Found 53 hits for monomerid = 50441567,50447512 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50447512
(CHEMBL3115681)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cc(C#N)c(=O)n(C4CCCC4)c3n2)cc1 Show InChI InChI=1S/C24H27N7O/c1-29-10-12-30(13-11-29)20-8-6-19(7-9-20)27-24-26-16-18-14-17(15-25)23(32)31(22(18)28-24)21-4-2-3-5-21/h6-9,14,16,21H,2-5,10-13H2,1H3,(H,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 159 | n/a | n/a | n/a | n/a | n/a | n/a |
Icahn School of Medicine at Mount Sinai
Curated by ChEMBL
| Assay Description
Inhibition of CDK2/cyclinA (unknown origin) |
J Med Chem 57: 578-99 (2014)
Article DOI: 10.1021/jm401073p
BindingDB Entry DOI: 10.7270/Q28W3FSW |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor beta
(Homo sapiens (Human)) | BDBM50447512
(CHEMBL3115681)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cc(C#N)c(=O)n(C4CCCC4)c3n2)cc1 Show InChI InChI=1S/C24H27N7O/c1-29-10-12-30(13-11-29)20-8-6-19(7-9-20)27-24-26-16-18-14-17(15-25)23(32)31(22(18)28-24)21-4-2-3-5-21/h6-9,14,16,21H,2-5,10-13H2,1H3,(H,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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CHEMBL
MCE
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00533
BindingDB Entry DOI: 10.7270/Q23X8BM3 |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50447512
(CHEMBL3115681)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cc(C#N)c(=O)n(C4CCCC4)c3n2)cc1 Show InChI InChI=1S/C24H27N7O/c1-29-10-12-30(13-11-29)20-8-6-19(7-9-20)27-24-26-16-18-14-17(15-25)23(32)31(22(18)28-24)21-4-2-3-5-21/h6-9,14,16,21H,2-5,10-13H2,1H3,(H,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 144 | n/a | n/a | n/a | n/a | n/a | n/a |
Icahn School of Medicine at Mount Sinai
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) |
J Med Chem 57: 578-99 (2014)
Article DOI: 10.1021/jm401073p
BindingDB Entry DOI: 10.7270/Q28W3FSW |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50447512
(CHEMBL3115681)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cc(C#N)c(=O)n(C4CCCC4)c3n2)cc1 Show InChI InChI=1S/C24H27N7O/c1-29-10-12-30(13-11-29)20-8-6-19(7-9-20)27-24-26-16-18-14-17(15-25)23(32)31(22(18)28-24)21-4-2-3-5-21/h6-9,14,16,21H,2-5,10-13H2,1H3,(H,26,27,28) | PDB
MMDB
Reactome pathway
KEGG
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CHEMBL
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PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
Icahn School of Medicine at Mount Sinai
Curated by ChEMBL
| Assay Description
Inhibition of ABL (unknown origin) |
J Med Chem 57: 578-99 (2014)
Article DOI: 10.1021/jm401073p
BindingDB Entry DOI: 10.7270/Q28W3FSW |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50447512
(CHEMBL3115681)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cc(C#N)c(=O)n(C4CCCC4)c3n2)cc1 Show InChI InChI=1S/C24H27N7O/c1-29-10-12-30(13-11-29)20-8-6-19(7-9-20)27-24-26-16-18-14-17(15-25)23(32)31(22(18)28-24)21-4-2-3-5-21/h6-9,14,16,21H,2-5,10-13H2,1H3,(H,26,27,28) | PDB
NCI pathway
Reactome pathway
KEGG
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CHEMBL
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PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Icahn School of Medicine at Mount Sinai
Curated by ChEMBL
| Assay Description
Inhibition of FLT3 (unknown origin) |
J Med Chem 57: 578-99 (2014)
Article DOI: 10.1021/jm401073p
BindingDB Entry DOI: 10.7270/Q28W3FSW |
More data for this
Ligand-Target Pair | |
Macrophage colony-stimulating factor 1 receptor
(Homo sapiens (Human)) | BDBM50447512
(CHEMBL3115681)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cc(C#N)c(=O)n(C4CCCC4)c3n2)cc1 Show InChI InChI=1S/C24H27N7O/c1-29-10-12-30(13-11-29)20-8-6-19(7-9-20)27-24-26-16-18-14-17(15-25)23(32)31(22(18)28-24)21-4-2-3-5-21/h6-9,14,16,21H,2-5,10-13H2,1H3,(H,26,27,28) | PDB
UniProtKB/SwissProt
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CHEMBL
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PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Icahn School of Medicine at Mount Sinai
Curated by ChEMBL
| Assay Description
Inhibition of FMS (unknown origin) |
J Med Chem 57: 578-99 (2014)
Article DOI: 10.1021/jm401073p
BindingDB Entry DOI: 10.7270/Q28W3FSW |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 6/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM50447512
