Found 36 hits of Enzyme Inhibition Constant Data 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)) | 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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| PDB
Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ASK1 (unknown origin) using biotin-MBP as substrate after 20 mins by TR-FRET assay |
Bioorg Med Chem Lett 27: 1709-1713 (2017)
Article DOI: 10.1016/j.bmcl.2017.02.079
BindingDB Entry DOI: 10.7270/Q2J38VV6 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50212285
(CHEMBL3891901)Show InChI InChI=1S/C18H18FN5O/c1-11(2)24-10-20-23-17(24)15-5-4-6-16(21-15)22-18(25)13-8-7-12(3)9-14(13)19/h4-11H,1-3H3,(H,21,22,25) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ASK1 (unknown origin) using biotin-MBP as substrate after 20 mins by TR-FRET assay |
Bioorg Med Chem Lett 27: 1709-1713 (2017)
Article DOI: 10.1016/j.bmcl.2017.02.079
BindingDB Entry DOI: 10.7270/Q2J38VV6 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50237288
(CHEMBL4073198)Show InChI InChI=1S/C15H19N7O2S/c1-10(2)22-9-16-20-13(22)15-19-12(8-25-15)14(23)18-11-6-17-21(7-11)4-5-24-3/h6-10H,4-5H2,1-3H3,(H,18,23) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibition of porcine Dipeptidylpeptidase II. |
Bioorg Med Chem Lett 27: 1709-1713 (2017)
Article DOI: 10.1016/j.bmcl.2017.02.079
BindingDB Entry DOI: 10.7270/Q2J38VV6 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50334268
(CHEMBL1642655 | CHEMBL2205637 | N-(6-(1H-imidazol-...)Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-n1ccnc1 Show InChI InChI=1S/C21H21N5O/c1-21(2,3)16-6-4-15(5-7-16)20(27)24-18-13-26-12-17(8-9-19(26)23-18)25-11-10-22-14-25/h4-14H,1-3H3,(H,24,27) | PDB
MMDB
NCI pathway
Reactome pathway
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| n/a | n/a | 155 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibition of porcine Dipeptidylpeptidase II. |
Bioorg Med Chem Lett 27: 1709-1713 (2017)
Article DOI: 10.1016/j.bmcl.2017.02.079
BindingDB Entry DOI: 10.7270/Q2J38VV6 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50237296
(CHEMBL4105386)Show InChI InChI=1S/C14H14N6OS/c1-9(2)20-8-16-19-12(20)14-17-10(7-22-14)13(21)18-11-5-3-4-6-15-11/h3-9H,1-2H3,(H,15,18,21) | PDB
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| CHEMBL
PC cid
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PDB
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| PDB
Article
PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ASK1 (unknown origin) using biotin-MBP as substrate after 20 mins by TR-FRET assay |
Bioorg Med Chem Lett 27: 1709-1713 (2017)
Article DOI: 10.1016/j.bmcl.2017.02.079
BindingDB Entry DOI: 10.7270/Q2J38VV6 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50237288
(CHEMBL4073198)Show InChI InChI=1S/C15H19N7O2S/c1-10(2)22-9-16-20-13(22)15-19-12(8-25-15)14(23)18-11-6-17-21(7-11)4-5-24-3/h6-10H,4-5H2,1-3H3,(H,18,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
PC cid
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UniChem
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| Article
PubMed
| n/a | n/a | 457 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length human His-tagged GSK3B expressed in baculovirus expression system |
Bioorg Med Chem Lett 27: 1709-1713 (2017)
Article DOI: 10.1016/j.bmcl.2017.02.079
BindingDB Entry DOI: 10.7270/Q2J38VV6 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50237290
(CHEMBL4084596)Show InChI InChI=1S/C14H17N7OS/c1-4-20-6-10(5-16-20)17-13(22)11-7-23-14(18-11)12-19-15-8-21(12)9(2)3/h5-9H,4H2,1-3H3,(H,17,22) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibition of human Dipeptidylpeptidase IV. |
