Found 38 hits with Last Name = 'muthusamy' and Initial = 'v' 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 |
|---|
DNA (cytosine-5)-methyltransferase 3B
(Homo sapiens (Human)) | BDBM50075103
(CHEBI:48202 | Nanafrocin)Show SMILES C[C@@H]1O[C@@H](CC(O)=O)CC2=C1C(=O)c1c(O)cccc1C2=O |c:9| Show InChI InChI=1S/C16H14O6/c1-7-13-10(5-8(22-7)6-12(18)19)15(20)9-3-2-4-11(17)14(9)16(13)21/h2-4,7-8,17H,5-6H2,1H3,(H,18,19)/t7-,8+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| Purchase
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Yale University
Curated by ChEMBL
| Assay Description
Inhibition of human DNMT3B using [3H]-SAM |
ACS Med Chem Lett 11: 971-976 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00011
BindingDB Entry DOI: 10.7270/Q2H998QH |
More data for this
Ligand-Target Pair | |
Metacaspase-2
(Trypanosoma brucei) | BDBM50313771
((S)-benzyl 1-(benzo[d]thiazol-2-yl)-5-guanidino-1-...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-c1nc2ccccc2s1 |r| Show InChI InChI=1S/C21H23N5O3S/c22-20(23)24-12-6-10-16(26-21(28)29-13-14-7-2-1-3-8-14)18(27)19-25-15-9-4-5-11-17(15)30-19/h1-5,7-9,11,16H,6,10,12-13H2,(H,26,28)(H4,22,23,24)/t16-/m0/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Antwerp
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma brucei MAC2 |
Bioorg Med Chem Lett 20: 2001-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.099
BindingDB Entry DOI: 10.7270/Q2BG2P5T |
More data for this
Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 3B
(Homo sapiens (Human)) | BDBM50075103
(CHEBI:48202 | Nanafrocin)Show SMILES C[C@@H]1O[C@@H](CC(O)=O)CC2=C1C(=O)c1c(O)cccc1C2=O |c:9| Show InChI InChI=1S/C16H14O6/c1-7-13-10(5-8(22-7)6-12(18)19)15(20)9-3-2-4-11(17)14(9)16(13)21/h2-4,7-8,17H,5-6H2,1H3,(H,18,19)/t7-,8+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 730 | n/a | n/a | n/a | n/a | n/a | n/a |
Yale University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DNMT3B expressed in baculovirus infected insect cells by DRONE assay |
ACS Med Chem Lett 11: 971-976 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00011
BindingDB Entry DOI: 10.7270/Q2H998QH |
More data for this
Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 3B
(Homo sapiens (Human)) | BDBM50389497
(CHEMBL1564869)Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)N1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C19H14N2O4/c22-17-13-6-1-2-7-14(13)18(23)21(17)16(19(24)25)9-11-10-20-15-8-4-3-5-12(11)15/h1-8,10,16,20H,9H2,(H,24,25)/t16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
Yale University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DNMT3B expressed in baculovirus infected insect cells using CpG site containing internally quenched hairpin oligonucl... |
ACS Med Chem Lett 11: 971-976 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00011
BindingDB Entry DOI: 10.7270/Q2H998QH |
More data for this
Ligand-Target Pair | |
Metacaspase-2
(Trypanosoma brucei) | BDBM50313778
(CHEMBL1082043 | benzyl 1-((S)-1-(benzo[d]thiazol-2...)Show SMILES [#6]-[#6](-[#6])-[#6](-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r| Show InChI InChI=1S/C26H32N6O4S/c1-16(2)21(32-26(35)36-15-17-9-4-3-5-10-17)23(34)30-19(12-8-14-29-25(27)28)22(33)24-31-18-11-6-7-13-20(18)37-24/h3-7,9-11,13,16,19,21H,8,12,14-15H2,1-2H3,(H,30,34)(H,32,35)(H4,27,28,29)/t19-,21?/m0/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Antwerp
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma brucei MAC2 |
Bioorg Med Chem Lett 20: 2001-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.099
BindingDB Entry DOI: 10.7270/Q2BG2P5T |
More data for this
Ligand-Target Pair | |
Metacaspase-2
(Trypanosoma brucei) | BDBM50313777