(CHEMBL3115681)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cc(C#N)c(=O)n(C4CCCC4)c3n2)cc1 Show InChI InChI=1S/C24H27N7O/c1-29-10-12-30(13-11-29)20-8-6-19(7-9-20)27-24-26-16-18-14-17(15-25)23(32)31(22(18)28-24)21-4-2-3-5-21/h6-9,14,16,21H,2-5,10-13H2,1H3,(H,26,27,28) | PDB
KEGG
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CHEMBL
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Icahn School of Medicine at Mount Sinai
Curated by ChEMBL
| Assay Description
Inhibition of CDK6/cyclinD1 (unknown origin) |
J Med Chem 57: 578-99 (2014)
Article DOI: 10.1021/jm401073p
BindingDB Entry DOI: 10.7270/Q28W3FSW |
More data for this
Ligand-Target Pair | |
NUAK family SNF1-like kinase 1
(Homo sapiens (Human)) | BDBM50447512
(CHEMBL3115681)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cc(C#N)c(=O)n(C4CCCC4)c3n2)cc1 Show InChI InChI=1S/C24H27N7O/c1-29-10-12-30(13-11-29)20-8-6-19(7-9-20)27-24-26-16-18-14-17(15-25)23(32)31(22(18)28-24)21-4-2-3-5-21/h6-9,14,16,21H,2-5,10-13H2,1H3,(H,26,27,28) | KEGG
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CHEMBL
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PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Icahn School of Medicine at Mount Sinai
Curated by ChEMBL
| Assay Description
Inhibition of ARK5 (unknown origin) |
J Med Chem 57: 578-99 (2014)
Article DOI: 10.1021/jm401073p
BindingDB Entry DOI: 10.7270/Q28W3FSW |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM50447512
(CHEMBL3115681)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cc(C#N)c(=O)n(C4CCCC4)c3n2)cc1 Show InChI InChI=1S/C24H27N7O/c1-29-10-12-30(13-11-29)20-8-6-19(7-9-20)27-24-26-16-18-14-17(15-25)23(32)31(22(18)28-24)21-4-2-3-5-21/h6-9,14,16,21H,2-5,10-13H2,1H3,(H,26,27,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Icahn School of Medicine at Mount Sinai
Curated by ChEMBL
| Assay Description
Inhibition of CDK4/cyclinD1 (unknown origin) using retinoblastoma as substrate after 30 mins by autoradiography in presence of [gamma-32P]ATP |
J Med Chem 57: 578-99 (2014)
Article DOI: 10.1021/jm401073p
BindingDB Entry DOI: 10.7270/Q28W3FSW |
More data for this
Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50441567
(CHEMBL2436978 | US10485800, Example 181)Show SMILES CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1 Show InChI InChI=1S/C27H27N5/c1-31-10-12-32(13-11-31)18-19-2-4-20(5-3-19)23-15-24-25(17-30-27(24)29-16-23)21-6-7-26-22(14-21)8-9-28-26/h2-9,14-17,28H,10-13,18H2,1H3,(H,29,30) | PDB
MMDB
Reactome pathway
KEGG
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antibodypedia
GoogleScholar
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CHEMBL
MCE
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 307 | n/a | n/a | n/a | n/a | n/a | n/a |
Califia Bio Inc.
Curated by ChEMBL
| Assay Description
Inhibition of wild type human IGF1R by high throughput ATP-[33P] radiolabeled assay |
J Med Chem 56: 8032-48 (2013)
Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS |
More data for this
Ligand-Target Pair | |
Aurora kinase C
(Homo sapiens (Human)) | BDBM50441567
(CHEMBL2436978 | US10485800, Example 181)Show SMILES CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1 Show InChI InChI=1S/C27H27N5/c1-31-10-12-32(13-11-31)18-19-2-4-20(5-3-19)23-15-24-25(17-30-27(24)29-16-23)21-6-7-26-22(14-21)8-9-28-26/h2-9,14-17,28H,10-13,18H2,1H3,(H,29,30) | PDB
NCI pathway
KEGG
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CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
Califia Bio Inc.
Curated by ChEMBL
| Assay Description
Inhibition of wild type human Aurora kinase C kinase by high throughput ATP-[33P] radiolabeled assay |
J Med Chem 56: 8032-48 (2013)
Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50441567
(CHEMBL2436978 | US10485800, Example 181)Show SMILES CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1 Show InChI InChI=1S/C27H27N5/c1-31-10-12-32(13-11-31)18-19-2-4-20(5-3-19)23-15-24-25(17-30-27(24)29-16-23)21-6-7-26-22(14-21)8-9-28-26/h2-9,14-17,28H,10-13,18H2,1H3,(H,29,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
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CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 257 | n/a | n/a | n/a | n/a | n/a | n/a |
Califia Bio Inc.