Bioorg Med Chem Lett 27: 1709-1713 (2017)
Article DOI: 10.1016/j.bmcl.2017.02.079
BindingDB Entry DOI: 10.7270/Q2J38VV6 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50237288
(CHEMBL4073198)Show InChI InChI=1S/C15H19N7O2S/c1-10(2)22-9-16-20-13(22)15-19-12(8-25-15)14(23)18-11-6-17-21(7-11)4-5-24-3/h6-10H,4-5H2,1-3H3,(H,18,23) | PDB
MMDB
KEGG
UniProtKB/SwissProt
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 617 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human GST-tagged RET cytoplasmic domain expressed in baculovirus expression system |
Bioorg Med Chem Lett 27: 1709-1713 (2017)
Article DOI: 10.1016/j.bmcl.2017.02.079
BindingDB Entry DOI: 10.7270/Q2J38VV6 |
More data for this
Ligand-Target Pair | |
5'-AMP-activated protein kinase catalytic subunit alpha-1
(Homo sapiens (Human)) | BDBM50237288
(CHEMBL4073198)Show InChI InChI=1S/C15H19N7O2S/c1-10(2)22-9-16-20-13(22)15-19-12(8-25-15)14(23)18-11-6-17-21(7-11)4-5-24-3/h6-10H,4-5H2,1-3H3,(H,18,23) | PDB
UniProtKB/SwissProt
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| CHEMBL
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| Article
PubMed
| n/a | n/a | 794 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PRKAA1 (unknown origin) |
Bioorg Med Chem Lett 27: 1709-1713 (2017)
Article DOI: 10.1016/j.bmcl.2017.02.079
BindingDB Entry DOI: 10.7270/Q2J38VV6 |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50334268
(CHEMBL1642655 | CHEMBL2205637 | N-(6-(1H-imidazol-...)Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-n1ccnc1 Show InChI InChI=1S/C21H21N5O/c1-21(2,3)16-6-4-15(5-7-16)20(27)24-18-13-26-12-17(8-9-19(26)23-18)25-11-10-22-14-25/h4-14H,1-3H3,(H,24,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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PC cid
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| Article
PubMed
| n/a | n/a | 832 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length human His-tagged GSK3B expressed in baculovirus expression system |
Bioorg Med Chem Lett 27: 1709-1713 (2017)
Article DOI: 10.1016/j.bmcl.2017.02.079
BindingDB Entry DOI: 10.7270/Q2J38VV6 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50237288
(CHEMBL4073198)Show InChI InChI=1S/C15H19N7O2S/c1-10(2)22-9-16-20-13(22)15-19-12(8-25-15)14(23)18-11-6-17-21(7-11)4-5-24-3/h6-10H,4-5H2,1-3H3,(H,18,23) | 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 | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CDK2 (unknown origin) |
Bioorg Med Chem Lett 27: 1709-1713 (2017)
Article DOI: 10.1016/j.bmcl.2017.02.079
BindingDB Entry DOI: 10.7270/Q2J38VV6 |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50334268
(CHEMBL1642655 | CHEMBL2205637 | N-(6-(1H-imidazol-...)Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-n1ccnc1 Show InChI InChI=1S/C21H21N5O/c1-21(2,3)16-6-4-15(5-7-16)20(27)24-18-13-26-12-17(8-9-19(26)23-18)25-11-10-22-14-25/h4-14H,1-3H3,(H,24,27) | PDB
MMDB
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| Article
PubMed
| n/a | n/a | 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human GST-tagged ROCK1 catalytic domain expressed in baculovirus expression system |
Bioorg Med Chem Lett 27: 1709-1713 (2017)
Article DOI: 10.1016/j.bmcl.2017.02.079
BindingDB Entry DOI: 10.7270/Q2J38VV6 |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50237288
(CHEMBL4073198)Show InChI InChI=1S/C15H19N7O2S/c1-10(2)22-9-16-20-13(22)15-19-12(8-25-15)14(23)18-11-6-17-21(7-11)4-5-24-3/h6-10H,4-5H2,1-3H3,(H,18,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human GST-tagged ROCK1 catalytic domain expressed in baculovirus expression system |