(CHEMBL1082042 | benzyl 1-((S)-1-(benzo[d]thiazol-2...)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6](-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r| Show InChI InChI=1S/C27H34N6O4S/c1-17(2)15-21(33-27(36)37-16-18-9-4-3-5-10-18)24(35)31-20(12-8-14-30-26(28)29)23(34)25-32-19-11-6-7-13-22(19)38-25/h3-7,9-11,13,17,20-21H,8,12,14-16H2,1-2H3,(H,31,35)(H,33,36)(H4,28,29,30)/t20-,21?/m0/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Antwerp
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma brucei MAC2 |
Bioorg Med Chem Lett 20: 2001-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.099
BindingDB Entry DOI: 10.7270/Q2BG2P5T |
More data for this
Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 3B
(Homo sapiens (Human)) | BDBM50075103
(CHEBI:48202 | Nanafrocin)Show SMILES C[C@@H]1O[C@@H](CC(O)=O)CC2=C1C(=O)c1c(O)cccc1C2=O |c:9| Show InChI InChI=1S/C16H14O6/c1-7-13-10(5-8(22-7)6-12(18)19)15(20)9-3-2-4-11(17)14(9)16(13)21/h2-4,7-8,17H,5-6H2,1H3,(H,18,19)/t7-,8+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Yale University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DNMT3B expressed in baculovirus infected insect cells using CpG site containing internally quenched hairpin oligonucl... |
ACS Med Chem Lett 11: 971-976 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00011
BindingDB Entry DOI: 10.7270/Q2H998QH |
More data for this
Ligand-Target Pair | |
Metacaspase-2
(Trypanosoma brucei) | BDBM14297
(US10676470, Compound 23 | US11332464, Compound 23 ...)Show SMILES NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C21H23N3O3S/c22-13-7-6-11-17(24-21(26)27-14-15-8-2-1-3-9-15)19(25)20-23-16-10-4-5-12-18(16)28-20/h1-5,8-10,12,17H,6-7,11,13-14,22H2,(H,24,26)/t17-/m0/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Antwerp
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma brucei MAC2 |
Bioorg Med Chem Lett 20: 2001-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.099
BindingDB Entry DOI: 10.7270/Q2BG2P5T |
More data for this
Ligand-Target Pair | |
Metacaspase-2
(Trypanosoma brucei) | BDBM50313779
((S)-benzyl 1-cyano-4-guanidinobutylcarbamate | CHE...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)C#N |r| Show InChI InChI=1S/C14H19N5O2/c15-9-12(7-4-8-18-13(16)17)19-14(20)21-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-8,10H2,(H,19,20)(H4,16,17,18)/t12-/m0/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Antwerp
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma brucei MAC2 |
Bioorg Med Chem Lett 20: 2001-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.099
BindingDB Entry DOI: 10.7270/Q2BG2P5T |
More data for this
Ligand-Target Pair | |
Metacaspase-2
(Trypanosoma brucei) | BDBM50313773
((S)-benzyl 5-guanidino-1-oxo-1-(thiazol-2-yl)penta...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-c1nccs1 |r| Show InChI InChI=1S/C17H21N5O3S/c18-16(19)21-8-4-7-13(14(23)15-20-9-10-26-15)22-17(24)25-11-12-5-2-1-3-6-12/h1-3,5-6,9-10,13H,4,7-8,11H2,(H,22,24)(H4,18,19,21)/t13-/m0/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Antwerp
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma brucei MAC2 |
Bioorg Med Chem Lett 20: 2001-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.099
BindingDB Entry DOI: 10.7270/Q2BG2P5T |
More data for this
Ligand-Target Pair | |
Metacaspase-2
(Trypanosoma brucei) | BDBM50313775
((S)-benzyl 6-guanidino-1-(phenylsulfonyl)hex-1-en-...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6]=[#6]S(=O)(=O)c1ccccc1 |r,w:20.21| Show InChI InChI=1S/C21H26N4O4S/c22-20(23)24-14-7-10-18(13-15-30(27,28)19-11-5-2-6-12-19)25-21(26)29-16-17-8-3-1-4-9-17/h1-6,8-9,11-13,15,18H,7,10,14,16H2,(H,25,26)(H4,22,23,24)/t18-/m0/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Antwerp
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma brucei MAC2 |
Bioorg Med Chem Lett 20: 2001-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.099
BindingDB Entry DOI: 10.7270/Q2BG2P5T |
More data for this
Ligand-Target Pair | |
Metacaspase-2
(Trypanosoma brucei) | BDBM50313776
