Found 143 hits with Last Name = 'hyer' and Initial = 'ml' 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 |
|---|
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50362985
(CHEMBL1945502)Show SMILES COc1ccc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)cc1CCCN(C)C Show InChI InChI=1S/C24H26ClN5OS/c1-30(2)10-4-5-15-11-18(7-9-21(15)31-3)27-24-26-14-16-12-22(32)28-20-13-17(25)6-8-19(20)23(16)29-24/h6-9,11,13-14H,4-5,10,12H2,1-3H3,(H,28,32)(H,26,27,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of KDR |
J Med Chem 55: 197-208 (2012)
Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR |
More data for this
Ligand-Target Pair | |
S-adenosylmethionine synthase isoform type-2
(Human) | BDBM50576017
(CHEMBL4552959)Show SMILES CCOC(=O)c1nnc(Nc2[nH]c3c(c(nn3c(=O)c2-c2ccc3ncccc3c2)-c2ccccc2)-c2ccccc2)o1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells assessed as S-adenosyl methionine production using L-methionine as ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01895
BindingDB Entry DOI: 10.7270/Q20R9T7P |
More data for this
Ligand-Target Pair | |
S-adenosylmethionine synthase isoform type-2
(Human) | BDBM50576014
(CHEMBL4521249)Show SMILES O=c1c(-c2ccc3ncccc3c2)c(Nc2cc[nH]n2)[nH]c2c(c(nn12)-c1ccccc1)C1=CCCCC1 |t:38| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells assessed as S-adenosyl methionine production using L-methionine as ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01895
BindingDB Entry DOI: 10.7270/Q20R9T7P |
More data for this
Ligand-Target Pair | |
S-adenosylmethionine synthase isoform type-2
(Human) | BDBM50576013
(CHEMBL4558617)Show SMILES COc1ccc(cc1)-c1c(Nc2cc[nH]n2)[nH]c2c(c(nn2c1=O)-c1ccccc1)C1=CCCCC1 |t:35| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells assessed as S-adenosyl methionine production using L-methionine as ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01895
BindingDB Entry DOI: 10.7270/Q20R9T7P |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK3
(Homo sapiens (Human)) | BDBM50362988
(CHEMBL1945500)Show SMILES CN(C)CCCc1cc(Cl)cc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1 Show InChI InChI=1S/C23H23Cl2N5S/c1-30(2)7-3-4-14-8-17(25)11-18(9-14)27-23-26-13-15-10-21(31)28-20-12-16(24)5-6-19(20)22(15)29-23/h5-6,8-9,11-13H,3-4,7,10H2,1-2H3,(H,28,31)(H,26,27,29) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PLK3 |
J Med Chem 55: 197-208 (2012)
Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK3
(Homo sapiens (Human)) | BDBM50362985
(CHEMBL1945502)Show SMILES COc1ccc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)cc1CCCN(C)C Show InChI InChI=1S/C24H26ClN5OS/c1-30(2)10-4-5-15-11-18(7-9-21(15)31-3)27-24-26-14-16-12-22(32)28-20-13-17(25)6-8-19(20)23(16)29-24/h6-9,11,13-14H,4-5,10,12H2,1-3H3,(H,28,32)(H,26,27,29) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PLK3 |
J Med Chem 55: 197-208 (2012)
Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK3
(Homo sapiens (Human)) | BDBM50362986
(CHEMBL1945501)Show SMILES CN(C)CCCc1cc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)ccc1F Show InChI InChI=1S/C23H23ClFN5S/c1-30(2)9-3-4-14-10-17(6-8-19(14)25)27-23-26-13-15-11-21(31)28-20-12-16(24)5-7-18(20)22(15)29-23/h5-8,10,12-13H,3-4,9,11H2,1-2H3,(H,28,31)(H,26,27,29) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PLK3 |
J Med Chem 55: 197-208 (2012)
Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR |
More data for this
Ligand-Target Pair | |
S-adenosylmethionine synthase isoform type-2
(Human) | BDBM50576015
(CHEMBL4582312)Show SMILES O=c1c(-c2ccc3ncccc3c2)c(Nc2cc[nH]n2)[nH]c2c(c(nn12)-c1ccccc1)-c1ccccc1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells assessed as S-adenosyl methionine production using L-methionine as ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01895
BindingDB Entry DOI: 10.7270/Q20R9T7P |
More data for this
Ligand-Target Pair | |
S-adenosylmethionine synthase isoform type-2
