10.7270/Q2Q52P8G |
More data for this Ligand-Target Pair | |
Fatty-acid amide hydrolase 1 [30-579]
(Rattus norvegicus (rat)) | BDBM50191457
(4-(thiazol-2-yl)phenyl butylcarbamate | CHEMBL3767...)Show InChI InChI=1S/C14H16N2O2S/c1-2-3-8-16-14(17)18-12-6-4-11(5-7-12)13-15-9-10-19-13/h4-7,9-10H,2-3,8H2,1H3,(H,16,17) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 520 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kuopio
Curated by ChEMBL
| Assay Description Inhibition of Wistar rat brain FAAH |
J Med Chem 49: 4650-6 (2006)
Article DOI: 10.1021/jm060394q BindingDB Entry DOI: 10.7270/Q2Q52P8G |
More data for this Ligand-Target Pair | |
Fatty-acid amide hydrolase 1 [30-579]
(Rattus norvegicus (rat)) | BDBM50191456
(1-(2-phenyl-1,3-thiazol-4-yl)ethanone [4-(4-methyl...)Show SMILES CC(N=Nc1nc(cs1)-c1ccc(C)cc1)c1csc(n1)-c1ccccc1 |w:3.3| Show InChI InChI=1S/C21H18N4S2/c1-14-8-10-16(11-9-14)19-13-27-21(23-19)25-24-15(2)18-12-26-20(22-18)17-6-4-3-5-7-17/h3-13,15H,1-2H3 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 690 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kuopio
Curated by ChEMBL
| Assay Description Inhibition of Wistar rat brain FAAH |
J Med Chem 49: 4650-6 (2006)
Article DOI: 10.1021/jm060394q BindingDB Entry DOI: 10.7270/Q2Q52P8G |
More data for this Ligand-Target Pair | |
Fatty-acid amide hydrolase 1 [30-579]
(Rattus norvegicus (rat)) | BDBM60419
(BDBM50295658 | NAM)Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCN1C(=O)C=CC1=O |c:23| Show InChI InChI=1S/C24H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-23(26)20-21-24(25)27/h6-7,9-10,12-13,15-16,20-21H,2-5,8,11,14,17-19,22H2,1H3/b7-6-,10-9-,13-12-,16-15- | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
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MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kuopio
Curated by ChEMBL
| Assay Description Inhibition of Wistar rat brain FAAH |
J Med Chem 49: 4650-6 (2006)
Article DOI: 10.1021/jm060394q BindingDB Entry DOI: 10.7270/Q2Q52P8G |
More data for this Ligand-Target Pair | |
Fatty-acid amide hydrolase 1 [30-579]
(Rattus norvegicus (rat)) | BDBM50191459
(4-[4-(benzyloxy)phenyl]-5-[(5-nitro-1,3-thiazol-2-...)Show SMILES [O-][N+](=O)c1cnc(Sc2n[n-]c(=[OH+])n2-c2ccc(OCc3ccccc3)cc2)s1 Show InChI InChI=1S/C18H13N5O4S2/c24-16-20-21-17(29-18-19-10-15(28-18)23(25)26)22(16)13-6-8-14(9-7-13)27-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,20,24) | PDB MMDB
UniProtKB/SwissProt
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kuopio
Curated by ChEMBL
| Assay Description Inhibition of Wistar rat brain FAAH |
J Med Chem 49: 4650-6 (2006)
Article DOI: 10.1021/jm060394q BindingDB Entry DOI: 10.7270/Q2Q52P8G |
More data for this Ligand-Target Pair | |
Fatty-acid amide hydrolase 1 [30-579]
(Rattus norvegicus (rat)) | BDBM50191462
(1-(3-methyl-1-benzothien-2-yl)ethanone O-(anilinoc...)Show InChI InChI=1S/C18H16N2O2S/c1-12-15-10-6-7-11-16(15)23-17(12)13(2)20-22-18(21)19-14-8-4-3-5-9-14/h3-11H,1-2H3,(H,19,21)/b20-13+ | PDB MMDB
UniProtKB/SwissProt
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CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kuopio
Curated by ChEMBL
| Assay Description Inhibition of Wistar rat brain FAAH |
J Med Chem 49: 4650-6 (2006)
Article DOI: 10.1021/jm060394q BindingDB Entry DOI: 10.7270/Q2Q52P8G |
More data for this Ligand-Target Pair | |
Fatty-acid amide hydrolase 1 [30-579]
(Rattus norvegicus (rat)) | BDBM50191461
