Found 270 hits with Last Name = 'marcotte' and Initial = 'dj' 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 |
|---|
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50579557
(CHEMBL4868362)Show SMILES COc1nn(C)cc1C(=O)Nc1cccc(n1)-c1nncn1C1(CC1)C(F)(F)F | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ASK1 (unknown origin) using myelin basic protein as substrate preincubated for 20 mins followed by 33P-ATP addition and measured after ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01458
BindingDB Entry DOI: 10.7270/Q27D2ZZT |
More data for this
Ligand-Target Pair | |
Tau-tubulin kinase 2
(Homo sapiens (Human)) | BDBM50609151
(CHEMBL5283456) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Tau-tubulin kinase 2
(Homo sapiens (Human)) | BDBM50609159
(CHEMBL5280210) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50538435
(CHEMBL4634900)Show SMILES COc1nn(cc1C(=O)Nc1cccc(n1)-c1nncn1C(C)C)-c1cncc(c1)N(C)C Show InChI InChI=1S/C22H25N9O2/c1-14(2)30-13-24-27-20(30)18-7-6-8-19(25-18)26-21(32)17-12-31(28-22(17)33-5)16-9-15(29(3)4)10-23-11-16/h6-14H,1-5H3,(H,25,26,32) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inhibition of human ASK1 using myelin basic protein substrate preincubated for 20 mins before [33P]-ATP addition and measured after 2 hrs by filter-b... |
ACS Med Chem Lett 11: 485-490 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00611
BindingDB Entry DOI: 10.7270/Q27084XK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50579563
(CHEMBL4850048)Show SMILES COCCn1cc(C(=O)Nc2cccc(n2)-c2nncn2[C@@H](C)C(F)(F)F)c(OC)n1 |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ASK1 (unknown origin) using myelin basic protein as substrate preincubated for 20 mins followed by 33P-ATP addition and measured after ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01458
BindingDB Entry DOI: 10.7270/Q27D2ZZT |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50384169
(CHEMBL2029912)Show SMILES CC(C)CCn1cc(cn1)-c1cc2cnc(Nc3cc(C(=O)N4CCN(C)CC4)n(C)c3)nc2n1C1CCCC1 Show InChI InChI=1S/C30H41N9O/c1-21(2)9-10-38-19-23(18-32-38)26-15-22-17-31-30(34-28(22)39(26)25-7-5-6-8-25)33-24-16-27(36(4)20-24)29(40)37-13-11-35(3)12-14-37/h15-21,25H,5-14H2,1-4H3,(H,31,33,34) | 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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description
Inhibition of aurora A kinase |
Bioorg Med Chem Lett 22: 4033-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.085
BindingDB Entry DOI: 10.7270/Q24X58VK |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50384168
(CHEMBL2029911)Show SMILES CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(-c4cnn(C)c4C)n(C4CCCC4)c3n2)cn1C Show InChI InChI=1S/C27H35N9O/c1-18-22(16-29-34(18)4)23-13-19-15-28-27(31-25(19)36(23)21-7-5-6-8-21)30-20-14-24(33(3)17-20)26(37)35-11-9-32(2)10-12-35/h13-17,21H,5-12H2,1-4H3,(H,28,30,31) | 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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description
Inhibition of aurora A kinase |
Bioorg Med Chem Lett 22: 4033-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.085
BindingDB Entry DOI: 10.7270/Q24X58VK |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50384167
(CHEMBL2029910)Show SMILES CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(-c4cncn4C)n(C4CCCC4)c3n2)cn1C Show InChI InChI=1S/C26H33N9O/c1-31-8-10-34(11-9-31)25(36)22-13-19(16-32(22)2)29-26-28-14-18-12-21(23-15-27-17-33(23)3)35(24(18)30-26)20-6-4-5-7-20/h12-17,20H,4-11H2,1-3H3,(H,28,29,30) | 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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description
Inhibition of aurora A kinase |
Bioorg Med Chem Lett 22: 4033-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.085
BindingDB Entry DOI: 10.7270/Q24X58VK |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50384166
(CHEMBL2029909)Show SMILES CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(-c4cnn(C)c4)n(C4CCCC4)c3n2)cn1C Show InChI InChI=1S/C26H33N9O/c1-31-8-10-34(11-9-31)25(36)23-13-20(17-32(23)2)29-26-27-14-18-12-22(19-15-28-33(3)16-19)35(24(18)30-26)21-6-4-5-7-21/h12-17,21H,4-11H2,1-3H3,(H,27,29,30) | 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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description