((S)-benzyl 1-(benzo[d]thiazol-2-yl)-6-guanidino-1-...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-c1nc2ccccc2s1 |r| Show InChI InChI=1S/C22H25N5O3S/c23-21(24)25-13-7-6-11-17(27-22(29)30-14-15-8-2-1-3-9-15)19(28)20-26-16-10-4-5-12-18(16)31-20/h1-5,8-10,12,17H,6-7,11,13-14H2,(H,27,29)(H4,23,24,25)/t17-/m0/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| 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 Antwerp
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma brucei MAC2 |
Bioorg Med Chem Lett 20: 2001-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.099
BindingDB Entry DOI: 10.7270/Q2BG2P5T |
More data for this
Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 3B
(Homo sapiens (Human)) | BDBM50538703
(CHEMBL4645141)Show SMILES CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)CCc1cccc(c1)-c1nc2c(N)ncnc2[nH]1 Show InChI InChI=1S/C22H20N8O2S/c1-30(10-15-26-14-7-8-33-18(14)22(32)27-15)16(31)6-5-12-3-2-4-13(9-12)20-28-17-19(23)24-11-25-21(17)29-20/h2-4,7-9,11H,5-6,10H2,1H3,(H,26,27,32)(H3,23,24,25,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Yale University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DNMT3B expressed in baculovirus infected insect cells by DRONE assay |
ACS Med Chem Lett 11: 971-976 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00011
BindingDB Entry DOI: 10.7270/Q2H998QH |
More data for this
Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 3B
(Homo sapiens (Human)) | BDBM50538703
(CHEMBL4645141)Show SMILES CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)CCc1cccc(c1)-c1nc2c(N)ncnc2[nH]1 Show InChI InChI=1S/C22H20N8O2S/c1-30(10-15-26-14-7-8-33-18(14)22(32)27-15)16(31)6-5-12-3-2-4-13(9-12)20-28-17-19(23)24-11-25-21(17)29-20/h2-4,7-9,11H,5-6,10H2,1H3,(H,26,27,32)(H3,23,24,25,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| 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 |
Yale University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DNMT3B expressed in baculovirus infected insect cells using CpG site containing internally quenched hairpin oligonucl... |
ACS Med Chem Lett 11: 971-976 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00011
BindingDB Entry DOI: 10.7270/Q2H998QH |
More data for this
Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 3B
(Homo sapiens (Human)) | BDBM50538702
(CHEMBL4634562)Show SMILES CN(Cc1ccc2cn[nH]c2c1)C(=O)CCc1cccc(c1)-c1nc2c(N)ncnc2[nH]1 Show InChI InChI=1S/C23H22N8O/c1-31(12-15-5-7-17-11-27-30-18(17)10-15)19(32)8-6-14-3-2-4-16(9-14)22-28-20-21(24)25-13-26-23(20)29-22/h2-5,7,9-11,13H,6,8,12H2,1H3,(H,27,30)(H3,24,25,26,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Yale University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DNMT3B expressed in baculovirus infected insect cells using CpG site containing internally quenched hairpin oligonucl... |
ACS Med Chem Lett 11: 971-976 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00011
BindingDB Entry DOI: 10.7270/Q2H998QH |
More data for this
Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 3B
(Homo sapiens (Human)) | BDBM50538701
(CHEMBL4647360)Show SMILES CN(Cc1cccnc1)C(=O)CCc1cccc(c1)-c1nc2c(N)ncnc2[nH]1 Show InChI InChI=1S/C21H21N7O/c1-28(12-15-5-3-9-23-11-15)17(29)8-7-14-4-2-6-16(10-14)20-26-18-19(22)24-13-25-21(18)27-20/h2-6,9-11,13H,7-8,12H2,1H3,(H3,22,24,25,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Yale University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DNMT3B expressed in baculovirus infected insect cells using CpG site containing internally quenched hairpin oligonucl... |
ACS Med Chem Lett 11: 971-976 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00011
BindingDB Entry DOI: 10.7270/Q2H998QH |
More data for this
Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 3B
(Homo sapiens (Human)) | BDBM50538691