(Human) | BDBM50576011
(CHEMBL4514699)Show SMILES Oc1ccc(cc1)-c1c(Nc2cc[nH]n2)[nH]c2c(c(nn2c1=O)-c1ccccc1)-c1ccccc1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells assessed as S-adenosyl methionine production using L-methionine as ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01895
BindingDB Entry DOI: 10.7270/Q20R9T7P |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
S-adenosylmethionine synthase isoform type-2
(Human) | BDBM50576019
(CHEMBL4568226)Show SMILES COc1ccc(cc1)-c1c(Nc2ccccn2)[nH]c2c(c(nn2c1=O)-c1ccccc1)-c1ccccc1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells assessed as S-adenosyl methionine production using L-methionine as ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01895
BindingDB Entry DOI: 10.7270/Q20R9T7P |
More data for this
Ligand-Target Pair | |
S-adenosylmethionine synthase isoform type-2
(Human) | BDBM50575996
(CHEMBL4870597)Show SMILES Cc1[nH]c2c(N3CCCCC3)c(nn2c(=O)c1-c1ccc2OCOc2c1)-c1ccccc1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells assessed as S-adenosyl methionine production using L-methionine as ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01895
BindingDB Entry DOI: 10.7270/Q20R9T7P |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK3
(Homo sapiens (Human)) | BDBM50362984
(CHEMBL1945801)Show SMILES CN(C)CCCc1cc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)ccc1C(F)(F)F Show InChI InChI=1S/C24H23ClF3N5S/c1-33(2)9-3-4-14-10-17(6-8-19(14)24(26,27)28)30-23-29-13-15-11-21(34)31-20-12-16(25)5-7-18(20)22(15)32-23/h5-8,10,12-13H,3-4,9,11H2,1-2H3,(H,31,34)(H,29,30,32) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PLK3 |
J Med Chem 55: 197-208 (2012)
Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR |
More data for this
Ligand-Target Pair | |
S-adenosylmethionine synthase isoform type-2
(Human) | BDBM50604362
(CHEMBL5185760)Show SMILES CCNc1ccc2cn(-c3ccc4nn(C)cc4c3)c(=O)c(-c3ccc(Cl)cc3)c2n1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01595
BindingDB Entry DOI: 10.7270/Q28K7F57 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50362981
(CHEMBL1945171)Show SMILES CN(C)CCCc1ccc(C)c(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1 Show InChI InChI=1S/C24H26ClN5S/c1-15-6-7-16(5-4-10-30(2)3)11-20(15)28-24-26-14-17-12-22(31)27-21-13-18(25)8-9-19(21)23(17)29-24/h6-9,11,13-14H,4-5,10,12H2,1-3H3,(H,27,31)(H,26,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
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 |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of KDR |
J Med Chem 55: 197-208 (2012)
Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR |
More data for this
Ligand-Target Pair | |
S-adenosylmethionine synthase isoform type-2
(Human) | BDBM50576018
(CHEMBL4585665)Show SMILES COc1ccc(cc1)-c1c(Nc2ccon2)[nH]c2c(c(nn2c1=O)-c1ccccc1)C1=CCCCC1 |t:35| | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells assessed as S-adenosyl methionine production using L-methionine as ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01895
BindingDB Entry DOI: 10.7270/Q20R9T7P |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50362982
(CHEMBL1945170)Show SMILES CN(C)CCCc1cccc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1 Show InChI InChI=1S/C23H24ClN5S/c1-29(2)10-4-6-15-5-3-7-18(11-15)26-23-25-14-16-12-21(30)27-20-13-17(24)8-9-19(20)22(16)28-23/h3,5,7-9,11,13-14H,4,6,10,12H2,1-2H3,(H,27,30)(H,25,26,28) | PDB
MMDB
NCI pathway
Reactome pathway
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 |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of KDR |
J Med Chem 55: 197-208 (2012)
Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50362976
(CHEMBL1945803)Show SMILES CN(C)CCCc1cncc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1 Show InChI InChI=1S/C22H23ClN6S/c1-29(2)7-3-4-14-8-17(13-24-11-14)26-22-25-12-15-9-20(30)27-19-10-16(23)5-6-18(19)21(15)28-22/h5-6,8,10-13H,3-4,7,9H2,1-2H3,(H,27,30)(H,25,26,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of KDR |