Curated by ChEMBL
| Assay Description
Inhibition of wild type human IKKb by high throughput ATP-[33P] radiolabeled assay |
J Med Chem 56: 8032-48 (2013)
Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS |
More data for this
Ligand-Target Pair | |
BDNF/NT-3 growth factors receptor
(Homo sapiens (Human)) | BDBM50441567
(CHEMBL2436978 | US10485800, Example 181)Show SMILES CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1 Show InChI InChI=1S/C27H27N5/c1-31-10-12-32(13-11-31)18-19-2-4-20(5-3-19)23-15-24-25(17-30-27(24)29-16-23)21-6-7-26-22(14-21)8-9-28-26/h2-9,14-17,28H,10-13,18H2,1H3,(H,29,30) | PDB
MMDB
KEGG
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antibodypedia
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CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 217 | n/a | n/a | n/a | n/a | n/a | n/a |
Califia Bio Inc.
Curated by ChEMBL
| Assay Description
Inhibition of wild type human TRKB by high throughput ATP-[33P] radiolabeled assay |
J Med Chem 56: 8032-48 (2013)
Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Sgk1
(Homo sapiens (Human)) | BDBM50441567
(CHEMBL2436978 | US10485800, Example 181)Show SMILES CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1 Show InChI InChI=1S/C27H27N5/c1-31-10-12-32(13-11-31)18-19-2-4-20(5-3-19)23-15-24-25(17-30-27(24)29-16-23)21-6-7-26-22(14-21)8-9-28-26/h2-9,14-17,28H,10-13,18H2,1H3,(H,29,30) | 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 | 201 | n/a | n/a | n/a | n/a | n/a | n/a |
Califia Bio Inc.
Curated by ChEMBL
| Assay Description
Inhibition of wild type human SGK1 by high throughput ATP-[33P] radiolabeled assay |
J Med Chem 56: 8032-48 (2013)
Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50441567
(CHEMBL2436978 | US10485800, Example 181)Show SMILES CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1 Show InChI InChI=1S/C27H27N5/c1-31-10-12-32(13-11-31)18-19-2-4-20(5-3-19)23-15-24-25(17-30-27(24)29-16-23)21-6-7-26-22(14-21)8-9-28-26/h2-9,14-17,28H,10-13,18H2,1H3,(H,29,30) | PDB
MMDB
KEGG
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CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Califia Bio Inc.
Curated by ChEMBL
| Assay Description
Inhibition of wild type human IR by high throughput ATP-[33P] radiolabeled assay |
J Med Chem 56: 8032-48 (2013)
Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS |
More data for this
Ligand-Target Pair | |
Hepatocyte growth factor receptor
(Homo sapiens (Human)) | BDBM50441567
(CHEMBL2436978 | US10485800, Example 181)Show SMILES CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1 Show InChI InChI=1S/C27H27N5/c1-31-10-12-32(13-11-31)18-19-2-4-20(5-3-19)23-15-24-25(17-30-27(24)29-16-23)21-6-7-26-22(14-21)8-9-28-26/h2-9,14-17,28H,10-13,18H2,1H3,(H,29,30) | PDB
MMDB
KEGG
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antibodypedia
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CHEMBL
MCE
PC cid
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Similars
| Article
PubMed
| n/a | n/a | 177 | n/a | n/a | n/a | n/a | n/a | n/a |
Califia Bio Inc.
Curated by ChEMBL
| Assay Description
Inhibition of wild type human c-MET by high throughput ATP-[33P] radiolabeled assay |
J Med Chem 56: 8032-48 (2013)
Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS |
More data for this
Ligand-Target Pair | |
Protein delta homolog 1
(Homo sapiens (Human)) | BDBM50441567
(CHEMBL2436978 | US10485800, Example 181)Show SMILES CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1 Show InChI InChI=1S/C27H27N5/c1-31-10-12-32(13-11-31)18-19-2-4-20(5-3-19)23-15-24-25(17-30-27(24)29-16-23)21-6-7-26-22(14-21)8-9-28-26/h2-9,14-17,28H,10-13,18H2,1H3,(H,29,30) | KEGG
UniProtKB/SwissProt
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CHEMBL
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Califia Bio Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human wild type DLK by qPCR analysis |
J Med Chem 56: 8032-48 (2013)
Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50441567
(CHEMBL2436978 | US10485800, Example 181)Show SMILES CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1 Show InChI InChI=1S/C27H27N5/c1-31-10-12-32(13-11-31)18-19-2-4-20(5-3-19)23-15-24-25(17-30-27(24)29-16-23)21-6-7-26-22(14-21)8-9-28-26/h2-9,14-17,28H,10-13,18H2,1H3,(H,29,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 123 | n/a | n/a | n/a | n/a | n/a | n/a |
Califia Bio Inc.