Bioorg Med Chem Lett 27: 1709-1713 (2017)
Article DOI: 10.1016/j.bmcl.2017.02.079
BindingDB Entry DOI: 10.7270/Q2J38VV6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50334268
(CHEMBL1642655 | CHEMBL2205637 | N-(6-(1H-imidazol-...)Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-n1ccnc1 Show InChI InChI=1S/C21H21N5O/c1-21(2,3)16-6-4-15(5-7-16)20(27)24-18-13-26-12-17(8-9-19(26)23-18)25-11-10-22-14-25/h4-14H,1-3H3,(H,24,27) | PDB
MMDB
Reactome pathway
KEGG
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CHEMBL
MCE
PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length human GST-tagged ITK expressed in baculovirus expression system |
Bioorg Med Chem Lett 27: 1709-1713 (2017)
Article DOI: 10.1016/j.bmcl.2017.02.079
BindingDB Entry DOI: 10.7270/Q2J38VV6 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50212282
(CHEMBL3981026)Show SMILES Cc1cc(F)c(cc1-n1cnc(c1)C1CC1)C(=O)Nc1ccccn1 Show InChI InChI=1S/C19H17FN4O/c1-12-8-15(20)14(19(25)23-18-4-2-3-7-21-18)9-17(12)24-10-16(22-11-24)13-5-6-13/h2-4,7-11,13H,5-6H2,1H3,(H,21,23,25) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ASK1 (unknown origin) using biotin-MBP as substrate after 20 mins by TR-FRET assay |
Bioorg Med Chem Lett 27: 1709-1713 (2017)
Article DOI: 10.1016/j.bmcl.2017.02.079
BindingDB Entry DOI: 10.7270/Q2J38VV6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50334268
(CHEMBL1642655 | CHEMBL2205637 | N-(6-(1H-imidazol-...)Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-n1ccnc1 Show InChI InChI=1S/C21H21N5O/c1-21(2,3)16-6-4-15(5-7-16)20(27)24-18-13-26-12-17(8-9-19(26)23-18)25-11-10-22-14-25/h4-14H,1-3H3,(H,24,27) | PDB
MMDB
Reactome pathway
KEGG
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CHEMBL
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PC cid
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| Article
PubMed
| n/a | n/a | 6.46E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human GST-tagged MER cytoplasmic domain expressed in baculovirus expression system |
Bioorg Med Chem Lett 27: 1709-1713 (2017)
Article DOI: 10.1016/j.bmcl.2017.02.079
BindingDB Entry DOI: 10.7270/Q2J38VV6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Mer
(Homo sapiens (Human)) | BDBM50237288
(CHEMBL4073198)Show InChI InChI=1S/C15H19N7O2S/c1-10(2)22-9-16-20-13(22)15-19-12(8-25-15)14(23)18-11-6-17-21(7-11)4-5-24-3/h6-10H,4-5H2,1-3H3,(H,18,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human GST-tagged MER cytoplasmic domain expressed in baculovirus expression system |
Bioorg Med Chem Lett 27: 1709-1713 (2017)
Article DOI: 10.1016/j.bmcl.2017.02.079
BindingDB Entry DOI: 10.7270/Q2J38VV6 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50334268
(CHEMBL1642655 | CHEMBL2205637 | N-(6-(1H-imidazol-...)Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-n1ccnc1 Show InChI InChI=1S/C21H21N5O/c1-21(2,3)16-6-4-15(5-7-16)20(27)24-18-13-26-12-17(8-9-19(26)23-18)25-11-10-22-14-25/h4-14H,1-3H3,(H,24,27) | PDB
MMDB
KEGG
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CHEMBL
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PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 1.15E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human GST-tagged RET cytoplasmic domain expressed in baculovirus expression system |
Bioorg Med Chem Lett 27: 1709-1713 (2017)
Article DOI: 10.1016/j.bmcl.2017.02.079
BindingDB Entry DOI: 10.7270/Q2J38VV6 |
More data for this
Ligand-Target Pair | |
5'-AMP-activated protein kinase catalytic subunit alpha-1
