Found 9428 hits with Last Name = 'dong' and Initial = 's' 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 |
|---|
Histone-lysine N-methyltransferase, H3 lysine-79 specific
(Homo sapiens (Human)) | BDBM50396023
(CHEMBL2169919)Show SMILES CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12 |r| Show InChI InChI=1S/C28H41N7O4/c1-17(2)34(13-6-12-30-27(38)33-19-9-7-18(8-10-19)28(3,4)5)15-21-22(36)23(37)26(39-21)35-14-11-20-24(29)31-16-32-25(20)35/h7-11,14,16-17,21-23,26,36-37H,6,12-13,15H2,1-5H3,(H2,29,31,32)(H2,30,33,38)/t21-,22-,23-,26-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor College of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DOT1L (catalytic domain 1 to 472) using [3H]-SAM by scintillation containing |
Medchemcomm 4: 822-826 (2013)
Article DOI: 10.1039/c3md00021d
BindingDB Entry DOI: 10.7270/Q2R49TR1 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Histone-lysine N-methyltransferase, H3 lysine-79 specific
(Homo sapiens (Human)) | BDBM50396980
(CHEMBL2171169)Show SMILES CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C27H40N8O4/c1-16(2)34(12-6-11-29-26(38)33-18-9-7-17(8-10-18)27(3,4)5)13-19-21(36)22(37)25(39-19)35-15-32-20-23(28)30-14-31-24(20)35/h7-10,14-16,19,21-22,25,36-37H,6,11-13H2,1-5H3,(H2,28,30,31)(H2,29,33,38)/t19-,21-,22-,25-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 0.460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor College of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DOT1L catalytic domain amino acid (1 to 472) using [3H]-SAM after 30 mins by scintillation counter |
J Med Chem 55: 8066-74 (2012)
Article DOI: 10.1021/jm300917h
BindingDB Entry DOI: 10.7270/Q2TD9ZGG |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Histone-lysine N-methyltransferase, H3 lysine-79 specific
(Homo sapiens (Human)) | BDBM50396980
(CHEMBL2171169)Show SMILES CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C27H40N8O4/c1-16(2)34(12-6-11-29-26(38)33-18-9-7-17(8-10-18)27(3,4)5)13-19-21(36)22(37)25(39-19)35-15-32-20-23(28)30-14-31-24(20)35/h7-10,14-16,19,21-22,25,36-37H,6,11-13H2,1-5H3,(H2,28,30,31)(H2,29,33,38)/t19-,21-,22-,25-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
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Similars
| PDB
Article
PubMed
| 0.720 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor College of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DOT1L (catalytic domain 1 to 472) using [3H]-SAM by scintillation containing |
Medchemcomm 4: 822-826 (2013)
Article DOI: 10.1039/c3md00021d
BindingDB Entry DOI: 10.7270/Q2R49TR1 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Histone-lysine N-methyltransferase, H3 lysine-79 specific
(Homo sapiens (Human)) | BDBM50396979
(CHEMBL2171170)Show SMILES CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CN(CCCNC(=O)Nc2ccc(cc2)C(C)(C)C)C(C)C)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C28H42N8O4/c1-17(2)35(13-7-12-30-27(39)34-19-10-8-18(9-11-19)28(3,4)5)14-20-22(37)23(38)26(40-20)36-16-33-21-24(29-6)31-15-32-25(21)36/h8-11,15-17,20,22-23,26,37-38H,7,12-14H2,1-6H3,(H,29,31,32)(H2,30,34,39)/t20-,22-,23-,26-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.760 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor College of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DOT1L catalytic domain amino acid (1 to 472) using [3H]-SAM after 30 mins by scintillation counter |
J Med Chem 55: 8066-74 (2012)
Article DOI: 10.1021/jm300917h
BindingDB Entry DOI: 10.7270/Q2TD9ZGG |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase, H3 lysine-79 specific
(Homo sapiens (Human)) | BDBM50443018
(CHEMBL3087503)Show SMILES CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C28H42N8O3/c1-17(2)35(12-6-11-30-27(39)34-20-9-7-19(8-10-20)28(3,4)5)14-18-13-21(24(38)23(18)37)36-16-33-22-25(29)31-15-32-26(22)36/h7-10,15-18,21,23-24,37-38H,6,11-14H2,1-5H3,(H2,29,31,32)(H2,30,34,39)/t18-,21-,23-,24+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor College of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DOT1L (catalytic domain 1 to 472) using [3H]-SAM by scintillation containing |
Medchemcomm 4: 822-826 (2013)
Article DOI: 10.1039/c3md00021d
BindingDB Entry DOI: 10.7270/Q2R49TR1 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase, H3 lysine-79 specific
(Homo sapiens (Human)) | BDBM50443019