Inhibition of aurora A kinase |
Bioorg Med Chem Lett 22: 4033-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.085
BindingDB Entry DOI: 10.7270/Q24X58VK |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50384165
(CHEMBL2029908)Show SMILES CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(-c4cnco4)n(C4CCCC4)c3n2)cn1C Show InChI InChI=1S/C25H30N8O2/c1-30-7-9-32(10-8-30)24(34)21-12-18(15-31(21)2)28-25-27-13-17-11-20(22-14-26-16-35-22)33(23(17)29-25)19-5-3-4-6-19/h11-16,19H,3-10H2,1-2H3,(H,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description
Inhibition of aurora A kinase |
Bioorg Med Chem Lett 22: 4033-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.085
BindingDB Entry DOI: 10.7270/Q24X58VK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50579568
(CHEMBL4875364)Show SMILES C[C@H](n1cnnc1-c1cccc(NC(=O)c2cccc3cccnc23)n1)C(F)(F)F |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ASK1 (unknown origin) using myelin basic protein as substrate preincubated for 20 mins followed by 33P-ATP addition and measured after ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01458
BindingDB Entry DOI: 10.7270/Q27D2ZZT |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50384171
(CHEMBL2029914)Show SMILES CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(-c4cnn(Cc5ccccc5)c4)n(C4CCCC4)c3n2)cn1C Show InChI InChI=1S/C32H37N9O/c1-37-12-14-39(15-13-37)31(42)29-17-26(22-38(29)2)35-32-33-18-24-16-28(41(30(24)36-32)27-10-6-7-11-27)25-19-34-40(21-25)20-23-8-4-3-5-9-23/h3-5,8-9,16-19,21-22,27H,6-7,10-15,20H2,1-2H3,(H,33,35,36) | 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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description
Inhibition of aurora A kinase |
Bioorg Med Chem Lett 22: 4033-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.085
BindingDB Entry DOI: 10.7270/Q24X58VK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50579561
(CHEMBL4871543)Show SMILES COc1nn(CC2CC2)cc1C(=O)Nc1cccc(n1)-c1nncn1[C@@H](C)C(F)(F)F |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ASK1 (unknown origin) using myelin basic protein as substrate preincubated for 20 mins followed by 33P-ATP addition and measured after ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01458
BindingDB Entry DOI: 10.7270/Q27D2ZZT |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50579560
(CHEMBL4857751)Show SMILES CCn1cc(C(=O)Nc2cccc(n2)-c2nncn2[C@@H](C)C(F)(F)F)c(OC)n1 |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ASK1 (unknown origin) using myelin basic protein as substrate preincubated for 20 mins followed by 33P-ATP addition and measured after ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01458
BindingDB Entry DOI: 10.7270/Q27D2ZZT |
More data for this
Ligand-Target Pair | |
Tau-tubulin kinase 1
(Homo sapiens (Human)) | BDBM50609151
(CHEMBL5283456) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Tau-tubulin kinase 1
(Homo sapiens (Human)) | BDBM50609143
(CHEMBL5268795) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50538427
(CHEMBL4641666)Show InChI InChI=1S/C17H20N6O2/c1-11(2)23-10-18-8-14(23)13-6-5-7-15(19-13)20-16(24)12-9-22(3)21-17(12)25-4/h5-11H,1-4H3,(H,19,20,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inhibition of human ASK1 using myelin basic protein substrate preincubated for 20 mins before [33P]-ATP addition and measured after 2 hrs by filter-b... |
ACS Med Chem Lett 11: 485-490 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00611
BindingDB Entry DOI: 10.7270/Q27084XK |
More data for this
Ligand-Target Pair | |
Tau-tubulin kinase 1
(Homo sapiens (Human)) | BDBM50609159
(CHEMBL5280210) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Tau-tubulin kinase 1
(Homo sapiens (Human)) | BDBM50609138
(CHEMBL5272364) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50579569
(CHEMBL4877113)Show SMILES C[C@H](n1cnnc1-c1cccc(NC(=O)c2cccc3nccnc23)n1)C(F)(F)F |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ASK1 (unknown origin) using myelin basic protein as substrate preincubated for 20 mins followed by 33P-ATP addition and measured after ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01458
BindingDB Entry DOI: 10.7270/Q27D2ZZT |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50579553