Curated by ChEMBL
| Assay Description
Inhibition of wild type human Aurora kinase B by high throughput ATP-[33P] radiolabeled assay |
J Med Chem 56: 8032-48 (2013)
Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 2
(Homo sapiens (Human)) | BDBM50441567
(CHEMBL2436978 | US10485800, Example 181)Show SMILES CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1 Show InChI InChI=1S/C27H27N5/c1-31-10-12-32(13-11-31)18-19-2-4-20(5-3-19)23-15-24-25(17-30-27(24)29-16-23)21-6-7-26-22(14-21)8-9-28-26/h2-9,14-17,28H,10-13,18H2,1H3,(H,29,30) | PDB
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| n/a | n/a | 111 | n/a | n/a | n/a | n/a | n/a | n/a |
Califia Bio Inc.
Curated by ChEMBL
| Assay Description
Inhibition of wild type human ROCK2 by high throughput ATP-[33P] radiolabeled assay |
J Med Chem 56: 8032-48 (2013)
Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50441567
(CHEMBL2436978 | US10485800, Example 181)Show SMILES CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1 Show InChI InChI=1S/C27H27N5/c1-31-10-12-32(13-11-31)18-19-2-4-20(5-3-19)23-15-24-25(17-30-27(24)29-16-23)21-6-7-26-22(14-21)8-9-28-26/h2-9,14-17,28H,10-13,18H2,1H3,(H,29,30) | PDB
MMDB
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| n/a | n/a | 108 | n/a | n/a | n/a | n/a | n/a | n/a |
Califia Bio Inc.
Curated by ChEMBL
| Assay Description
Inhibition of wild type human Aurora kinase A by high throughput ATP-[33P] radiolabeled assay |
J Med Chem 56: 8032-48 (2013)
Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS |
More data for this
Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM50441567
(CHEMBL2436978 | US10485800, Example 181)Show SMILES CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1 Show InChI InChI=1S/C27H27N5/c1-31-10-12-32(13-11-31)18-19-2-4-20(5-3-19)23-15-24-25(17-30-27(24)29-16-23)21-6-7-26-22(14-21)8-9-28-26/h2-9,14-17,28H,10-13,18H2,1H3,(H,29,30) | PDB
MMDB
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| n/a | n/a | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
Califia Bio Inc.
Curated by ChEMBL
| Assay Description
Inhibition of wild type human TRKA by high throughput ATP-[33P] radiolabeled assay |
J Med Chem 56: 8032-48 (2013)
Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 11
(Homo sapiens (Human)) | BDBM50441567
(CHEMBL2436978 | US10485800, Example 181)Show SMILES CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1 Show InChI InChI=1S/C27H27N5/c1-31-10-12-32(13-11-31)18-19-2-4-20(5-3-19)23-15-24-25(17-30-27(24)29-16-23)21-6-7-26-22(14-21)8-9-28-26/h2-9,14-17,28H,10-13,18H2,1H3,(H,29,30) | PDB
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| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Califia Bio Inc.
Curated by ChEMBL
| Assay Description
Inhibition of MLK3 (unknown origin) after 20 mins by scintillation counting analysis in presence of [33P]-ATP |
J Med Chem 56: 8032-48 (2013)
Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS |
More data for this
Ligand-Target Pair | |
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50441567
(CHEMBL2436978 | US10485800, Example 181)Show SMILES CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1 Show InChI InChI=1S/C27H27N5/c1-31-10-12-32(13-11-31)18-19-2-4-20(5-3-19)23-15-24-25(17-30-27(24)29-16-23)21-6-7-26-22(14-21)8-9-28-26/h2-9,14-17,28H,10-13,18H2,1H3,(H,29,30) | PDB
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Califia Bio Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human wild type LRRK2 by qPCR analysis |
J Med Chem 56: 8032-48 (2013)
Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50441567
(CHEMBL2436978 | US10485800, Example 181)Show SMILES CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1 Show InChI InChI=1S/C27H27N5/c1-31-10-12-32(13-11-31)18-19-2-4-20(5-3-19)23-15-24-25(17-30-27(24)29-16-23)21-6-7-26-22(14-21)8-9-28-26/h2-9,14-17,28H,10-13,18H2,1H3,(H,29,30) | PDB
MMDB
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| n/a | n/a | 6.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Califia Bio Inc.
Curated by ChEMBL
| Assay Description
Inhibition of wild type human ABL1 by high throughput ATP-[33P] radiolabeled assay |
J Med Chem 56: 8032-48 (2013)
Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50441567
(CHEMBL2436978 | US10485800, Example 181)Show SMILES CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1 Show InChI InChI=1S/C27H27N5/c1-31-10-12-32(13-11-31)18-19-2-4-20(5-3-19)23-15-24-25(17-30-27(24)29-16-23)21-6-7-26-22(14-21)8-9-28-26/h2-9,14-17,28H,10-13,18H2,1H3,(H,29,30) | PDB
NCI pathway
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Califia Bio Inc.