(CHEMBL3087502)Show SMILES CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)CC1=C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r,t:23| Show InChI InChI=1S/C28H40N8O3/c1-17(2)35(12-6-11-30-27(39)34-20-9-7-19(8-10-20)28(3,4)5)14-18-13-21(24(38)23(18)37)36-16-33-22-25(29)31-15-32-26(22)36/h7-10,13,15-17,21,23-24,37-38H,6,11-12,14H2,1-5H3,(H2,29,31,32)(H2,30,34,39)/t21-,23-,24+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor College of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DOT1L (catalytic domain 1 to 472) using [3H]-SAM by scintillation containing |
Medchemcomm 4: 822-826 (2013)
Article DOI: 10.1039/c3md00021d
BindingDB Entry DOI: 10.7270/Q2R49TR1 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase, H3 lysine-79 specific
(Homo sapiens (Human)) | BDBM50396978
(CHEMBL2171171)Show SMILES CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC=C)ncnc12 |r| Show InChI InChI=1S/C30H44N8O4/c1-7-13-31-26-23-27(34-17-33-26)38(18-35-23)28-25(40)24(39)22(42-28)16-37(19(2)3)15-8-14-32-29(41)36-21-11-9-20(10-12-21)30(4,5)6/h7,9-12,17-19,22,24-25,28,39-40H,1,8,13-16H2,2-6H3,(H,31,33,34)(H2,32,36,41)/t22-,24-,25-,28-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor College of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DOT1L catalytic domain amino acid (1 to 472) using [3H]-SAM after 30 mins by scintillation counter |
J Med Chem 55: 8066-74 (2012)
Article DOI: 10.1021/jm300917h
BindingDB Entry DOI: 10.7270/Q2TD9ZGG |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase, H3 lysine-79 specific
(Homo sapiens (Human)) | BDBM50396977
(CHEMBL2171172)Show SMILES CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12 |r| Show InChI InChI=1S/C34H46N8O4/c1-22(2)41(17-9-16-35-33(45)40-25-14-12-24(13-15-25)34(3,4)5)19-26-28(43)29(44)32(46-26)42-21-39-27-30(37-20-38-31(27)42)36-18-23-10-7-6-8-11-23/h6-8,10-15,20-22,26,28-29,32,43-44H,9,16-19H2,1-5H3,(H2,35,40,45)(H,36,37,38)/t26-,28-,29-,32-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor College of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DOT1L catalytic domain amino acid (1 to 472) using [3H]-SAM after 30 mins by scintillation counter |
J Med Chem 55: 8066-74 (2012)
Article DOI: 10.1021/jm300917h
BindingDB Entry DOI: 10.7270/Q2TD9ZGG |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase, H3 lysine-79 specific
(Homo sapiens (Human)) | BDBM50396988
(CHEMBL2170997)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCCNC(=O)Nc2ccc(cc2)C(F)(F)F)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C21H24F3N7O4S/c22-21(23,24)11-2-4-12(5-3-11)30-20(34)26-6-1-7-36-8-13-15(32)16(33)19(35-13)31-10-29-14-17(25)27-9-28-18(14)31/h2-5,9-10,13,15-16,19,32-33H,1,6-8H2,(H2,25,27,28)(H2,26,30,34)/t13-,15-,16-,19-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor College of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DOT1L catalytic domain amino acid (1 to 472) using [3H]-SAM after 30 mins by scintillation counter |
J Med Chem 55: 8066-74 (2012)
Article DOI: 10.1021/jm300917h
BindingDB Entry DOI: 10.7270/Q2TD9ZGG |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase, H3 lysine-79 specific
(Homo sapiens (Human)) | BDBM50396992
(CHEMBL2170993)Show SMILES CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCCNC(=O)Nc2ccc(cc2)C(C)(C)C)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C25H35N7O4S/c1-25(2,3)15-6-8-16(9-7-15)31-24(35)27-10-5-11-37-12-17-19(33)20(34)23(36-17)32-14-30-18-21(26-4)28-13-29-22(18)32/h6-9,13-14,17,19-20,23,33-34H,5,10-12H2,1-4H3,(H,26,28,29)(H2,27,31,35)/t17-,19-,20-,23-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor College of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DOT1L catalytic domain amino acid (1 to 472) using [3H]-SAM after 30 mins by scintillation counter |
J Med Chem 55: 8066-74 (2012)
Article DOI: 10.1021/jm300917h
BindingDB Entry DOI: 10.7270/Q2TD9ZGG |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase, H3 lysine-79 specific
(Homo sapiens (Human)) | BDBM50396983
(CHEMBL2171002)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCCNC(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C22H23F6N7O4S/c23-21(24,25)10-4-11(22(26,27)28)6-12(5-10)34-20(38)30-2-1-3-40-7-13-15(36)16(37)19(39-13)35-9-33-14-17(29)31-8-32-18(14)35/h4-6,8-9,13,15-16,19,36-37H,1-3,7H2,(H2,29,31,32)(H2,30,34,38)/t13-,15-,16-,19-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor College of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DOT1L catalytic domain amino acid (1 to 472) using [3H]-SAM after 30 mins by scintillation counter |