(CHEMBL4640870)Show SMILES O=C(CSc1ncnc2sccc12)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 Show InChI InChI=1S/C19H18N6O2S3/c26-15-9-13(22-19-25(15)6-8-29-19)10-23-2-4-24(5-3-23)16(27)11-30-18-14-1-7-28-17(14)20-12-21-18/h1,6-9,12H,2-5,10-11H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.35E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Yale University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DNMT3B expressed in baculovirus infected insect cells using CpG site containing internally quenched hairpin oligonucl... |
ACS Med Chem Lett 11: 971-976 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00011
BindingDB Entry DOI: 10.7270/Q2H998QH |
More data for this
Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 3B
(Homo sapiens (Human)) | BDBM50538695
(CHEMBL4642475)Show SMILES CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCc1nc(no1)-c1ccncc1 Show InChI InChI=1S/C20H18N6O3/c1-26(12-16-22-15-5-3-2-4-14(15)20(28)23-16)18(27)7-6-17-24-19(25-29-17)13-8-10-21-11-9-13/h2-5,8-11H,6-7,12H2,1H3,(H,22,23,28) | PDB
MMDB
Reactome pathway
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UniChem
| Article
PubMed
| n/a | n/a | 2.24E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Yale University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DNMT3B expressed in baculovirus infected insect cells using CpG site containing internally quenched hairpin oligonucl... |
ACS Med Chem Lett 11: 971-976 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00011
BindingDB Entry DOI: 10.7270/Q2H998QH |
More data for this
Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 1
(Homo sapiens (Human)) | BDBM50538691
(CHEMBL4640870)Show SMILES O=C(CSc1ncnc2sccc12)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 Show InChI InChI=1S/C19H18N6O2S3/c26-15-9-13(22-19-25(15)6-8-29-19)10-23-2-4-24(5-3-23)16(27)11-30-18-14-1-7-28-17(14)20-12-21-18/h1,6-9,12H,2-5,10-11H2 | PDB
UniProtKB/SwissProt
antibodypedia
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UniChem
| Article
PubMed
| n/a | n/a | 2.72E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Yale University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DNMT1 expressed in baculovirus infected insect cells using CpG site containing internally quenched hairpin oligonucle... |
ACS Med Chem Lett 11: 971-976 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00011
BindingDB Entry DOI: 10.7270/Q2H998QH |
More data for this
Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 3B
(Homo sapiens (Human)) | BDBM50538700
(CHEMBL4647309)Show SMILES CN(Cc1nc2ccccc2[nH]1)C(=O)CCc1cccc(c1)-c1nc2c(N)ncnc2[nH]1 Show InChI InChI=1S/C23H22N8O/c1-31(12-18-27-16-7-2-3-8-17(16)28-18)19(32)10-9-14-5-4-6-15(11-14)22-29-20-21(24)25-13-26-23(20)30-22/h2-8,11,13H,9-10,12H2,1H3,(H,27,28)(H3,24,25,26,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Yale University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DNMT3B expressed in baculovirus infected insect cells using CpG site containing internally quenched hairpin oligonucl... |
ACS Med Chem Lett 11: 971-976 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00011
BindingDB Entry DOI: 10.7270/Q2H998QH |
More data for this
Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 1
(Homo sapiens (Human)) | BDBM50538692
(CHEMBL4649221)Show SMILES Cc1ccc2C(=O)C(CN(CC(=O)Nc3ccc4OCOc4c3)c2n1)c1nc(no1)-c1cccc(F)c1 Show InChI InChI=1S/C26H20FN5O5/c1-14-5-7-18-23(34)19(26-30-24(31-37-26)15-3-2-4-16(27)9-15)11-32(25(18)28-14)12-22(33)29-17-6-8-20-21(10-17)36-13-35-20/h2-10,19H,11-13H2,1H3,(H,29,33) | PDB
UniProtKB/SwissProt
antibodypedia
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| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 2.85E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Yale University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DNMT1 expressed in baculovirus infected insect cells using CpG site containing internally quenched hairpin oligonucle... |
ACS Med Chem Lett 11: 971-976 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00011
BindingDB Entry DOI: 10.7270/Q2H998QH |