(CHEMBL4860819)Show SMILES COc1nn(C)cc1C(=O)Nc1cccc(n1)-c1nncn1[C@@H](C)C(F)(F)F |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ASK1 (unknown origin) using myelin basic protein as substrate preincubated for 20 mins followed by 33P-ATP addition and measured after ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01458
BindingDB Entry DOI: 10.7270/Q27D2ZZT |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50579562
(CHEMBL4862258)Show SMILES COc1nn(CC(F)(F)F)cc1C(=O)Nc1cccc(n1)-c1nncn1[C@@H](C)C(F)(F)F |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ASK1 (unknown origin) using myelin basic protein as substrate preincubated for 20 mins followed by 33P-ATP addition and measured after ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01458
BindingDB Entry DOI: 10.7270/Q27D2ZZT |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50579572
(CHEMBL4853505)Show SMILES COc1ncc(C)cc1C(=O)Nc1cccc(n1)-c1nncn1[C@@H](C)C(F)(F)F |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ASK1 (unknown origin) using myelin basic protein as substrate preincubated for 20 mins followed by 33P-ATP addition and measured after ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01458
BindingDB Entry DOI: 10.7270/Q27D2ZZT |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50579566
(CHEMBL4861953)Show SMILES COc1ccccc1C(=O)Nc1cccc(n1)-c1nncn1[C@@H](C)C(F)(F)F |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ASK1 (unknown origin) using myelin basic protein as substrate preincubated for 20 mins followed by 33P-ATP addition and measured after ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01458
BindingDB Entry DOI: 10.7270/Q27D2ZZT |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50579565
(CHEMBL4862847)Show SMILES COc1nn(cc1C(=O)Nc1cccc(n1)-c1nncn1[C@@H](C)C(F)(F)F)-c1cccnn1 |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ASK1 (unknown origin) using myelin basic protein as substrate preincubated for 20 mins followed by 33P-ATP addition and measured after ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01458
BindingDB Entry DOI: 10.7270/Q27D2ZZT |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50579564
(CHEMBL4866921)Show SMILES COc1nn(cc1C(=O)Nc1cccc(n1)-c1nncn1[C@@H](C)C(F)(F)F)-c1cnccn1 |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of ASK1 (unknown origin) using myelin basic protein as substrate preincubated for 20 mins followed by 33P-ATP addition and measured after ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01458
BindingDB Entry DOI: 10.7270/Q27D2ZZT |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50384172
(CHEMBL2029900)Show SMILES CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(CN=O)n(C4CCCC4)c3n2)cn1C Show InChI InChI=1S/C23H30N8O2/c1-28-7-9-30(10-8-28)22(32)20-12-17(15-29(20)2)26-23-24-13-16-11-19(14-25-33)31(21(16)27-23)18-5-3-4-6-18/h11-13,15,18H,3-10,14H2,1-2H3,(H,24,26,27) | PDB
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Biogen Idec Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CDK1 |
Bioorg Med Chem Lett 22: 4033-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.085
BindingDB Entry DOI: 10.7270/Q24X58VK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50538424
(CHEMBL4643577)Show InChI InChI=1S/C16H19N7O2/c1-10(2)23-9-17-20-14(23)12-6-5-7-13(18-12)19-15(24)11-8-22(3)21-16(11)25-4/h5-10H,1-4H3,(H,18,19,24) | PDB
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| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inhibition of human ASK1 using myelin basic protein substrate preincubated for 20 mins before [33P]-ATP addition and measured after 2 hrs by filter-b... |
ACS Med Chem Lett 11: 485-490 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00611
BindingDB Entry DOI: 10.7270/Q27084XK |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50384168
(CHEMBL2029911)Show SMILES CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(-c4cnn(C)c4C)n(C4CCCC4)c3n2)cn1C Show InChI InChI=1S/C27H35N9O/c1-18-22(16-29-34(18)4)23-13-19-15-28-27(31-25(19)36(23)21-7-5-6-8-21)30-20-14-24(33(3)17-20)26(37)35-11-9-32(2)10-12-35/h13-17,21H,5-12H2,1-4H3,(H,28,30,31) | PDB
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Biogen Idec Inc.