Curated by ChEMBL
| Assay Description
Inhibition of wild type human FLT3 by high throughput ATP-[33P] radiolabeled assay |
J Med Chem 56: 8032-48 (2013)
Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 11
(Mus musculus) | BDBM50441567
(CHEMBL2436978 | US10485800, Example 181)Show SMILES CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1 Show InChI InChI=1S/C27H27N5/c1-31-10-12-32(13-11-31)18-19-2-4-20(5-3-19)23-15-24-25(17-30-27(24)29-16-23)21-6-7-26-22(14-21)8-9-28-26/h2-9,14-17,28H,10-13,18H2,1H3,(H,29,30) | PDB
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| n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
Califia Bio Inc.
Curated by ChEMBL
| Assay Description
Inhibition of MLK3 in mouse BV2 cells assessed as inhibition of LPS-induced TNFalpha release after 8 hrs by ELISA |
J Med Chem 56: 8032-48 (2013)
Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS |
More data for this
Ligand-Target Pair | |
Protein delta homolog 1
(Homo sapiens (Human)) | BDBM50441567
(CHEMBL2436978 | US10485800, Example 181)Show SMILES CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1 Show InChI InChI=1S/C27H27N5/c1-31-10-12-32(13-11-31)18-19-2-4-20(5-3-19)23-15-24-25(17-30-27(24)29-16-23)21-6-7-26-22(14-21)8-9-28-26/h2-9,14-17,28H,10-13,18H2,1H3,(H,29,30) | KEGG
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| n/a | n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a |
Califia Bio Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human wild type DLK by qPCR analysis |
J Med Chem 56: 8032-48 (2013)
Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 10
(Homo sapiens (Human)) | BDBM50441567
(CHEMBL2436978 | US10485800, Example 181)Show SMILES CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1 Show InChI InChI=1S/C27H27N5/c1-31-10-12-32(13-11-31)18-19-2-4-20(5-3-19)23-15-24-25(17-30-27(24)29-16-23)21-6-7-26-22(14-21)8-9-28-26/h2-9,14-17,28H,10-13,18H2,1H3,(H,29,30) | PDB
MMDB
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| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Califia Bio Inc.
Curated by ChEMBL
| Assay Description
Inhibition of MLK2 (unknown origin) |
J Med Chem 56: 8032-48 (2013)
Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 9
(Homo sapiens (Human)) | BDBM50441567
(CHEMBL2436978 | US10485800, Example 181)Show SMILES CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1 Show InChI InChI=1S/C27H27N5/c1-31-10-12-32(13-11-31)18-19-2-4-20(5-3-19)23-15-24-25(17-30-27(24)29-16-23)21-6-7-26-22(14-21)8-9-28-26/h2-9,14-17,28H,10-13,18H2,1H3,(H,29,30) | PDB
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| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Califia Bio Inc.
Curated by ChEMBL
| Assay Description
Inhibition of MLK1 (unknown origin) |
J Med Chem 56: 8032-48 (2013)
Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50441567
(CHEMBL2436978 | US10485800, Example 181)Show SMILES CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1 Show InChI InChI=1S/C27H27N5/c1-31-10-12-32(13-11-31)18-19-2-4-20(5-3-19)23-15-24-25(17-30-27(24)29-16-23)21-6-7-26-22(14-21)8-9-28-26/h2-9,14-17,28H,10-13,18H2,1H3,(H,29,30) | PDB
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| n/a | n/a | 1.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Califia Bio Inc.
Curated by ChEMBL
| Assay Description
Inhibition of wild type human CDK1 by high throughput ATP-[33P] radiolabeled assay |
J Med Chem 56: 8032-48 (2013)
Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS |
More data for this
Ligand-Target Pair | |
Rho-associated protein kinase 1
(Homo sapiens (Human)) | BDBM50441567
(CHEMBL2436978 | US10485800, Example 181)Show SMILES CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1 Show InChI InChI=1S/C27H27N5/c1-31-10-12-32(13-11-31)18-19-2-4-20(5-3-19)23-15-24-25(17-30-27(24)29-16-23)21-6-7-26-22(14-21)8-9-28-26/h2-9,14-17,28H,10-13,18H2,1H3,(H,29,30) | PDB
MMDB
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| n/a | n/a | 1.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Califia Bio Inc.
Curated by ChEMBL
| Assay Description
Inhibition of wild type human ROCK1 by high throughput ATP-[33P] radiolabeled assay |
J Med Chem 56: 8032-48 (2013)
Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase SYK
(Homo sapiens (Human)) | BDBM50441567
(CHEMBL2436978 | US10485800, Example 181)Show SMILES CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1 Show InChI InChI=1S/C27H27N5/c1-31-10-12-32(13-11-31)18-19-2-4-20(5-3-19)23-15-24-25(17-30-27(24)29-16-23)21-6-7-26-22(14-21)8-9-28-26/h2-9,14-17,28H,10-13,18H2,1H3,(H,29,30) | PDB
MMDB
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| Article
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| n/a | n/a | 731 | n/a | n/a | n/a | n/a | n/a | n/a |
Califia Bio Inc.