(Homo sapiens (Human)) | BDBM50334268
(CHEMBL1642655 | CHEMBL2205637 | N-(6-(1H-imidazol-...)Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-n1ccnc1 Show InChI InChI=1S/C21H21N5O/c1-21(2,3)16-6-4-15(5-7-16)20(27)24-18-13-26-12-17(8-9-19(26)23-18)25-11-10-22-14-25/h4-14H,1-3H3,(H,24,27) | PDB
UniProtKB/SwissProt
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CHEMBL
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PC cid
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| Article
PubMed
| n/a | n/a | 1.38E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PRKAA1 (unknown origin) |
Bioorg Med Chem Lett 27: 1709-1713 (2017)
Article DOI: 10.1016/j.bmcl.2017.02.079
BindingDB Entry DOI: 10.7270/Q2J38VV6 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human)) | BDBM50237288
(CHEMBL4073198)Show InChI InChI=1S/C15H19N7O2S/c1-10(2)22-9-16-20-13(22)15-19-12(8-25-15)14(23)18-11-6-17-21(7-11)4-5-24-3/h6-10H,4-5H2,1-3H3,(H,18,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length human GST-tagged ITK expressed in baculovirus expression system |
Bioorg Med Chem Lett 27: 1709-1713 (2017)
Article DOI: 10.1016/j.bmcl.2017.02.079
BindingDB Entry DOI: 10.7270/Q2J38VV6 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-4
(Homo sapiens (Human)) | BDBM50237288
(CHEMBL4073198)Show InChI InChI=1S/C15H19N7O2S/c1-10(2)22-9-16-20-13(22)15-19-12(8-25-15)14(23)18-11-6-17-21(7-11)4-5-24-3/h6-10H,4-5H2,1-3H3,(H,18,23) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged ERBB4 cytoplasmic domain (708 to 993 residues) expressed in baculovirus expression system |
Bioorg Med Chem Lett 27: 1709-1713 (2017)
Article DOI: 10.1016/j.bmcl.2017.02.079
BindingDB Entry DOI: 10.7270/Q2J38VV6 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50334268
(CHEMBL1642655 | CHEMBL2205637 | N-(6-(1H-imidazol-...)Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-n1ccnc1 Show InChI InChI=1S/C21H21N5O/c1-21(2,3)16-6-4-15(5-7-16)20(27)24-18-13-26-12-17(8-9-19(26)23-18)25-11-10-22-14-25/h4-14H,1-3H3,(H,24,27) | PDB
MMDB
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DrugBank
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PC cid
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| Article
PubMed
| n/a | n/a | <2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibition of human Dipeptidylpeptidase IV. |
Bioorg Med Chem Lett 27: 1709-1713 (2017)
Article DOI: 10.1016/j.bmcl.2017.02.079
BindingDB Entry DOI: 10.7270/Q2J38VV6 |
More data for this
Ligand-Target Pair | |
Macrophage-stimulating protein receptor
(Homo sapiens (Human)) | BDBM50237288
(CHEMBL4073198)Show InChI InChI=1S/C15H19N7O2S/c1-10(2)22-9-16-20-13(22)15-19-12(8-25-15)14(23)18-11-6-17-21(7-11)4-5-24-3/h6-10H,4-5H2,1-3H3,(H,18,23) | PDB
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UniChem
Similars
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PubMed
| n/a | n/a | <2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human GST-tagged RON cytoplasmic domain expressed in baculovirus expression system |
Bioorg Med Chem Lett 27: 1709-1713 (2017)
Article DOI: 10.1016/j.bmcl.2017.02.079
BindingDB Entry DOI: 10.7270/Q2J38VV6 |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50237288
(CHEMBL4073198)Show InChI InChI=1S/C15H19N7O2S/c1-10(2)22-9-16-20-13(22)15-19-12(8-25-15)14(23)18-11-6-17-21(7-11)4-5-24-3/h6-10H,4-5H2,1-3H3,(H,18,23) | PDB
MMDB
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UniProtKB/SwissProt
B.MOAD
DrugBank
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | <2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California Inc.