J Med Chem 55: 197-208 (2012)
Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR |
More data for this
Ligand-Target Pair | |
S-adenosylmethionine synthase isoform type-2
(Human) | BDBM50576016
(CHEMBL4584451)Show SMILES CCOC(=O)n1ccc(Nc2[nH]c3c(c(nn3c(=O)c2-c2ccc(OC)cc2)-c2ccccc2)-c2ccccc2)n1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells assessed as S-adenosyl methionine production using L-methionine as ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01895
BindingDB Entry DOI: 10.7270/Q20R9T7P |
More data for this
Ligand-Target Pair | |
S-adenosylmethionine synthase isoform type-2
(Human) | BDBM50604357
(CHEMBL5177250)Show SMILES Cn1cc2cc(ccc2n1)-n1cc2ccc(NCC(F)(F)F)nc2c(-c2ccc(Cl)cc2)c1=O | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01595
BindingDB Entry DOI: 10.7270/Q28K7F57 |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 1
(Homo sapiens (Human)) | BDBM50362976
(CHEMBL1945803)Show SMILES CN(C)CCCc1cncc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1 Show InChI InChI=1S/C22H23ClN6S/c1-29(2)7-3-4-14-8-17(13-24-11-14)26-22-25-12-15-9-20(30)27-19-10-16(23)5-6-18(19)21(15)28-22/h5-6,8,10-13H,3-4,7,9H2,1-2H3,(H,27,30)(H,25,26,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of FGFR1 |
J Med Chem 55: 197-208 (2012)
Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK3
(Homo sapiens (Human)) | BDBM50362982
(CHEMBL1945170)Show SMILES CN(C)CCCc1cccc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1 Show InChI InChI=1S/C23H24ClN5S/c1-29(2)10-4-6-15-5-3-7-18(11-15)26-23-25-14-16-12-21(30)27-20-13-17(24)8-9-19(20)22(16)28-23/h3,5,7-9,11,13-14H,4,6,10,12H2,1-2H3,(H,27,30)(H,25,26,28) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PLK3 |
J Med Chem 55: 197-208 (2012)
Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 1
(Homo sapiens (Human)) | BDBM50362982
(CHEMBL1945170)Show SMILES CN(C)CCCc1cccc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1 Show InChI InChI=1S/C23H24ClN5S/c1-29(2)10-4-6-15-5-3-7-18(11-15)26-23-25-14-16-12-21(30)27-20-13-17(24)8-9-19(20)22(16)28-23/h3,5,7-9,11,13-14H,4,6,10,12H2,1-2H3,(H,27,30)(H,25,26,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of FGFR1 |
J Med Chem 55: 197-208 (2012)
Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR |
More data for this
Ligand-Target Pair | |
S-adenosylmethionine synthase isoform type-2
(Human) | BDBM50604360
(CHEMBL5187048)Show SMILES Cn1cc2cc(ccc2n1)-n1cc2ccc(OCC(F)F)nc2c(-c2ccc(Cl)cc2)c1=O | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01595
BindingDB Entry DOI: 10.7270/Q28K7F57 |
More data for this
Ligand-Target Pair | |
S-adenosylmethionine synthase isoform type-2
(Human) | BDBM50576012
(CHEMBL4559088)Show SMILES COc1ccc(cc1)-c1c(Nc2cc[nH]n2)[nH]c2c(c(nn2c1=O)-c1ccccc1)-c1ccccc1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
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| Article
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells assessed as S-adenosyl methionine production using L-methionine as ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01895
BindingDB Entry DOI: 10.7270/Q20R9T7P |
More data for this
Ligand-Target Pair | |
S-adenosylmethionine synthase isoform type-2
(Human) | BDBM50576021
(CHEMBL4573938)Show SMILES COc1ccc(cc1)-c1c(Nc2ccccn2)[nH]c2c(c(nn2c1=O)-c1ccccc1)C1=CCCCC1 |t:36| | PDB
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TBA
| Assay Description
Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells assessed as S-adenosyl methionine production using L-methionine as ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01895
BindingDB Entry DOI: 10.7270/Q20R9T7P |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
S-adenosylmethionine synthase isoform type-2
(Human) | BDBM50604356
(CHEMBL5178902)Show SMILES Cn1cc2cc(ccc2n1)-n1cc2cnc(NCC(F)(F)F)nc2c(-c2ccc(Cl)cc2)c1=O | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01595