More data for this
Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 3B
(Homo sapiens (Human)) | BDBM50538696
(CHEMBL4642377)Show SMILES C[C@@H](NC(=O)c1cccc(CN2CCCC2=O)c1)c1ccc(cc1)-n1ccnc1 |r| Show InChI InChI=1S/C23H24N4O2/c1-17(19-7-9-21(10-8-19)27-13-11-24-16-27)25-23(29)20-5-2-4-18(14-20)15-26-12-3-6-22(26)28/h2,4-5,7-11,13-14,16-17H,3,6,12,15H2,1H3,(H,25,29)/t17-/m1/s1 | PDB
MMDB
Reactome pathway
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B.MOAD
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PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.72E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Yale University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DNMT3B expressed in baculovirus infected insect cells using CpG site containing internally quenched hairpin oligonucl... |
ACS Med Chem Lett 11: 971-976 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00011
BindingDB Entry DOI: 10.7270/Q2H998QH |
More data for this
Ligand-Target Pair | |
Metacaspase-2
(Trypanosoma brucei) | BDBM50313774
((S)-benzyl 5-guanidino-1-(1-methyl-1H-benzo[d]imid...)Show SMILES [#6]-n1c(nc2ccccc12)-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1 |r| Show InChI InChI=1S/C22H26N6O3/c1-28-18-12-6-5-10-16(18)26-20(28)19(29)17(11-7-13-25-21(23)24)27-22(30)31-14-15-8-3-2-4-9-15/h2-6,8-10,12,17H,7,11,13-14H2,1H3,(H,27,30)(H4,23,24,25)/t17-/m0/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.84E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Antwerp
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma brucei MAC2 |
Bioorg Med Chem Lett 20: 2001-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.099
BindingDB Entry DOI: 10.7270/Q2BG2P5T |
More data for this
Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 3B
(Homo sapiens (Human)) | BDBM50538699
(CHEMBL4637965)Show SMILES CN(Cc1ccc2cc[nH]c2c1)C(=O)CCc1cccc(c1)-c1nc2c(N)ncnc2[nH]1 Show InChI InChI=1S/C24H23N7O/c1-31(13-16-5-7-17-9-10-26-19(17)12-16)20(32)8-6-15-3-2-4-18(11-15)23-29-21-22(25)27-14-28-24(21)30-23/h2-5,7,9-12,14,26H,6,8,13H2,1H3,(H3,25,27,28,29,30) | PDB
MMDB
Reactome pathway
KEGG
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B.MOAD
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Yale University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DNMT3B expressed in baculovirus infected insect cells using CpG site containing internally quenched hairpin oligonucl... |
ACS Med Chem Lett 11: 971-976 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00011
BindingDB Entry DOI: 10.7270/Q2H998QH |
More data for this
Ligand-Target Pair | |
Metacaspase-2
(Trypanosoma brucei) | BDBM50313772
((S)-benzyl 5-guanidino-1-oxo-1-(pyridin-2-yl)penta...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-c1ccccn1 |r| Show InChI InChI=1S/C19H23N5O3/c20-18(21)23-12-6-10-16(17(25)15-9-4-5-11-22-15)24-19(26)27-13-14-7-2-1-3-8-14/h1-5,7-9,11,16H,6,10,12-13H2,(H,24,26)(H4,20,21,23)/t16-/m0/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Antwerp
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma brucei MAC2 |
Bioorg Med Chem Lett 20: 2001-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.099
BindingDB Entry DOI: 10.7270/Q2BG2P5T |
More data for this
Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 3B
(Homo sapiens (Human)) | BDBM50538694
(CHEMBL4647111)Show SMILES Cn1c(SCC(=O)Nc2ccc(Cl)c(c2)C(O)=O)nnc1-c1ccncc1 Show InChI InChI=1S/C17H14ClN5O3S/c1-23-15(10-4-6-19-7-5-10)21-22-17(23)27-9-14(24)20-11-2-3-13(18)12(8-11)16(25)26/h2-8H,9H2,1H3,(H,20,24)(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
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B.MOAD
antibodypedia
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PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.68E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Yale University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DNMT3B expressed in baculovirus infected insect cells using CpG site containing internally quenched hairpin oligonucl... |