Curated by ChEMBL
| Assay Description
Compound was tested for inhibitory activity against Thrombin |
Bioorg Med Chem Lett 27: 1709-1713 (2017)
Article DOI: 10.1016/j.bmcl.2017.02.079
BindingDB Entry DOI: 10.7270/Q2J38VV6 |
More data for this
Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-4
(Homo sapiens (Human)) | BDBM50334268
(CHEMBL1642655 | CHEMBL2205637 | N-(6-(1H-imidazol-...)Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-n1ccnc1 Show InChI InChI=1S/C21H21N5O/c1-21(2,3)16-6-4-15(5-7-16)20(27)24-18-13-26-12-17(8-9-19(26)23-18)25-11-10-22-14-25/h4-14H,1-3H3,(H,24,27) | PDB
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PubMed
| n/a | n/a | <2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged ERBB4 cytoplasmic domain (708 to 993 residues) expressed in baculovirus expression system |
Bioorg Med Chem Lett 27: 1709-1713 (2017)
Article DOI: 10.1016/j.bmcl.2017.02.079
BindingDB Entry DOI: 10.7270/Q2J38VV6 |
More data for this
Ligand-Target Pair | |
Macrophage-stimulating protein receptor
(Homo sapiens (Human)) | BDBM50334268
(CHEMBL1642655 | CHEMBL2205637 | N-(6-(1H-imidazol-...)Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-n1ccnc1 Show InChI InChI=1S/C21H21N5O/c1-21(2,3)16-6-4-15(5-7-16)20(27)24-18-13-26-12-17(8-9-19(26)23-18)25-11-10-22-14-25/h4-14H,1-3H3,(H,24,27) | PDB
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PubMed
| n/a | n/a | <2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human GST-tagged RON cytoplasmic domain expressed in baculovirus expression system |
Bioorg Med Chem Lett 27: 1709-1713 (2017)
Article DOI: 10.1016/j.bmcl.2017.02.079
BindingDB Entry DOI: 10.7270/Q2J38VV6 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 3
(Homo sapiens (Human)) | BDBM50334268
(CHEMBL1642655 | CHEMBL2205637 | N-(6-(1H-imidazol-...)Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cn2cc(ccc2n1)-n1ccnc1 Show InChI InChI=1S/C21H21N5O/c1-21(2,3)16-6-4-15(5-7-16)20(27)24-18-13-26-12-17(8-9-19(26)23-18)25-11-10-22-14-25/h4-14H,1-3H3,(H,24,27) | PDB
MMDB
Reactome pathway
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| n/a | n/a | <2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged EPHA3 cytoplasmic domain (569 to 976 residues) expressed in baculovirus expression system |
Bioorg Med Chem Lett 27: 1709-1713 (2017)
Article DOI: 10.1016/j.bmcl.2017.02.079
BindingDB Entry DOI: 10.7270/Q2J38VV6 |
More data for this
Ligand-Target Pair | |
Ephrin type-A receptor 3
(Homo sapiens (Human)) | BDBM50237288
(CHEMBL4073198)Show InChI InChI=1S/C15H19N7O2S/c1-10(2)22-9-16-20-13(22)15-19-12(8-25-15)14(23)18-11-6-17-21(7-11)4-5-24-3/h6-10H,4-5H2,1-3H3,(H,18,23) | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged EPHA3 cytoplasmic domain (569 to 976 residues) expressed in baculovirus expression system |
Bioorg Med Chem Lett 27: 1709-1713 (2017)
Article DOI: 10.1016/j.bmcl.2017.02.079
BindingDB Entry DOI: 10.7270/Q2J38VV6 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50237292
(CHEMBL4062930)Show InChI InChI=1S/C9H10N4OS/c1-2-13-3-8(10-5-13)12-9(14)7-4-15-6-11-7/h3-6H,2H2,1H3,(H,12,14) | PDB
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| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ASK1 (unknown origin) using biotin-MBP as substrate after 20 mins by TR-FRET assay |
Bioorg Med Chem Lett 27: 1709-1713 (2017)
Article DOI: 10.1016/j.bmcl.2017.02.079
BindingDB Entry DOI: 10.7270/Q2J38VV6 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50237291
(CHEMBL4082079)Show InChI InChI=1S/C10H11N3O2/c1-2-13-5-9(11-7-13)12-10(14)8-3-4-15-6-8/h3-7H,2H2,1H3,(H,12,14) | PDB
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PubMed
| n/a | n/a | 5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibition of human Dipeptidylpeptidase IV. |
Bioorg Med Chem Lett 27: 1709-1713 (2017)
Article DOI: 10.1016/j.bmcl.2017.02.079
BindingDB Entry DOI: 10.7270/Q2J38VV6 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50237293