BindingDB Entry DOI: 10.7270/Q28K7F57 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase PLK3
(Homo sapiens (Human)) | BDBM50362981
(CHEMBL1945171)Show SMILES CN(C)CCCc1ccc(C)c(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1 Show InChI InChI=1S/C24H26ClN5S/c1-15-6-7-16(5-4-10-30(2)3)11-20(15)28-24-26-14-17-12-22(31)27-21-13-18(25)8-9-19(21)23(17)29-24/h6-9,11,13-14H,4-5,10,12H2,1-3H3,(H,27,31)(H,26,28,29) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
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UniChem
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| Article
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PLK3 |
J Med Chem 55: 197-208 (2012)
Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor beta
(Homo sapiens (Human)) | BDBM50362982
(CHEMBL1945170)Show SMILES CN(C)CCCc1cccc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1 Show InChI InChI=1S/C23H24ClN5S/c1-29(2)10-4-6-15-5-3-7-18(11-15)26-23-25-14-16-12-21(30)27-20-13-17(24)8-9-19(20)22(16)28-23/h3,5,7-9,11,13-14H,4,6,10,12H2,1-2H3,(H,27,30)(H,25,26,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDGFRb |
J Med Chem 55: 197-208 (2012)
Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR |
More data for this
Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50362976
(CHEMBL1945803)Show SMILES CN(C)CCCc1cncc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1 Show InChI InChI=1S/C22H23ClN6S/c1-29(2)7-3-4-14-8-17(13-24-11-14)26-22-25-12-15-9-20(30)27-19-10-16(23)5-6-18(19)21(15)28-22/h5-6,8,10-13H,3-4,7,9H2,1-2H3,(H,27,30)(H,25,26,28) | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of KIT |
J Med Chem 55: 197-208 (2012)
Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50362986
(CHEMBL1945501)Show SMILES CN(C)CCCc1cc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)ccc1F Show InChI InChI=1S/C23H23ClFN5S/c1-30(2)9-3-4-14-10-17(6-8-19(14)25)27-23-26-13-15-11-21(31)28-20-12-16(24)5-7-18(20)22(15)29-23/h5-8,10,12-13H,3-4,9,11H2,1-2H3,(H,28,31)(H,26,27,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of KDR |
J Med Chem 55: 197-208 (2012)
Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR |
More data for this
Ligand-Target Pair | |
S-adenosylmethionine synthase isoform type-2
(Human) | BDBM50604355
(CHEMBL5207988)Show SMILES Cc1nc2ccc(cc2n1C)-n1cc2cnc(NCC(F)(F)F)nc2c(-c2ccc(Cl)cc2)c1=O | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01595
BindingDB Entry DOI: 10.7270/Q28K7F57 |
More data for this
Ligand-Target Pair | |
S-adenosylmethionine synthase isoform type-2
(Human) | BDBM50604348
(CHEMBL5170690)Show SMILES COc1ccc(cc1)-n1cc2cnc(NCC(F)(F)F)nc2c(-c2ccc(Br)cc2)c1=O | PDB
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| PDB
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| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01595
BindingDB Entry DOI: 10.7270/Q28K7F57 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
S-adenosylmethionine synthase isoform type-2
(Human) | BDBM50604361
(CHEMBL5207874)Show SMILES CCOc1ccc2cn(-c3ccc4nn(C)cc4c3)c(=O)c(-c3ccc(Cl)cc3)c2n1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01595
BindingDB Entry DOI: 10.7270/Q28K7F57 |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor beta
(Homo sapiens (Human)) | BDBM50362986
(CHEMBL1945501)Show SMILES CN(C)CCCc1cc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)ccc1F Show InChI InChI=1S/C23H23ClFN5S/c1-30(2)9-3-4-14-10-17(6-8-19(14)25)27-23-26-13-15-11-21(31)28-20-12-16(24)5-7-18(20)22(15)29-23/h5-8,10,12-13H,3-4,9,11H2,1-2H3,(H,28,31)(H,26,27,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDGFRb |
J Med Chem 55: 197-208 (2012)
Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR |
More data for this
Ligand-Target Pair | |
S-adenosylmethionine synthase isoform type-2
(Human) | BDBM50576002