Curated by ChEMBL
| Assay Description
Inhibition of aurora B kinase |
Bioorg Med Chem Lett 22: 4033-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.085
BindingDB Entry DOI: 10.7270/Q24X58VK |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50384166
(CHEMBL2029909)Show SMILES CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(-c4cnn(C)c4)n(C4CCCC4)c3n2)cn1C Show InChI InChI=1S/C26H33N9O/c1-31-8-10-34(11-9-31)25(36)23-13-20(17-32(23)2)29-26-27-14-18-12-22(19-15-28-33(3)16-19)35(24(18)30-26)21-6-4-5-7-21/h12-17,21H,4-11H2,1-3H3,(H,27,29,30) | PDB
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Biogen Idec Inc.
Curated by ChEMBL
| Assay Description
Inhibition of aurora B kinase |
Bioorg Med Chem Lett 22: 4033-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.085
BindingDB Entry DOI: 10.7270/Q24X58VK |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50384165
(CHEMBL2029908)Show SMILES CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(-c4cnco4)n(C4CCCC4)c3n2)cn1C Show InChI InChI=1S/C25H30N8O2/c1-30-7-9-32(10-8-30)24(34)21-12-18(15-31(21)2)28-25-27-13-17-11-20(22-14-26-16-35-22)33(23(17)29-25)19-5-3-4-6-19/h11-16,19H,3-10H2,1-2H3,(H,27,28,29) | PDB
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Biogen Idec Inc.
Curated by ChEMBL
| Assay Description
Inhibition of aurora B kinase |
Bioorg Med Chem Lett 22: 4033-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.085
BindingDB Entry DOI: 10.7270/Q24X58VK |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50384169
(CHEMBL2029912)Show SMILES CC(C)CCn1cc(cn1)-c1cc2cnc(Nc3cc(C(=O)N4CCN(C)CC4)n(C)c3)nc2n1C1CCCC1 Show InChI InChI=1S/C30H41N9O/c1-21(2)9-10-38-19-23(18-32-38)26-15-22-17-31-30(34-28(22)39(26)25-7-5-6-8-25)33-24-16-27(36(4)20-24)29(40)37-13-11-35(3)12-14-37/h15-21,25H,5-14H2,1-4H3,(H,31,33,34) | PDB
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Biogen Idec Inc.
Curated by ChEMBL
| Assay Description
Inhibition of aurora B kinase |
Bioorg Med Chem Lett 22: 4033-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.085
BindingDB Entry DOI: 10.7270/Q24X58VK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50505951
(CHEMBL4569388 | US11168095, Example 21)Show SMILES Cc1cn(cn1)-c1ccc2OCCCCn3cnnc3-c3cccc(NC(=O)c2c1)n3 Show InChI InChI=1S/C22H21N7O2/c1-15-12-29(13-23-15)16-7-8-19-17(11-16)22(30)26-20-6-4-5-18(25-20)21-27-24-14-28(21)9-2-3-10-31-19/h4-8,11-14H,2-3,9-10H2,1H3,(H,25,26,30) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of human ASK1 using myelin basic protein substrate pre-incubated for 20 mins before [33P]-ATP addition and measured after 2 hrs by filter-... |
J Med Chem 62: 10740-10756 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01206
BindingDB Entry DOI: 10.7270/Q2DF6VH5 |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50384171
(CHEMBL2029914)Show SMILES CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(-c4cnn(Cc5ccccc5)c4)n(C4CCCC4)c3n2)cn1C Show InChI InChI=1S/C32H37N9O/c1-37-12-14-39(15-13-37)31(42)29-17-26(22-38(29)2)35-32-33-18-24-16-28(41(30(24)36-32)27-10-6-7-11-27)25-19-34-40(21-25)20-23-8-4-3-5-9-23/h3-5,8-9,16-19,21-22,27H,6-7,10-15,20H2,1-2H3,(H,33,35,36) | PDB
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Biogen Idec Inc.