Curated by ChEMBL
| Assay Description
Inhibition of wild type human SYK by high throughput ATP-[33P] radiolabeled assay |
J Med Chem 56: 8032-48 (2013)
Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 2
(Homo sapiens (Human)) | BDBM50441567
(CHEMBL2436978 | US10485800, Example 181)Show SMILES CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1 Show InChI InChI=1S/C27H27N5/c1-31-10-12-32(13-11-31)18-19-2-4-20(5-3-19)23-15-24-25(17-30-27(24)29-16-23)21-6-7-26-22(14-21)8-9-28-26/h2-9,14-17,28H,10-13,18H2,1H3,(H,29,30) | PDB
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| n/a | n/a | 661 | n/a | n/a | n/a | n/a | n/a | n/a |
Califia Bio Inc.
Curated by ChEMBL
| Assay Description
Inhibition of wild type human MEKK2 by high throughput ATP-[33P] radiolabeled assay |
J Med Chem 56: 8032-48 (2013)
Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit alpha
(Homo sapiens (Human)) | BDBM50441567
(CHEMBL2436978 | US10485800, Example 181)Show SMILES CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1 Show InChI InChI=1S/C27H27N5/c1-31-10-12-32(13-11-31)18-19-2-4-20(5-3-19)23-15-24-25(17-30-27(24)29-16-23)21-6-7-26-22(14-21)8-9-28-26/h2-9,14-17,28H,10-13,18H2,1H3,(H,29,30) | PDB
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| n/a | n/a | 591 | n/a | n/a | n/a | n/a | n/a | n/a |
Califia Bio Inc.
Curated by ChEMBL
| Assay Description
Inhibition of wild type human IKKa by high throughput ATP-[33P] radiolabeled assay |
J Med Chem 56: 8032-48 (2013)
Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50441567
(CHEMBL2436978 | US10485800, Example 181)Show SMILES CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1 Show InChI InChI=1S/C27H27N5/c1-31-10-12-32(13-11-31)18-19-2-4-20(5-3-19)23-15-24-25(17-30-27(24)29-16-23)21-6-7-26-22(14-21)8-9-28-26/h2-9,14-17,28H,10-13,18H2,1H3,(H,29,30) | PDB
NCI pathway
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| n/a | n/a | 560 | n/a | n/a | n/a | n/a | n/a | n/a |
Califia Bio Inc.
Curated by ChEMBL
| Assay Description
Inhibition of FLT3-L-stimulated wild type full length human FLT3 autophosphorylation expressed in MEF preincubated for 90 mins followed by FLT3-L sti... |
J Med Chem 56: 8032-48 (2013)
Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50441567
(CHEMBL2436978 | US10485800, Example 181)Show SMILES CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1 Show InChI InChI=1S/C27H27N5/c1-31-10-12-32(13-11-31)18-19-2-4-20(5-3-19)23-15-24-25(17-30-27(24)29-16-23)21-6-7-26-22(14-21)8-9-28-26/h2-9,14-17,28H,10-13,18H2,1H3,(H,29,30) | PDB
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Califia Bio Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes assessed as inhibition of midazolam metabolism by HPLC/MS analysis |
J Med Chem 56: 8032-48 (2013)
Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50441567
(CHEMBL2436978 | US10485800, Example 181)Show SMILES CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1 Show InChI InChI=1S/C27H27N5/c1-31-10-12-32(13-11-31)18-19-2-4-20(5-3-19)23-15-24-25(17-30-27(24)29-16-23)21-6-7-26-22(14-21)8-9-28-26/h2-9,14-17,28H,10-13,18H2,1H3,(H,29,30) | PDB
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Califia Bio Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes assessed as inhibition of diclofenac metabolism by HPLC/MS analysis |
J Med Chem 56: 8032-48 (2013)
Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50441567
(CHEMBL2436978 | US10485800, Example 181)Show SMILES CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1 Show InChI InChI=1S/C27H27N5/c1-31-10-12-32(13-11-31)18-19-2-4-20(5-3-19)23-15-24-25(17-30-27(24)29-16-23)21-6-7-26-22(14-21)8-9-28-26/h2-9,14-17,28H,10-13,18H2,1H3,(H,29,30) | PDB
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| n/a | n/a | 6.29E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Califia Bio Inc.