(CHEMBL4590059)Show SMILES Cc1[nH]c2c(c(nn2c(=O)c1-c1ccc2ncccc2c1)-c1ccccc1)C1=CCCCC1 |t:32| | PDB
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| PC cid
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| Article
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| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells assessed as S-adenosyl methionine production using L-methionine as ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01895
BindingDB Entry DOI: 10.7270/Q20R9T7P |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor beta
(Homo sapiens (Human)) | BDBM50362976
(CHEMBL1945803)Show SMILES CN(C)CCCc1cncc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1 Show InChI InChI=1S/C22H23ClN6S/c1-29(2)7-3-4-14-8-17(13-24-11-14)26-22-25-12-15-9-20(30)27-19-10-16(23)5-6-18(19)21(15)28-22/h5-6,8,10-13H,3-4,7,9H2,1-2H3,(H,27,30)(H,25,26,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDGFRb |
J Med Chem 55: 197-208 (2012)
Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor beta
(Homo sapiens (Human)) | BDBM50362985
(CHEMBL1945502)Show SMILES COc1ccc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)cc1CCCN(C)C Show InChI InChI=1S/C24H26ClN5OS/c1-30(2)10-4-5-15-11-18(7-9-21(15)31-3)27-24-26-14-16-12-22(32)28-20-13-17(25)6-8-19(20)23(16)29-24/h6-9,11,13-14H,4-5,10,12H2,1-3H3,(H,28,32)(H,26,27,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDGFRb |
J Med Chem 55: 197-208 (2012)
Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR |
More data for this
Ligand-Target Pair | |
S-adenosylmethionine synthase isoform type-2
(Human) | BDBM50576020
(CHEMBL4529030)Show SMILES COc1ccc(cc1)-c1c(Nc2cnccn2)[nH]c2c(c(nn2c1=O)-c1ccccc1)C1=CCCCC1 |t:36| | PDB
UniProtKB/SwissProt
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells assessed as S-adenosyl methionine production using L-methionine as ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01895
BindingDB Entry DOI: 10.7270/Q20R9T7P |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50362982
(CHEMBL1945170)Show SMILES CN(C)CCCc1cccc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1 Show InChI InChI=1S/C23H24ClN5S/c1-29(2)10-4-6-15-5-3-7-18(11-15)26-23-25-14-16-12-21(30)27-20-13-17(24)8-9-19(20)22(16)28-23/h3,5,7-9,11,13-14H,4,6,10,12H2,1-2H3,(H,27,30)(H,25,26,28) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of FLT3 |
J Med Chem 55: 197-208 (2012)
Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR |
More data for this
Ligand-Target Pair | |
S-adenosylmethionine synthase isoform type-2
(Human) | BDBM50604354
(CHEMBL5185699)Show SMILES Cn1cnc2ccc(cc12)-n1cc2cnc(NCC(F)(F)F)nc2c(-c2ccc(Cl)cc2)c1=O | PDB
UniProtKB/SwissProt
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| PC cid
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| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01595
BindingDB Entry DOI: 10.7270/Q28K7F57 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase PLK3
(Homo sapiens (Human)) | BDBM50362976
(CHEMBL1945803)Show SMILES CN(C)CCCc1cncc(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1 Show InChI InChI=1S/C22H23ClN6S/c1-29(2)7-3-4-14-8-17(13-24-11-14)26-22-25-12-15-9-20(30)27-19-10-16(23)5-6-18(19)21(15)28-22/h5-6,8,10-13H,3-4,7,9H2,1-2H3,(H,27,30)(H,25,26,28) | PDB
NCI pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PLK3 |
J Med Chem 55: 197-208 (2012)
Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR |
More data for this
Ligand-Target Pair | |
S-adenosylmethionine synthase isoform type-2
(Human) | BDBM50604359
(CHEMBL5206988)Show SMILES Cn1cc2cc(ccc2n1)-n1cc2ccc(OCC(F)(F)F)nc2c(-c2ccc(Cl)cc2)c1=O | PDB
UniProtKB/SwissProt
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| PC cid
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| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01595
BindingDB Entry DOI: 10.7270/Q28K7F57 |
More data for this
Ligand-Target Pair | |
S-adenosylmethionine synthase isoform type-2