J Med Chem 55: 8066-74 (2012)
Article DOI: 10.1021/jm300917h
BindingDB Entry DOI: 10.7270/Q2TD9ZGG |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase, H3 lysine-79 specific
(Homo sapiens (Human)) | BDBM50396991
(CHEMBL2170994)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCCNC(=O)Nc2ccc(Cl)cc2)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C20H24ClN7O4S/c21-11-2-4-12(5-3-11)27-20(31)23-6-1-7-33-8-13-15(29)16(30)19(32-13)28-10-26-14-17(22)24-9-25-18(14)28/h2-5,9-10,13,15-16,19,29-30H,1,6-8H2,(H2,22,24,25)(H2,23,27,31)/t13-,15-,16-,19-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 82 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor College of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DOT1L catalytic domain amino acid (1 to 472) using [3H]-SAM after 30 mins by scintillation counter |
J Med Chem 55: 8066-74 (2012)
Article DOI: 10.1021/jm300917h
BindingDB Entry DOI: 10.7270/Q2TD9ZGG |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50434276
(CHEMBL2386125)Show InChI InChI=1S/C12H13NO2/c14-12-7-6-11(9-13(12)15)8-10-4-2-1-3-5-10/h1-7,9,12,14-15H,8H2 | PDB
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor College of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human IDH1 R132C mutant expressed in Escherichia coli BL21-CodonPlus assessed as reduction in NADPH consumption |
J Med Chem 57: 8307-18 (2014)
Article DOI: 10.1021/jm500660f
BindingDB Entry DOI: 10.7270/Q23J3FJR |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase, H3 lysine-79 specific
(Homo sapiens (Human)) | BDBM50396985
(CHEMBL2171000)Show SMILES CCc1cccc(NC(=O)NCCCSC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)c1 |r| Show InChI InChI=1S/C22H29N7O4S/c1-2-13-5-3-6-14(9-13)28-22(32)24-7-4-8-34-10-15-17(30)18(31)21(33-15)29-12-27-16-19(23)25-11-26-20(16)29/h3,5-6,9,11-12,15,17-18,21,30-31H,2,4,7-8,10H2,1H3,(H2,23,25,26)(H2,24,28,32)/t15-,17-,18-,21-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor College of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DOT1L catalytic domain amino acid (1 to 472) using [3H]-SAM after 30 mins by scintillation counter |
J Med Chem 55: 8066-74 (2012)
Article DOI: 10.1021/jm300917h
BindingDB Entry DOI: 10.7270/Q2TD9ZGG |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50029465
(CHEMBL3343445)Show InChI InChI=1S/C13H13NO3/c1-9-5-11(14(17)13(16)6-9)7-10-3-2-4-12(15)8-10/h2-6,8,15,17H,7H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor College of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human IDH1 R132H mutant expressed in Escherichia coli BL21-CodonPlus assessed as reduction in NADPH consumption |
J Med Chem 57: 8307-18 (2014)
Article DOI: 10.1021/jm500660f
BindingDB Entry DOI: 10.7270/Q23J3FJR |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50029491
(CHEMBL3343464)Show InChI InChI=1S/C20H19NO3/c1-14-10-18(21(23)20(22)11-14)12-15-6-8-16(9-7-15)17-4-3-5-19(13-17)24-2/h3-11,13,23H,12H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor College of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human IDH1 R132H mutant expressed in Escherichia coli BL21-CodonPlus assessed as reduction in NADPH consumption |
J Med Chem 57: 8307-18 (2014)
Article DOI: 10.1021/jm500660f
BindingDB Entry DOI: 10.7270/Q23J3FJR |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase, H3 lysine-79 specific
(Homo sapiens (Human)) | BDBM50396987
(CHEMBL2170998)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCCNC(=O)Nc2ccc(OC(F)(F)F)cc2)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C21H24F3N7O5S/c22-21(23,24)36-12-4-2-11(3-5-12)30-20(34)26-6-1-7-37-8-13-15(32)16(33)19(35-13)31-10-29-14-17(25)27-9-28-18(14)31/h2-5,9-10,13,15-16,19,32-33H,1,6-8H2,(H2,25,27,28)(H2,26,30,34)/t13-,15-,16-,19-/m1/s1 | PDB
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| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor College of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DOT1L catalytic domain amino acid (1 to 472) using [3H]-SAM after 30 mins by scintillation counter |
J Med Chem 55: 8066-74 (2012)
Article DOI: 10.1021/jm300917h
BindingDB Entry DOI: 10.7270/Q2TD9ZGG |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50029463