ACS Med Chem Lett 11: 971-976 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00011
BindingDB Entry DOI: 10.7270/Q2H998QH |
More data for this
Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 3B
(Homo sapiens (Human)) | BDBM50538697
(CHEMBL4641323)Show SMILES Cc1nccc(n1)-c1cccc(NS(=O)(=O)c2cc(cc(C)c2C)C(O)=O)c1 Show InChI InChI=1S/C20H19N3O4S/c1-12-9-16(20(24)25)11-19(13(12)2)28(26,27)23-17-6-4-5-15(10-17)18-7-8-21-14(3)22-18/h4-11,23H,1-3H3,(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
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PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.04E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Yale University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DNMT3B expressed in baculovirus infected insect cells using CpG site containing internally quenched hairpin oligonucl... |
ACS Med Chem Lett 11: 971-976 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00011
BindingDB Entry DOI: 10.7270/Q2H998QH |
More data for this
Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 3B
(Homo sapiens (Human)) | BDBM50538693
(CHEMBL4632355)Show SMILES Cc1nccc(n1)-c1cccc(NS(=O)(=O)c2cc(ccc2C)C(O)=O)c1 Show InChI InChI=1S/C19H17N3O4S/c1-12-6-7-15(19(23)24)11-18(12)27(25,26)22-16-5-3-4-14(10-16)17-8-9-20-13(2)21-17/h3-11,22H,1-2H3,(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.23E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Yale University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DNMT3B expressed in baculovirus infected insect cells using CpG site containing internally quenched hairpin oligonucl... |
ACS Med Chem Lett 11: 971-976 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00011
BindingDB Entry DOI: 10.7270/Q2H998QH |
More data for this
Ligand-Target Pair | |
DNA (cytosine-5)-methyltransferase 3B
(Homo sapiens (Human)) | BDBM50538698
(CHEMBL4644275)Show InChI InChI=1S/C16H15F2N3O2/c17-13-2-1-3-14(18)12(13)10-16(23)20-9-6-15(22)21-11-4-7-19-8-5-11/h1-5,7-8H,6,9-10H2,(H,20,23)(H,19,21,22) | PDB
MMDB
Reactome pathway
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PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Yale University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DNMT3B expressed in baculovirus infected insect cells using CpG site containing internally quenched hairpin oligonucl... |
ACS Med Chem Lett 11: 971-976 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00011
BindingDB Entry DOI: 10.7270/Q2H998QH |
More data for this
Ligand-Target Pair | |
Metacaspase-2
(Trypanosoma brucei) | BDBM50313782
(CHEMBL1089377 | benzyl cyanomethyl(piperidin-4-yl)...)Show InChI InChI=1S/C15H19N3O2/c16-8-11-18(14-6-9-17-10-7-14)15(19)20-12-13-4-2-1-3-5-13/h1-5,14,17H,6-7,9-12H2 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Antwerp
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma brucei MAC2 |
Bioorg Med Chem Lett 20: 2001-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.099
BindingDB Entry DOI: 10.7270/Q2BG2P5T |
More data for this
Ligand-Target Pair | |
Metacaspase-2
(Trypanosoma brucei) | BDBM50313781
((S)-benzyl 1-cyano-2-(4-guanidinophenyl)ethylcarba...)Show SMILES [#7]\[#6](-[#7])=[#7]\c1ccc(-[#6]-[#6@H](-[#7]-[#6](=O)-[#8]-[#6]-c2ccccc2)C#N)cc1 |r| Show InChI InChI=1S/C18H19N5O2/c19-11-16(10-13-6-8-15(9-7-13)22-17(20)21)23-18(24)25-12-14-4-2-1-3-5-14/h1-9,16H,10,12H2,(H,23,24)(H4,20,21,22)/t16-/m0/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Antwerp
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma brucei MAC2 |
Bioorg Med Chem Lett 20: 2001-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.099
BindingDB Entry DOI: 10.7270/Q2BG2P5T |
More data for this
Ligand-Target Pair | |
Metacaspase-2
(Trypanosoma brucei) | BDBM50313780