Curated by ChEMBL
| Assay Description
Inhibition of aurora B kinase |
Bioorg Med Chem Lett 22: 4033-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.085
BindingDB Entry DOI: 10.7270/Q24X58VK |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50384170
(CHEMBL2029913)Show SMILES CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(-c4ccnn4C)n(C4CCCC4)c3n2)cn1C Show InChI InChI=1S/C26H33N9O/c1-31-10-12-34(13-11-31)25(36)23-15-19(17-32(23)2)29-26-27-16-18-14-22(21-8-9-28-33(21)3)35(24(18)30-26)20-6-4-5-7-20/h8-9,14-17,20H,4-7,10-13H2,1-3H3,(H,27,29,30) | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description
Inhibition of aurora B kinase |
Bioorg Med Chem Lett 22: 4033-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.085
BindingDB Entry DOI: 10.7270/Q24X58VK |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50384173
(CHEMBL2029901)Show SMILES CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(C#N)n(C4CCCC4)c3n2)cn1C Show InChI InChI=1S/C23H28N8O/c1-28-7-9-30(10-8-28)22(32)20-12-17(15-29(20)2)26-23-25-14-16-11-19(13-24)31(21(16)27-23)18-5-3-4-6-18/h11-12,14-15,18H,3-10H2,1-2H3,(H,25,26,27) | PDB
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Biogen Idec Inc.
Curated by ChEMBL
| Assay Description
Inhibition of aurora B kinase |
Bioorg Med Chem Lett 22: 4033-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.085
BindingDB Entry DOI: 10.7270/Q24X58VK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50505937
(CHEMBL4514925 | US11168095, Example 91)Show SMILES C[C@H]1CCCOc2ccccc2C(=O)Nc2cccc(n2)-c2nncn12 |r| Show InChI InChI=1S/C19H19N5O2/c1-13-6-5-11-26-16-9-3-2-7-14(16)19(25)22-17-10-4-8-15(21-17)18-23-20-12-24(13)18/h2-4,7-10,12-13H,5-6,11H2,1H3,(H,21,22,25)/t13-/m0/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of human ASK1 using myelin basic protein substrate pre-incubated for 20 mins before [33P]-ATP addition and measured after 2 hrs by filter-... |
J Med Chem 62: 10740-10756 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01206
BindingDB Entry DOI: 10.7270/Q2DF6VH5 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50538428
(CHEMBL4640063)Show SMILES CCn1cc(C(=O)Nc2cccc(n2)-c2nncn2C(C)C)c(OC)n1 Show InChI InChI=1S/C17H21N7O2/c1-5-23-9-12(17(22-23)26-4)16(25)20-14-8-6-7-13(19-14)15-21-18-10-24(15)11(2)3/h6-11H,5H2,1-4H3,(H,19,20,25) | PDB
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| n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen
Curated by ChEMBL
| Assay Description
Inhibition of human ASK1 using myelin basic protein substrate preincubated for 20 mins before [33P]-ATP addition and measured after 2 hrs by filter-b... |
ACS Med Chem Lett 11: 485-490 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00611
BindingDB Entry DOI: 10.7270/Q27084XK |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50384167
(CHEMBL2029910)Show SMILES CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(-c4cncn4C)n(C4CCCC4)c3n2)cn1C Show InChI InChI=1S/C26H33N9O/c1-31-8-10-34(11-9-31)25(36)22-13-19(16-32(22)2)29-26-28-14-18-12-21(23-15-27-17-33(23)3)35(24(18)30-26)20-6-4-5-7-20/h12-17,20H,4-11H2,1-3H3,(H,28,29,30) | PDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Biogen Idec Inc.