(CHEMBL3343444)Show InChI InChI=1S/C14H15NO3/c1-10-6-12(15(17)14(16)7-10)8-11-4-3-5-13(9-11)18-2/h3-7,9,17H,8H2,1-2H3 | PDB
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| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor College of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human IDH1 R132H mutant expressed in Escherichia coli BL21-CodonPlus assessed as reduction in NADPH consumption |
J Med Chem 57: 8307-18 (2014)
Article DOI: 10.1021/jm500660f
BindingDB Entry DOI: 10.7270/Q23J3FJR |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase, H3 lysine-79 specific
(Homo sapiens (Human)) | BDBM50009672
(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O Show InChI InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1 | PDB
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| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor College of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DOT1L catalytic domain amino acid (1 to 472) using [3H]-SAM after 30 mins by scintillation counter |
J Med Chem 55: 8066-74 (2012)
Article DOI: 10.1021/jm300917h
BindingDB Entry DOI: 10.7270/Q2TD9ZGG |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50434278
(CHEMBL2386126)Show InChI InChI=1S/C13H13NO2/c1-10-7-12(14(16)13(15)8-10)9-11-5-3-2-4-6-11/h2-8,16H,9H2,1H3 | PDB
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| 190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor College of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human IDH1 R132H mutant expressed in Escherichia coli BL21-CodonPlus assessed as reduction in NADPH consumption |
J Med Chem 57: 8307-18 (2014)
Article DOI: 10.1021/jm500660f
BindingDB Entry DOI: 10.7270/Q23J3FJR |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Histone-lysine N-methyltransferase, H3 lysine-79 specific
(Homo sapiens (Human)) | BDBM50396990
(CHEMBL2170995)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCCNC(=O)Nc2ccc(Br)cc2)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C20H24BrN7O4S/c21-11-2-4-12(5-3-11)27-20(31)23-6-1-7-33-8-13-15(29)16(30)19(32-13)28-10-26-14-17(22)24-9-25-18(14)28/h2-5,9-10,13,15-16,19,29-30H,1,6-8H2,(H2,22,24,25)(H2,23,27,31)/t13-,15-,16-,19-/m1/s1 | PDB
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| 190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor College of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DOT1L catalytic domain amino acid (1 to 472) using [3H]-SAM after 30 mins by scintillation counter |
J Med Chem 55: 8066-74 (2012)
Article DOI: 10.1021/jm300917h
BindingDB Entry DOI: 10.7270/Q2TD9ZGG |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50029489
(CHEMBL3343463)Show InChI InChI=1S/C19H17NO3/c1-13-10-17(20(23)19(22)11-13)12-14-2-4-15(5-3-14)16-6-8-18(21)9-7-16/h2-11,21,23H,12H2,1H3 | PDB
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| 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor College of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human IDH1 R132H mutant expressed in Escherichia coli BL21-CodonPlus assessed as reduction in NADPH consumption |
J Med Chem 57: 8307-18 (2014)
Article DOI: 10.1021/jm500660f
BindingDB Entry DOI: 10.7270/Q23J3FJR |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50029463
(CHEMBL3343444)Show InChI InChI=1S/C14H15NO3/c1-10-6-12(15(17)14(16)7-10)8-11-4-3-5-13(9-11)18-2/h3-7,9,17H,8H2,1-2H3 | PDB
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| 260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor College of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human IDH1 R132C mutant expressed in Escherichia coli BL21-CodonPlus assessed as reduction in NADPH consumption |
J Med Chem 57: 8307-18 (2014)
Article DOI: 10.1021/jm500660f
BindingDB Entry DOI: 10.7270/Q23J3FJR |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase, H3 lysine-79 specific
(Homo sapiens (Human)) | BDBM50396989
(CHEMBL2170996)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCCNC(=O)Nc2ccc(I)cc2)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C20H24IN7O4S/c21-11-2-4-12(5-3-11)27-20(31)23-6-1-7-33-8-13-15(29)16(30)19(32-13)28-10-26-14-17(22)24-9-25-18(14)28/h2-5,9-10,13,15-16,19,29-30H,1,6-8H2,(H2,22,24,25)(H2,23,27,31)/t13-,15-,16-,19-/m1/s1 | PDB
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| 270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor College of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DOT1L catalytic domain amino acid (1 to 472) using [3H]-SAM after 30 mins by scintillation counter |