((S)-benzyl 2-(4-aminophenyl)-1-cyanoethylcarbamate...)Show InChI InChI=1S/C17H17N3O2/c18-11-16(10-13-6-8-15(19)9-7-13)20-17(21)22-12-14-4-2-1-3-5-14/h1-9,16H,10,12,19H2,(H,20,21)/t16-/m0/s1 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Antwerp
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma brucei MAC2 |
Bioorg Med Chem Lett 20: 2001-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.099
BindingDB Entry DOI: 10.7270/Q2BG2P5T |
More data for this
Ligand-Target Pair | |
Metacaspase-2
(Trypanosoma brucei) | BDBM50313770
(CHEMBL1081308 | benzyl 4-(4-(bis(4-fluorophenyl)me...)Show SMILES Fc1ccc(cc1)C(N1CCN(CCCCN(CC#N)C(=O)OCc2ccccc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C31H34F2N4O2/c32-28-12-8-26(9-13-28)30(27-10-14-29(33)15-11-27)36-22-20-35(21-23-36)17-4-5-18-37(19-16-34)31(38)39-24-25-6-2-1-3-7-25/h1-3,6-15,30H,4-5,17-24H2 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Antwerp
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma brucei MAC2 |
Bioorg Med Chem Lett 20: 2001-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.099
BindingDB Entry DOI: 10.7270/Q2BG2P5T |
More data for this
Ligand-Target Pair | |
Metacaspase-2
(Trypanosoma brucei) | BDBM50313769
(CHEMBL1094051 | benzyl cyanomethyl(4-(4-(4-fluorop...)Show SMILES Fc1ccc(cc1)N1CCN(CCCCN(CC#N)C(=O)OCc2ccccc2)CC1 Show InChI InChI=1S/C24H29FN4O2/c25-22-8-10-23(11-9-22)28-18-16-27(17-19-28)13-4-5-14-29(15-12-26)24(30)31-20-21-6-2-1-3-7-21/h1-3,6-11H,4-5,13-20H2 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Antwerp
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma brucei MAC2 |
Bioorg Med Chem Lett 20: 2001-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.099
BindingDB Entry DOI: 10.7270/Q2BG2P5T |
More data for this
Ligand-Target Pair | |
Metacaspase-2
(Trypanosoma brucei) | BDBM50313768
(CHEMBL1091473 | benzyl cyanomethyl(4-(piperidin-1-...)Show InChI InChI=1S/C19H27N3O2/c20-11-16-22(15-8-7-14-21-12-5-2-6-13-21)19(23)24-17-18-9-3-1-4-10-18/h1,3-4,9-10H,2,5-8,12-17H2 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Antwerp
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma brucei MAC2 |
Bioorg Med Chem Lett 20: 2001-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.099
BindingDB Entry DOI: 10.7270/Q2BG2P5T |
More data for this
Ligand-Target Pair | |
Metacaspase-2
(Trypanosoma brucei) | BDBM50313767
(CHEMBL1091472 | benzyl 4-(1H-imidazol-1-yl)butyl(c...)Show InChI InChI=1S/C17H20N4O2/c18-8-12-21(11-5-4-10-20-13-9-19-15-20)17(22)23-14-16-6-2-1-3-7-16/h1-3,6-7,9,13,15H,4-5,10-12,14H2 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Antwerp
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma brucei MAC2 |
Bioorg Med Chem Lett 20: 2001-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.099
BindingDB Entry DOI: 10.7270/Q2BG2P5T |
More data for this
Ligand-Target Pair | |
Metacaspase-2
(Trypanosoma brucei) | BDBM50313765
(CHEMBL1091088 | benzyl cyanomethyl(4-hydroxybutyl)...)Show InChI InChI=1S/C14H18N2O3/c15-8-10-16(9-4-5-11-17)14(18)19-12-13-6-2-1-3-7-13/h1-3,6-7,17H,4-5,9-12H2 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Antwerp
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma brucei MAC2 |
Bioorg Med Chem Lett 20: 2001-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.099
BindingDB Entry DOI: 10.7270/Q2BG2P5T |
More data for this
Ligand-Target Pair | |
Metacaspase-2
(Trypanosoma brucei) | BDBM50313766
(CHEMBL1091471 | benzyl cyanomethyl(4-(pyrrolidin-1...)Show InChI InChI=1S/C18H25N3O2/c19-10-15-21(14-7-6-13-20-11-4-5-12-20)18(22)23-16-17-8-2-1-3-9-17/h1-3,8-9H,4-7,11-16H2 | PDB
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Antwerp
Curated by ChEMBL
| Assay Description
Inhibition of Trypanosoma brucei MAC2 |
Bioorg Med Chem Lett 20: 2001-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.099
BindingDB Entry DOI: 10.7270/Q2BG2P5T |
More data for this
Ligand-Target Pair | |
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