Curated by ChEMBL
| Assay Description
Inhibition of aurora B kinase |
Bioorg Med Chem Lett 22: 4033-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.085
BindingDB Entry DOI: 10.7270/Q24X58VK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50505952
(CHEMBL4475667 | US11034671, Example 48 | US1116809...)Show SMILES Cn1cc(cn1)-c1ccc2OCCCCn3cnnc3-c3cccc(NC(=O)c2c1)n3 Show InChI InChI=1S/C22H21N7O2/c1-28-13-16(12-24-28)15-7-8-19-17(11-15)22(30)26-20-6-4-5-18(25-20)21-27-23-14-29(21)9-2-3-10-31-19/h4-8,11-14H,2-3,9-10H2,1H3,(H,25,26,30) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of human ASK1 using myelin basic protein substrate pre-incubated for 20 mins before [33P]-ATP addition and measured after 2 hrs by filter-... |
J Med Chem 62: 10740-10756 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01206
BindingDB Entry DOI: 10.7270/Q2DF6VH5 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50384170
(CHEMBL2029913)Show SMILES CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(-c4ccnn4C)n(C4CCCC4)c3n2)cn1C Show InChI InChI=1S/C26H33N9O/c1-31-10-12-34(13-11-31)25(36)23-15-19(17-32(23)2)29-26-27-16-18-14-22(21-8-9-28-33(21)3)35(24(18)30-26)20-6-4-5-7-20/h8-9,14-17,20H,4-7,10-13H2,1-3H3,(H,27,29,30) | PDB
MMDB
NCI pathway
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Biogen Idec Inc.
Curated by ChEMBL
| Assay Description
Inhibition of aurora A kinase |
Bioorg Med Chem Lett 22: 4033-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.085
BindingDB Entry DOI: 10.7270/Q24X58VK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50579559
(CHEMBL4876558)Show SMILES COc1nn(C)cc1C(=O)Nc1cccc(n1)-c1nncn1C1CCC1(F)F | PDB
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TBA
| Assay Description
Inhibition of ASK1 (unknown origin) using myelin basic protein as substrate preincubated for 20 mins followed by 33P-ATP addition and measured after ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01458
BindingDB Entry DOI: 10.7270/Q27D2ZZT |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50579551
(CHEMBL4860731)Show SMILES COc1nn(C)cc1C(=O)Nc1cccc(n1)-c1nncn1[C@@H]1CCOC1 |r| | PDB
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TBA
| Assay Description
Inhibition of ASK1 (unknown origin) using myelin basic protein as substrate preincubated for 20 mins followed by 33P-ATP addition and measured after ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01458
BindingDB Entry DOI: 10.7270/Q27D2ZZT |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50538433
(CHEMBL4633993)Show SMILES COc1nn(cc1C(=O)Nc1cccc(n1)-c1nncn1C(C)C)-c1cccnc1 Show InChI InChI=1S/C20H20N8O2/c1-13(2)27-12-22-25-18(27)16-7-4-8-17(23-16)24-19(29)15-11-28(26-20(15)30-3)14-6-5-9-21-10-14/h4-13H,1-3H3,(H,23,24,29) | PDB
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Biogen
Curated by ChEMBL
| Assay Description
Inhibition of human ASK1 using myelin basic protein substrate preincubated for 20 mins before [33P]-ATP addition and measured after 2 hrs by filter-b... |
ACS Med Chem Lett 11: 485-490 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00611
BindingDB Entry DOI: 10.7270/Q27084XK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50212258
(GS-4997 | Selonsertib)Show SMILES CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(c(C)cc2F)-n2cnc(c2)C2CC2)n1 Show InChI InChI=1S/C24H24FN7O/c1-14(2)32-13-27-30-23(32)19-5-4-6-22(28-19)29-24(33)17-10-21(15(3)9-18(17)25)31-11-20(26-12-31)16-7-8-16/h4-6,9-14,16H,7-8H2,1-3H3,(H,28,29,33) | PDB
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Biogen
Curated by ChEMBL