(1-(4-fluorophenyl)-2-(1-(4-hydroxyphenyl)-1H-tetra...)Show InChI InChI=1S/C15H11FN4O2S/c16-11-3-1-10(2-4-11)14(22)9-23-15-17-18-19-20(15)12-5-7-13(21)8-6-12/h1-8,21H,9H2 | PDB MMDB
UniProtKB/SwissProt
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kuopio
Curated by ChEMBL
| Assay Description Inhibition of Wistar rat brain FAAH |
J Med Chem 49: 4650-6 (2006)
Article DOI: 10.1021/jm060394q BindingDB Entry DOI: 10.7270/Q2Q52P8G |
More data for this Ligand-Target Pair | |
Fatty-acid amide hydrolase 1 [30-579]
(Rattus norvegicus (rat)) | BDBM50191454
(1-(4-((4-(2,5-dimethyl-1-(thiophen-2-ylmethyl)-1H-...)Show SMILES CC(=O)c1ccc(OCC2CN(CCO2)C(=O)c2cc(C)n(Cc3cccs3)c2C)cc1F Show InChI InChI=1S/C25H27FN2O4S/c1-16-11-23(17(2)28(16)14-21-5-4-10-33-21)25(30)27-8-9-31-20(13-27)15-32-19-6-7-22(18(3)29)24(26)12-19/h4-7,10-12,20H,8-9,13-15H2,1-3H3 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kuopio
Curated by ChEMBL
| Assay Description Inhibition of Wistar rat brain FAAH |
J Med Chem 49: 4650-6 (2006)
Article DOI: 10.1021/jm060394q BindingDB Entry DOI: 10.7270/Q2Q52P8G |
More data for this Ligand-Target Pair | |
Fatty-acid amide hydrolase 1 [30-579]
(Rattus norvegicus (rat)) | BDBM50191455
(CHEMBL213901 | ethyl 2-(2-(3-(styrylthio)propanami...)Show InChI InChI=1S/C18H20N2O3S2/c1-2-23-17(22)12-15-13-25-18(19-15)20-16(21)9-11-24-10-8-14-6-4-3-5-7-14/h3-8,10,13H,2,9,11-12H2,1H3,(H,19,20,21)/b10-8+ | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kuopio
Curated by ChEMBL
| Assay Description Inhibition of Wistar rat brain FAAH |
J Med Chem 49: 4650-6 (2006)
Article DOI: 10.1021/jm060394q BindingDB Entry DOI: 10.7270/Q2Q52P8G |
More data for this Ligand-Target Pair | |
Monoglyceride lipase
(Rattus norvegicus (Rat)) | BDBM50191457
(4-(thiazol-2-yl)phenyl butylcarbamate | CHEMBL3767...)Show InChI InChI=1S/C14H16N2O2S/c1-2-3-8-16-14(17)18-12-6-4-11(5-7-12)13-15-9-10-19-13/h4-7,9-10H,2-3,8H2,1H3,(H,16,17) | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kuopio
Curated by ChEMBL
| Assay Description Inhibition of MGL-like activity in Wistar rat cerebellar membranes |
J Med Chem 49: 4650-6 (2006)
Article DOI: 10.1021/jm060394q BindingDB Entry DOI: 10.7270/Q2Q52P8G |
More data for this Ligand-Target Pair | |
Fatty-acid amide hydrolase 1 [30-579]
(Rattus norvegicus (rat)) | BDBM50191458
(4-[4-(benzyloxy)phenyl]-3-methyl-5-[(5-nitro-1,3-t...)Show SMILES Cc1nnc(Sc2ncc(s2)[N+]([O-])=O)n1-c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C19H15N5O3S2/c1-13-21-22-18(29-19-20-11-17(28-19)24(25)26)23(13)15-7-9-16(10-8-15)27-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3 | PDB MMDB
UniProtKB/SwissProt
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kuopio
Curated by ChEMBL
| Assay Description Inhibition of Wistar rat brain FAAH |
J Med Chem 49: 4650-6 (2006)
Article DOI: 10.1021/jm060394q BindingDB Entry DOI: 10.7270/Q2Q52P8G |
More data for this Ligand-Target Pair | |
Fatty-acid amide hydrolase 1 [30-579]
(Rattus norvegicus (rat)) | BDBM50191460
((2-((6-methylpyridin-3-yloxy)methyl)morpholino)(2-...)Show InChI InChI=1S/C21H24N2O3/c1-15-7-8-17(12-22-15)26-14-18-13-23(9-10-25-18)21(24)20-11-19(20)16-5-3-2-4-6-16/h2-8,12,18-20H,9-11,13-14H2,1H3 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kuopio
Curated by ChEMBL
| Assay Description Inhibition of Wistar rat brain FAAH |
J Med Chem 49: 4650-6 (2006)
Article DOI: 10.1021/jm060394q BindingDB Entry DOI: 10.7270/Q2Q52P8G |
More data for this Ligand-Target Pair | |