J Med Chem 55: 8066-74 (2012)
Article DOI: 10.1021/jm300917h
BindingDB Entry DOI: 10.7270/Q2TD9ZGG |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50029492
(CHEMBL3343465)Show InChI InChI=1S/C19H17NO3/c1-13-9-17(20(23)19(22)10-13)11-14-5-7-15(8-6-14)16-3-2-4-18(21)12-16/h2-10,12,21,23H,11H2,1H3 | PDB
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| 270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor College of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human IDH1 R132H mutant expressed in Escherichia coli BL21-CodonPlus assessed as reduction in NADPH consumption |
J Med Chem 57: 8307-18 (2014)
Article DOI: 10.1021/jm500660f
BindingDB Entry DOI: 10.7270/Q23J3FJR |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50434275
(CHEMBL2386128)Show InChI InChI=1S/C12H11NO2/c14-12-8-4-7-11(13(12)15)9-10-5-2-1-3-6-10/h1-8,15H,9H2 | PDB
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| 270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor College of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human IDH1 R132C mutant expressed in Escherichia coli BL21-CodonPlus assessed as reduction in NADPH consumption |
J Med Chem 57: 8307-18 (2014)
Article DOI: 10.1021/jm500660f
BindingDB Entry DOI: 10.7270/Q23J3FJR |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50434277
(CHEMBL2386127)Show InChI InChI=1S/C13H13NO3/c1-9-6-11(14(17)13(16)7-9)8-10-2-4-12(15)5-3-10/h2-7,15,17H,8H2,1H3 | PDB
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| 280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor College of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human IDH1 R132H mutant expressed in Escherichia coli BL21-CodonPlus assessed as reduction in NADPH consumption |
J Med Chem 57: 8307-18 (2014)
Article DOI: 10.1021/jm500660f
BindingDB Entry DOI: 10.7270/Q23J3FJR |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Histone-lysine N-methyltransferase, H3 lysine-79 specific
(Homo sapiens (Human)) | BDBM50396981
(CHEMBL2171174)Show SMILES CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCC[C@H](N)C(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H22N6O5S/c1-17-12-9-13(19-5-18-12)21(6-20-9)14-11(23)10(22)8(26-14)4-27-3-2-7(16)15(24)25/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H,24,25)(H,17,18,19)/t7-,8+,10+,11+,14+/m0/s1 | PDB
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| 290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor College of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DOT1L (catalytic domain 1 to 472) using [3H]-SAM by scintillation containing |
Medchemcomm 4: 822-826 (2013)
Article DOI: 10.1039/c3md00021d
BindingDB Entry DOI: 10.7270/Q2R49TR1 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Histone-lysine N-methyltransferase, H3 lysine-79 specific
(Homo sapiens (Human)) | BDBM50396981
(CHEMBL2171174)Show SMILES CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCC[C@H](N)C(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H22N6O5S/c1-17-12-9-13(19-5-18-12)21(6-20-9)14-11(23)10(22)8(26-14)4-27-3-2-7(16)15(24)25/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H,24,25)(H,17,18,19)/t7-,8+,10+,11+,14+/m0/s1 | PDB
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| 290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor College of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DOT1L catalytic domain amino acid (1 to 472) using [3H]-SAM after 30 mins by scintillation counter |
J Med Chem 55: 8066-74 (2012)
Article DOI: 10.1021/jm300917h
BindingDB Entry DOI: 10.7270/Q2TD9ZGG |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50029493
(CHEMBL3343466)Show SMILES Cc1cc(Cc2cc(cc(c2)-c2ccccc2)-c2ccccc2)n(O)c(=O)c1 Show InChI InChI=1S/C25H21NO2/c1-18-12-24(26(28)25(27)13-18)16-19-14-22(20-8-4-2-5-9-20)17-23(15-19)21-10-6-3-7-11-21/h2-15,17,28H,16H2,1H3 | PDB
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| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor College of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human IDH1 R132H mutant expressed in Escherichia coli BL21-CodonPlus assessed as reduction in NADPH consumption |
J Med Chem 57: 8307-18 (2014)
Article DOI: 10.1021/jm500660f
BindingDB Entry DOI: 10.7270/Q23J3FJR |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50029488