(CHEMBL4093878)Show InChI InChI=1S/C16H21N7O2S/c1-11(2)23-10-17-21-14(23)16-20-13(9-26-16)15(24)19-12-7-18-22(8-12)5-4-6-25-3/h7-11H,4-6H2,1-3H3,(H,19,24) | PDB
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PubMed
| n/a | n/a | n/a | n/a | 65 | n/a | n/a | n/a | n/a |
Takeda California Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ASK1 (unknown origin) assessed as reduction in JNK phosphorylation by cell based assay |
Bioorg Med Chem Lett 27: 1709-1713 (2017)
Article DOI: 10.1016/j.bmcl.2017.02.079
BindingDB Entry DOI: 10.7270/Q2J38VV6 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50237295
(CHEMBL4081134)Show SMILES CC(C)n1cnnc1-c1nc(cs1)C(=O)Nc1cnn(c1)C1COC1 Show InChI InChI=1S/C15H17N7O2S/c1-9(2)21-8-16-20-13(21)15-19-12(7-25-15)14(23)18-10-3-17-22(4-10)11-5-24-6-11/h3-4,7-9,11H,5-6H2,1-2H3,(H,18,23) | PDB
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| n/a | n/a | n/a | n/a | 130 | n/a | n/a | n/a | n/a |
Takeda California Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ASK1 (unknown origin) assessed as reduction in JNK phosphorylation by cell based assay |
Bioorg Med Chem Lett 27: 1709-1713 (2017)
Article DOI: 10.1016/j.bmcl.2017.02.079
BindingDB Entry DOI: 10.7270/Q2J38VV6 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50237289
(CHEMBL4086119)Show SMILES COCCNc1ccnc(NC(=O)c2csc(n2)-c2nncn2C(C)C)c1 Show InChI InChI=1S/C17H21N7O2S/c1-11(2)24-10-20-23-15(24)17-21-13(9-27-17)16(25)22-14-8-12(4-5-19-14)18-6-7-26-3/h4-5,8-11H,6-7H2,1-3H3,(H2,18,19,22,25) | PDB
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| n/a | n/a | n/a | n/a | 99 | n/a | n/a | n/a | n/a |
Takeda California Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ASK1 (unknown origin) assessed as reduction in JNK phosphorylation by cell based assay |
Bioorg Med Chem Lett 27: 1709-1713 (2017)
Article DOI: 10.1016/j.bmcl.2017.02.079
BindingDB Entry DOI: 10.7270/Q2J38VV6 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50237294
(CHEMBL4064613)Show SMILES COCCOc1ccnc(NC(=O)c2csc(n2)-c2nncn2C(C)C)c1 Show InChI InChI=1S/C17H20N6O3S/c1-11(2)23-10-19-22-15(23)17-20-13(9-27-17)16(24)21-14-8-12(4-5-18-14)26-7-6-25-3/h4-5,8-11H,6-7H2,1-3H3,(H,18,21,24) | PDB
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| n/a | n/a | n/a | n/a | 140 | n/a | n/a | n/a | n/a |
Takeda California Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ASK1 (unknown origin) assessed as reduction in JNK phosphorylation by cell based assay |
Bioorg Med Chem Lett 27: 1709-1713 (2017)
Article DOI: 10.1016/j.bmcl.2017.02.079
BindingDB Entry DOI: 10.7270/Q2J38VV6 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50237290
(CHEMBL4084596)Show InChI InChI=1S/C14H17N7OS/c1-4-20-6-10(5-16-20)17-13(22)11-7-23-14(18-11)12-19-15-8-21(12)9(2)3/h5-9H,4H2,1-3H3,(H,17,22) | PDB
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PubMed
| n/a | n/a | n/a | n/a | 600 | n/a | n/a | n/a | n/a |
Takeda California Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ASK1 (unknown origin) assessed as reduction in JNK phosphorylation by cell based assay |
Bioorg Med Chem Lett 27: 1709-1713 (2017)
Article DOI: 10.1016/j.bmcl.2017.02.079
BindingDB Entry DOI: 10.7270/Q2J38VV6 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50237288
(CHEMBL4073198)Show InChI InChI=1S/C15H19N7O2S/c1-10(2)22-9-16-20-13(22)15-19-12(8-25-15)14(23)18-11-6-17-21(7-11)4-5-24-3/h6-10H,4-5H2,1-3H3,(H,18,23) | PDB
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UniChem
Similars
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PubMed
| n/a | n/a | n/a | n/a | 60 | n/a | n/a | n/a | n/a |
Takeda California Inc.
Curated by ChEMBL
| Assay Description
In vitro inhibition of porcine Dipeptidylpeptidase II. |
Bioorg Med Chem Lett 27: 1709-1713 (2017)
Article DOI: 10.1016/j.bmcl.2017.02.079
BindingDB Entry DOI: 10.7270/Q2J38VV6 |
More data for this
Ligand-Target Pair | |
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