| Assay Description
Inhibition of human ASK1 using myelin basic protein substrate preincubated for 20 mins before [33P]-ATP addition and measured after 2 hrs by filter-b... |
ACS Med Chem Lett 11: 485-490 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00611
BindingDB Entry DOI: 10.7270/Q27084XK |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50538434
(CHEMBL4642251)Show SMILES COc1nn(cc1C(=O)Nc1cccc(n1)-c1nncn1C(C)C)-c1cncc(c1)C1CC1 Show InChI InChI=1S/C23H24N8O2/c1-14(2)30-13-25-28-21(30)19-5-4-6-20(26-19)27-22(32)18-12-31(29-23(18)33-3)17-9-16(10-24-11-17)15-7-8-15/h4-6,9-15H,7-8H2,1-3H3,(H,26,27,32) | PDB
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Biogen
Curated by ChEMBL
| Assay Description
Inhibition of human ASK1 using myelin basic protein substrate preincubated for 20 mins before [33P]-ATP addition and measured after 2 hrs by filter-b... |
ACS Med Chem Lett 11: 485-490 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00611
BindingDB Entry DOI: 10.7270/Q27084XK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50212258
(GS-4997 | Selonsertib)Show SMILES CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(c(C)cc2F)-n2cnc(c2)C2CC2)n1 Show InChI InChI=1S/C24H24FN7O/c1-14(2)32-13-27-30-23(32)19-5-4-6-22(28-19)29-24(33)17-10-21(15(3)9-18(17)25)31-11-20(26-12-31)16-7-8-16/h4-6,9-14,16H,7-8H2,1-3H3,(H,28,29,33) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of human ASK1 using myelin basic protein substrate pre-incubated for 20 mins before [33P]-ATP addition and measured after 2 hrs by filter-... |
J Med Chem 62: 10740-10756 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01206
BindingDB Entry DOI: 10.7270/Q2DF6VH5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50538424
(CHEMBL4643577)Show InChI InChI=1S/C16H19N7O2/c1-10(2)23-9-17-20-14(23)12-6-5-7-13(18-12)19-15(24)11-8-22(3)21-16(11)25-4/h5-10H,1-4H3,(H,18,19,24) | PDB
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TBA
| Assay Description
Inhibition of ASK1 (unknown origin) using myelin basic protein as substrate preincubated for 20 mins followed by 33P-ATP addition and measured after ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01458
BindingDB Entry DOI: 10.7270/Q27D2ZZT |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50384173
(CHEMBL2029901)Show SMILES CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(C#N)n(C4CCCC4)c3n2)cn1C Show InChI InChI=1S/C23H28N8O/c1-28-7-9-30(10-8-28)22(32)20-12-17(15-29(20)2)26-23-25-14-16-11-19(13-24)31(21(16)27-23)18-5-3-4-6-18/h11-12,14-15,18H,3-10H2,1-2H3,(H,25,26,27) | PDB
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Biogen Idec Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CDK1 |
Bioorg Med Chem Lett 22: 4033-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.085
BindingDB Entry DOI: 10.7270/Q24X58VK |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50505960
(CHEMBL4456722 | US11168095, Example 39)Show SMILES CN(C)CCn1cc(cn1)-c1ccc2OCCCCn3cnnc3-c3cccc(NC(=O)c2c1)n3 Show InChI InChI=1S/C25H28N8O2/c1-31(2)11-12-33-16-19(15-27-33)18-8-9-22-20(14-18)25(34)29-23-7-5-6-21(28-23)24-30-26-17-32(24)10-3-4-13-35-22/h5-9,14-17H,3-4,10-13H2,1-2H3,(H,28,29,34) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of human ASK1 using myelin basic protein substrate pre-incubated for 20 mins before [33P]-ATP addition and measured after 2 hrs by filter-... |
J Med Chem 62: 10740-10756 (2019)
Article DOI: 10.1021/acs.jmedchem.9b01206
BindingDB Entry DOI: 10.7270/Q2DF6VH5 |
More data for this
Ligand-Target Pair | |
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