(CHEMBL3343462)Show InChI InChI=1S/C20H19NO3/c1-14-11-18(21(23)20(22)12-14)13-15-3-5-16(6-4-15)17-7-9-19(24-2)10-8-17/h3-12,23H,13H2,1-2H3 | PDB
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| 340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor College of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human IDH1 R132H mutant expressed in Escherichia coli BL21-CodonPlus assessed as reduction in NADPH consumption |
J Med Chem 57: 8307-18 (2014)
Article DOI: 10.1021/jm500660f
BindingDB Entry DOI: 10.7270/Q23J3FJR |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase, H3 lysine-79 specific
(Homo sapiens (Human)) | BDBM50396993
(CHEMBL2170992)Show SMILES CC(C)c1ccc(NC(=O)NCCCSC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)cc1 |r| Show InChI InChI=1S/C23H31N7O4S/c1-13(2)14-4-6-15(7-5-14)29-23(33)25-8-3-9-35-10-16-18(31)19(32)22(34-16)30-12-28-17-20(24)26-11-27-21(17)30/h4-7,11-13,16,18-19,22,31-32H,3,8-10H2,1-2H3,(H2,24,26,27)(H2,25,29,33)/t16-,18-,19-,22-/m1/s1 | PDB
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| 350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor College of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DOT1L catalytic domain amino acid (1 to 472) using [3H]-SAM after 30 mins by scintillation counter |
J Med Chem 55: 8066-74 (2012)
Article DOI: 10.1021/jm300917h
BindingDB Entry DOI: 10.7270/Q2TD9ZGG |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50029557
(CHEMBL3343439)Show InChI InChI=1S/C12H11NO3/c14-11-7-10(13(16)12(15)8-11)6-9-4-2-1-3-5-9/h1-5,7-8,14,16H,6H2 | PDB
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| 380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor College of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human IDH1 R132H mutant expressed in Escherichia coli BL21-CodonPlus assessed as reduction in NADPH consumption |
J Med Chem 57: 8307-18 (2014)
Article DOI: 10.1021/jm500660f
BindingDB Entry DOI: 10.7270/Q23J3FJR |
More data for this
Ligand-Target Pair | |
Protein arginine N-methyltransferase 1 [11-371]
(Homo sapiens (Human)) | BDBM50009672
(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O Show InChI InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1 | PDB
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| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor College of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of PRMT1 |
J Med Chem 55: 8066-74 (2012)
Article DOI: 10.1021/jm300917h
BindingDB Entry DOI: 10.7270/Q2TD9ZGG |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50029465
(CHEMBL3343445)Show InChI InChI=1S/C13H13NO3/c1-9-5-11(14(17)13(16)6-9)7-10-3-2-4-12(15)8-10/h2-6,8,15,17H,7H2,1H3 | PDB
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| 420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor College of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human IDH1 R132C mutant expressed in Escherichia coli BL21-CodonPlus assessed as reduction in NADPH consumption |
J Med Chem 57: 8307-18 (2014)
Article DOI: 10.1021/jm500660f
BindingDB Entry DOI: 10.7270/Q23J3FJR |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50029466
(CHEMBL3343446)Show InChI InChI=1S/C14H15NO3/c1-10-7-12(15(17)14(16)8-10)9-11-5-3-4-6-13(11)18-2/h3-8,17H,9H2,1-2H3 | PDB
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| 490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor College of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human IDH1 R132H mutant expressed in Escherichia coli BL21-CodonPlus assessed as reduction in NADPH consumption |
J Med Chem 57: 8307-18 (2014)
Article DOI: 10.1021/jm500660f
BindingDB Entry DOI: 10.7270/Q23J3FJR |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase, H3 lysine-79 specific
(Homo sapiens (Human)) | BDBM50396996
(CHEMBL2170989)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCCNC(=O)Nc2ccccc2)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C20H25N7O4S/c21-17-14-18(24-10-23-17)27(11-25-14)19-16(29)15(28)13(31-19)9-32-8-4-7-22-20(30)26-12-5-2-1-3-6-12/h1-3,5-6,10-11,13,15-16,19,28-29H,4,7-9H2,(H2,21,23,24)(H2,22,26,30)/t13-,15-,16-,19-/m1/s1 | PDB
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PC sid
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| Article
PubMed