Curated by ChEMBL
| Assay Description
Inhibition of wild type human ERK2 by high throughput ATP-[33P] radiolabeled assay |
J Med Chem 56: 8032-48 (2013)
Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ZAP-70
(Homo sapiens (Human)) | BDBM50441567
(CHEMBL2436978 | US10485800, Example 181)Show SMILES CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1 Show InChI InChI=1S/C27H27N5/c1-31-10-12-32(13-11-31)18-19-2-4-20(5-3-19)23-15-24-25(17-30-27(24)29-16-23)21-6-7-26-22(14-21)8-9-28-26/h2-9,14-17,28H,10-13,18H2,1H3,(H,29,30) | PDB
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| n/a | n/a | 5.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Califia Bio Inc.
Curated by ChEMBL
| Assay Description
Inhibition of wild type human ZAP70 by high throughput ATP-[33P] radiolabeled assay |
J Med Chem 56: 8032-48 (2013)
Article DOI: 10.1021/jm401094t
BindingDB Entry DOI: 10.7270/Q2P270KS |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 11
(Homo sapiens (Human)) | BDBM50441567
(CHEMBL2436978 | US10485800, Example 181)Show SMILES CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1 Show InChI InChI=1S/C27H27N5/c1-31-10-12-32(13-11-31)18-19-2-4-20(5-3-19)23-15-24-25(17-30-27(24)29-16-23)21-6-7-26-22(14-21)8-9-28-26/h2-9,14-17,28H,10-13,18H2,1H3,(H,29,30) | PDB
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| US Patent
| n/a | n/a | <100 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Rochester; Board of Regents of the University of Nebraska
US Patent
| Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ... |
US Patent US10485800 (2019)
BindingDB Entry DOI: 10.7270/Q22B91DW |
More data for this
Ligand-Target Pair | |
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7
(Homo sapiens (Human)) | BDBM50447512
(CHEMBL3115681)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cc(C#N)c(=O)n(C4CCCC4)c3n2)cc1 Show InChI InChI=1S/C24H27N7O/c1-29-10-12-30(13-11-29)20-8-6-19(7-9-20)27-24-26-16-18-14-17(15-25)23(32)31(22(18)28-24)21-4-2-3-5-21/h6-9,14,16,21H,2-5,10-13H2,1H3,(H,26,27,28) | PDB
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| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University and Institute of Experimental Botany ASCR
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged CDK7/cyclinH/MAT1 (unknown origin) expressed in Baculovirus infected Sf9 cells using YSPTSPS-2 KK peptide as substrate as su... |
J Med Chem 61: 9105-9120 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00049
BindingDB Entry DOI: 10.7270/Q2FB5665 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1
(Homo sapiens (Human)) | BDBM50447512
(CHEMBL3115681)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cc(C#N)c(=O)n(C4CCCC4)c3n2)cc1 Show InChI InChI=1S/C24H27N7O/c1-29-10-12-30(13-11-29)20-8-6-19(7-9-20)27-24-26-16-18-14-17(15-25)23(32)31(22(18)28-24)21-4-2-3-5-21/h6-9,14,16,21H,2-5,10-13H2,1H3,(H,26,27,28) | PDB
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University and Institute of Experimental Botany ASCR
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged CDK4/cyclin D1 (unknown origin) expressed in Baculovirus infected Sf9 cells using RPPTLSPIPHIPR peptide as substrate in pres... |
J Med Chem 61: 9105-9120 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00049
BindingDB Entry DOI: 10.7270/Q2FB5665 |
More data for this
Ligand-Target Pair | |
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50447512
(CHEMBL3115681)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cc(C#N)c(=O)n(C4CCCC4)c3n2)cc1 Show InChI InChI=1S/C24H27N7O/c1-29-10-12-30(13-11-29)20-8-6-19(7-9-20)27-24-26-16-18-14-17(15-25)23(32)31(22(18)28-24)21-4-2-3-5-21/h6-9,14,16,21H,2-5,10-13H2,1H3,(H,26,27,28) | PDB
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| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University and Institute of Experimental Botany ASCR
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged CDK2/cyclin A2 (unknown origin) expressed in Escherichia coli using histone H1 as substrate in presence of [gamma-33P]-ATP b... |
J Med Chem 61: 9105-9120 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00049
BindingDB Entry DOI: 10.7270/Q2FB5665 |
More data for this
Ligand-Target Pair | |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50447512
(CHEMBL3115681)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cc(C#N)c(=O)n(C4CCCC4)c3n2)cc1 Show InChI InChI=1S/C24H27N7O/c1-29-10-12-30(13-11-29)20-8-6-19(7-9-20)27-24-26-16-18-14-17(15-25)23(32)31(22(18)28-24)21-4-2-3-5-21/h6-9,14,16,21H,2-5,10-13H2,1H3,(H,26,27,28) | PDB
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| n/a | n/a | 117 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University and Institute of Experimental Botany ASCR