(Human) | BDBM50576000
(CHEMBL4587880)Show SMILES Cc1[nH]c2c(c(nn2c(=O)c1-c1ccc(O)cc1)-c1ccccc1)-c1ccccc1 | PDB
UniProtKB/SwissProt
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| Article
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| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells assessed as S-adenosyl methionine production using L-methionine as ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01895
BindingDB Entry DOI: 10.7270/Q20R9T7P |
More data for this
Ligand-Target Pair | |
S-adenosylmethionine synthase isoform type-2
(Human) | BDBM50604348
(CHEMBL5170690)Show SMILES COc1ccc(cc1)-n1cc2cnc(NCC(F)(F)F)nc2c(-c2ccc(Br)cc2)c1=O | PDB
UniProtKB/SwissProt
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| PDB
Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01595
BindingDB Entry DOI: 10.7270/Q28K7F57 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
S-adenosylmethionine synthase isoform type-2
(Human) | BDBM50604347
(CHEMBL5206904)Show SMILES CCNc1ncc2cn(-c3ccc(OC)cc3)c(=O)c(-c3ccc(Br)cc3)c2n1 | PDB
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| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01595
BindingDB Entry DOI: 10.7270/Q28K7F57 |
More data for this
Ligand-Target Pair | |
S-adenosylmethionine synthase isoform type-2
(Human) | BDBM50575997
(CHEMBL4549681)Show SMILES Cc1[nH]c2c(N3CCCCC3)c(nn2c(=O)c1-c1ccc2[nH]cnc2c1)-c1ccccc1 | PDB
UniProtKB/SwissProt
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PC sid
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| Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant human MAT2A expressed in baculovirus infected Sf9 cells assessed as S-adenosyl methionine production using L-methionine as ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01895
BindingDB Entry DOI: 10.7270/Q20R9T7P |
More data for this
Ligand-Target Pair | |
S-adenosylmethionine synthase isoform type-2
(Human) | BDBM50604353
(CHEMBL5183776)Show SMILES FC(F)(F)CNc1ncc2cn(-c3ccc4ncccc4c3)c(=O)c(-c3ccc(Br)cc3)c2n1 | PDB
UniProtKB/SwissProt
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| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01595
BindingDB Entry DOI: 10.7270/Q28K7F57 |
More data for this
Ligand-Target Pair | |
S-adenosylmethionine synthase isoform type-2
(Human) | BDBM50604346
(CHEMBL5176577)Show SMILES CCCNc1ncc2cn(-c3ccc(OC)cc3)c(=O)c(-c3ccc(Br)cc3)c2n1 | PDB
UniProtKB/SwissProt
GoogleScholar
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| PC cid
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PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01595
BindingDB Entry DOI: 10.7270/Q28K7F57 |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor beta
(Homo sapiens (Human)) | BDBM50362981
(CHEMBL1945171)Show SMILES CN(C)CCCc1ccc(C)c(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1 Show InChI InChI=1S/C24H26ClN5S/c1-15-6-7-16(5-4-10-30(2)3)11-20(15)28-24-26-14-17-12-22(31)27-21-13-18(25)8-9-19(21)23(17)29-24/h6-9,11,13-14H,4-5,10,12H2,1-3H3,(H,27,31)(H,26,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDGFRb |
J Med Chem 55: 197-208 (2012)
Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor beta
(Homo sapiens (Human)) | BDBM50362983
(CHEMBL1945804)Show SMILES CN(C)CCCc1cnc(C)c(Nc2ncc3CC(=S)Nc4cc(Cl)ccc4-c3n2)c1 Show InChI InChI=1S/C23H25ClN6S/c1-14-19(9-15(12-25-14)5-4-8-30(2)3)28-23-26-13-16-10-21(31)27-20-11-17(24)6-7-18(20)22(16)29-23/h6-7,9,11-13H,4-5,8,10H2,1-3H3,(H,27,31)(H,26,28,29) | PDB
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Reactome pathway
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| Article
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| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PDGFRb |
J Med Chem 55: 197-208 (2012)
Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR |
More data for this
Ligand-Target Pair | |
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