| 550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor College of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DOT1L catalytic domain amino acid (1 to 472) using [3H]-SAM after 30 mins by scintillation counter |
J Med Chem 55: 8066-74 (2012)
Article DOI: 10.1021/jm300917h
BindingDB Entry DOI: 10.7270/Q2TD9ZGG |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50029489
(CHEMBL3343463)Show InChI InChI=1S/C19H17NO3/c1-13-10-17(20(23)19(22)11-13)12-14-2-4-15(5-3-14)16-6-8-18(21)9-7-16/h2-11,21,23H,12H2,1H3 | PDB
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 560 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor College of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human IDH1 R132C mutant expressed in Escherichia coli BL21-CodonPlus assessed as reduction in NADPH consumption |
J Med Chem 57: 8307-18 (2014)
Article DOI: 10.1021/jm500660f
BindingDB Entry DOI: 10.7270/Q23J3FJR |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50029461
(CHEMBL3343443)Show InChI InChI=1S/C14H15NO3/c1-10-7-12(15(17)14(16)8-10)9-11-3-5-13(18-2)6-4-11/h3-8,17H,9H2,1-2H3 | PDB
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PubMed
| 560 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor College of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human IDH1 R132H mutant expressed in Escherichia coli BL21-CodonPlus assessed as reduction in NADPH consumption |
J Med Chem 57: 8307-18 (2014)
Article DOI: 10.1021/jm500660f
BindingDB Entry DOI: 10.7270/Q23J3FJR |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50029480
(CHEMBL3343456)Show InChI InChI=1S/C19H17NO2/c1-14-10-18(20(22)19(21)11-14)13-15-6-5-9-17(12-15)16-7-3-2-4-8-16/h2-12,22H,13H2,1H3 | PDB
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| CHEMBL
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PC sid
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| Article
PubMed
| 600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor College of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human IDH1 R132H mutant expressed in Escherichia coli BL21-CodonPlus assessed as reduction in NADPH consumption |
J Med Chem 57: 8307-18 (2014)
Article DOI: 10.1021/jm500660f
BindingDB Entry DOI: 10.7270/Q23J3FJR |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50029491
(CHEMBL3343464)Show InChI InChI=1S/C20H19NO3/c1-14-10-18(21(23)20(22)11-14)12-15-6-8-16(9-7-15)17-4-3-5-19(13-17)24-2/h3-11,13,23H,12H2,1-2H3 | PDB
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UniChem
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| Article
PubMed
| 620 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor College of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human IDH1 R132C mutant expressed in Escherichia coli BL21-CodonPlus assessed as reduction in NADPH consumption |
J Med Chem 57: 8307-18 (2014)
Article DOI: 10.1021/jm500660f
BindingDB Entry DOI: 10.7270/Q23J3FJR |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50029469
(CHEMBL3341775)Show InChI InChI=1S/C13H13NO3/c1-9-6-11(14(17)13(16)7-9)8-10-4-2-3-5-12(10)15/h2-7,15,17H,8H2,1H3 | PDB
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PubMed
| 650 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor College of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human IDH1 R132H mutant expressed in Escherichia coli BL21-CodonPlus assessed as reduction in NADPH consumption |
J Med Chem 57: 8307-18 (2014)
Article DOI: 10.1021/jm500660f
BindingDB Entry DOI: 10.7270/Q23J3FJR |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase, H3 lysine-79 specific
(Homo sapiens (Human)) | BDBM50396986
(CHEMBL2170999)Show SMILES CCc1ccccc1NC(=O)NCCCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C22H29N7O4S/c1-2-13-6-3-4-7-14(13)28-22(32)24-8-5-9-34-10-15-17(30)18(31)21(33-15)29-12-27-16-19(23)25-11-26-20(16)29/h3-4,6-7,11-12,15,17-18,21,30-31H,2,5,8-10H2,1H3,(H2,23,25,26)(H2,24,28,32)/t15-,17-,18-,21-/m1/s1 | PDB
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| Article
PubMed
| 690 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor College of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DOT1L catalytic domain amino acid (1 to 472) using [3H]-SAM after 30 mins by scintillation counter |
J Med Chem 55: 8066-74 (2012)
Article DOI: 10.1021/jm300917h
BindingDB Entry DOI: 10.7270/Q2TD9ZGG |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50029481
(CHEMBL3343457)Show InChI InChI=1S/C19H17NO3/c1-14-11-16(20(22)19(21)12-14)13-15-7-9-18(10-8-15)23-17-5-3-2-4-6-17/h2-12,22H,13H2,1H3 | PDB