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged CDK9/CyclinT1 (unknown origin) expressed in Baculovirus infected Sf9 cells using YSPTSPS-2 KK peptide as substrate as substr... |
J Med Chem 61: 9105-9120 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00049
BindingDB Entry DOI: 10.7270/Q2FB5665 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1
(Homo sapiens (Human)) | BDBM50447512
(CHEMBL3115681)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cc(C#N)c(=O)n(C4CCCC4)c3n2)cc1 Show InChI InChI=1S/C24H27N7O/c1-29-10-12-30(13-11-29)20-8-6-19(7-9-20)27-24-26-16-18-14-17(15-25)23(32)31(22(18)28-24)21-4-2-3-5-21/h6-9,14,16,21H,2-5,10-13H2,1H3,(H,26,27,28) | PDB
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| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University and Institute of Experimental Botany ASCR
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged CDK1/cyclin B1 (unknown origin) expressed in Baculovirus infected Sf9 cells using histone H1 as substrate in presence of [ga... |
J Med Chem 61: 9105-9120 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00049
BindingDB Entry DOI: 10.7270/Q2FB5665 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human)) | BDBM50447512
(CHEMBL3115681)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cc(C#N)c(=O)n(C4CCCC4)c3n2)cc1 Show InChI InChI=1S/C24H27N7O/c1-29-10-12-30(13-11-29)20-8-6-19(7-9-20)27-24-26-16-18-14-17(15-25)23(32)31(22(18)28-24)21-4-2-3-5-21/h6-9,14,16,21H,2-5,10-13H2,1H3,(H,26,27,28) | PDB
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| n/a | n/a | 377 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University and Institute of Experimental Botany ASCR
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged CDK2/cyclin E (unknown origin) expressed in Baculovirus infected Sf9 cells using histone H1 as substrate in presence of [gam... |
J Med Chem 61: 9105-9120 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00049
BindingDB Entry DOI: 10.7270/Q2FB5665 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human)) | BDBM50447512
(CHEMBL3115681)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cc(C#N)c(=O)n(C4CCCC4)c3n2)cc1 Show InChI InChI=1S/C24H27N7O/c1-29-10-12-30(13-11-29)20-8-6-19(7-9-20)27-24-26-16-18-14-17(15-25)23(32)31(22(18)28-24)21-4-2-3-5-21/h6-9,14,16,21H,2-5,10-13H2,1H3,(H,26,27,28) | PDB
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| n/a | n/a | 272 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University and Institute of Experimental Botany ASCR
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged CDK5/p25 (unknown origin) expressed in Baculovirus infected Sf9 cells using histone H1 as substrate as substrate in presence... |
J Med Chem 61: 9105-9120 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00049
BindingDB Entry DOI: 10.7270/Q2FB5665 |
More data for this
Ligand-Target Pair | |
TRAF2 and NCK-interacting protein kinase
(Homo sapiens (Human)) | BDBM50441567
(CHEMBL2436978 | US10485800, Example 181)Show SMILES CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1 Show InChI InChI=1S/C27H27N5/c1-31-10-12-32(13-11-31)18-19-2-4-20(5-3-19)23-15-24-25(17-30-27(24)29-16-23)21-6-7-26-22(14-21)8-9-28-26/h2-9,14-17,28H,10-13,18H2,1H3,(H,29,30) | PDB
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| n/a | n/a | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of TNIK (unknown origin) |
Citation and Details
Article DOI: 10.1016/j.bmcl.2020.127749
BindingDB Entry DOI: 10.7270/Q2639TBB |
More data for this
Ligand-Target Pair | |
NUAK family SNF1-like kinase 1
(Homo sapiens (Human)) | BDBM50447512
(CHEMBL3115681)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cc(C#N)c(=O)n(C4CCCC4)c3n2)cc1 Show InChI InChI=1S/C24H27N7O/c1-29-10-12-30(13-11-29)20-8-6-19(7-9-20)27-24-26-16-18-14-17(15-25)23(32)31(22(18)28-24)21-4-2-3-5-21/h6-9,14,16,21H,2-5,10-13H2,1H3,(H,26,27,28) | KEGG
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00533
BindingDB Entry DOI: 10.7270/Q23X8BM3 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase Fyn
(Homo sapiens (Human)) | BDBM50447512
(CHEMBL3115681)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cc(C#N)c(=O)n(C4CCCC4)c3n2)cc1 Show InChI InChI=1S/C24H27N7O/c1-29-10-12-30(13-11-29)20-8-6-19(7-9-20)27-24-26-16-18-14-17(15-25)23(32)31(22(18)28-24)21-4-2-3-5-21/h6-9,14,16,21H,2-5,10-13H2,1H3,(H,26,27,28) | PDB
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| 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.0c00533
BindingDB Entry DOI: 10.7270/Q23X8BM3 |
More data for this
Ligand-Target Pair | |
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