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PubMed
| 750 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor College of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human IDH1 R132H mutant expressed in Escherichia coli BL21-CodonPlus assessed as reduction in NADPH consumption |
J Med Chem 57: 8307-18 (2014)
Article DOI: 10.1021/jm500660f
BindingDB Entry DOI: 10.7270/Q23J3FJR |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50029488
(CHEMBL3343462)Show InChI InChI=1S/C20H19NO3/c1-14-11-18(21(23)20(22)12-14)13-15-3-5-16(6-4-15)17-7-9-19(24-2)10-8-17/h3-12,23H,13H2,1-2H3 | PDB
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| 800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor College of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human IDH1 R132C mutant expressed in Escherichia coli BL21-CodonPlus assessed as reduction in NADPH consumption |
J Med Chem 57: 8307-18 (2014)
Article DOI: 10.1021/jm500660f
BindingDB Entry DOI: 10.7270/Q23J3FJR |
More data for this
Ligand-Target Pair | |
Histone-arginine methyltransferase CARM1
(Homo sapiens (Human)) | BDBM50009672
(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O Show InChI InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1 | PDB
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Article
PubMed
| 860 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor College of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of CARM1 |
J Med Chem 55: 8066-74 (2012)
Article DOI: 10.1021/jm300917h
BindingDB Entry DOI: 10.7270/Q2TD9ZGG |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50029641
(CHEMBL3343435)Show InChI InChI=1S/C13H13NO3/c1-10-7-11(14(16)13(15)8-10)9-17-12-5-3-2-4-6-12/h2-8,16H,9H2,1H3 | PDB
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| 870 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor College of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human IDH1 R132H mutant expressed in Escherichia coli BL21-CodonPlus assessed as reduction in NADPH consumption |
J Med Chem 57: 8307-18 (2014)
Article DOI: 10.1021/jm500660f
BindingDB Entry DOI: 10.7270/Q23J3FJR |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50029479
(CHEMBL3343455)Show InChI InChI=1S/C11H11NO2S/c1-8-4-10(12(14)11(13)5-8)6-9-2-3-15-7-9/h2-5,7,14H,6H2,1H3 | PDB
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| 950 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor College of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human IDH1 R132H mutant expressed in Escherichia coli BL21-CodonPlus assessed as reduction in NADPH consumption |
J Med Chem 57: 8307-18 (2014)
Article DOI: 10.1021/jm500660f
BindingDB Entry DOI: 10.7270/Q23J3FJR |
More data for this
Ligand-Target Pair | |
Isocitrate dehydrogenase [NADP] cytoplasmic
(Homo sapiens (Human)) | BDBM50029483
(CHEMBL3343458)Show InChI InChI=1S/C17H15NO2/c1-12-9-15(18(20)17(19)10-12)11-14-7-4-6-13-5-2-3-8-16(13)14/h2-10,20H,11H2,1H3 | PDB
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PubMed
| 950 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor College of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human IDH1 R132H mutant expressed in Escherichia coli BL21-CodonPlus assessed as reduction in NADPH consumption |
J Med Chem 57: 8307-18 (2014)
Article DOI: 10.1021/jm500660f
BindingDB Entry DOI: 10.7270/Q23J3FJR |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase, H3 lysine-79 specific
(Homo sapiens (Human)) | BDBM50396984
(CHEMBL2171001)Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSCCCNC(=O)Nc2ccc(F)cc2F)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C20H23F2N7O4S/c21-10-2-3-12(11(22)6-10)28-20(32)24-4-1-5-34-7-13-15(30)16(31)19(33-13)29-9-27-14-17(23)25-8-26-18(14)29/h2-3,6,8-9,13,15-16,19,30-31H,1,4-5,7H2,(H2,23,25,26)(H2,24,28,32)/t13-,15-,16-,19-/m1/s1 | PDB
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| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Baylor College of Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant DOT1L catalytic domain amino acid (1 to 472) using [3H]-SAM after 30 mins by scintillation counter |
J Med Chem 55: 8066-74 (2012)
Article DOI: 10.1021/jm300917h
BindingDB Entry DOI: 10.7270/Q2TD9ZGG |
More data for this
Ligand-Target Pair | |
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