Found 10 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 |
|---|
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50426474
(CHEMBL1980391)Show SMILES COc1cc2Nc3[nH]nc(C)c3N=C(c3ccccc3Cl)c2cc1F |t:13| Show InChI InChI=1S/C18H14ClFN4O/c1-9-16-18(24-23-9)21-14-8-15(25-2)13(20)7-11(14)17(22-16)10-5-3-4-6-12(10)19/h3-8H,1-2H3,(H2,21,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of KDR (unknown origin) |
ACS Med Chem Lett 4: 259-63 (2013)
Article DOI: 10.1021/ml300351e
BindingDB Entry DOI: 10.7270/Q2902541 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50426474
(CHEMBL1980391)Show SMILES COc1cc2Nc3[nH]nc(C)c3N=C(c3ccccc3Cl)c2cc1F |t:13| Show InChI InChI=1S/C18H14ClFN4O/c1-9-16-18(24-23-9)21-14-8-15(25-2)13(20)7-11(14)17(22-16)10-5-3-4-6-12(10)19/h3-8H,1-2H3,(H2,21,23,24) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CHK2 (unknown origin) |
ACS Med Chem Lett 4: 259-63 (2013)
Article DOI: 10.1021/ml300351e
BindingDB Entry DOI: 10.7270/Q2902541 |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 1
(Homo sapiens (Human)) | BDBM50426474
(CHEMBL1980391)Show SMILES COc1cc2Nc3[nH]nc(C)c3N=C(c3ccccc3Cl)c2cc1F |t:13| Show InChI InChI=1S/C18H14ClFN4O/c1-9-16-18(24-23-9)21-14-8-15(25-2)13(20)7-11(14)17(22-16)10-5-3-4-6-12(10)19/h3-8H,1-2H3,(H2,21,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of FGFR1 (unknown origin) |
ACS Med Chem Lett 4: 259-63 (2013)
Article DOI: 10.1021/ml300351e
BindingDB Entry DOI: 10.7270/Q2902541 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50426473
(CHEMBL2322701)Show SMILES Cc1n[nH]c2Nc3ccc(N)cc3C(=Nc12)c1ccccc1Cl |c:14| Show InChI InChI=1S/C17H14ClN5/c1-9-15-17(23-22-9)20-14-7-6-10(19)8-12(14)16(21-15)11-4-2-3-5-13(11)18/h2-8H,19H2,1H3,(H2,20,22,23) | 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 | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of KDR (unknown origin) |
ACS Med Chem Lett 4: 259-63 (2013)
Article DOI: 10.1021/ml300351e
BindingDB Entry DOI: 10.7270/Q2902541 |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 1
(Homo sapiens (Human)) | BDBM50426473
(CHEMBL2322701)Show SMILES Cc1n[nH]c2Nc3ccc(N)cc3C(=Nc12)c1ccccc1Cl |c:14| Show InChI InChI=1S/C17H14ClN5/c1-9-15-17(23-22-9)20-14-7-6-10(19)8-12(14)16(21-15)11-4-2-3-5-13(11)18/h2-8H,19H2,1H3,(H2,20,22,23) | 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 | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of FGFR1 (unknown origin) |
ACS Med Chem Lett 4: 259-63 (2013)
Article DOI: 10.1021/ml300351e
BindingDB Entry DOI: 10.7270/Q2902541 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50426474
(CHEMBL1980391)Show SMILES COc1cc2Nc3[nH]nc(C)c3N=C(c3ccccc3Cl)c2cc1F |t:13| Show InChI InChI=1S/C18H14ClFN4O/c1-9-16-18(24-23-9)21-14-8-15(25-2)13(20)7-11(14)17(22-16)10-5-3-4-6-12(10)19/h3-8H,1-2H3,(H2,21,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of aurora-A (unknown origin) |
ACS Med Chem Lett 4: 259-63 (2013)
Article DOI: 10.1021/ml300351e
BindingDB Entry DOI: 10.7270/Q2902541 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50426473
(CHEMBL2322701)Show SMILES Cc1n[nH]c2Nc3ccc(N)cc3C(=Nc12)c1ccccc1Cl |c:14| Show InChI InChI=1S/C17H14ClN5/c1-9-15-17(23-22-9)20-14-7-6-10(19)8-12(14)16(21-15)11-4-2-3-5-13(11)18/h2-8H,19H2,1H3,(H2,20,22,23) | 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 | 88 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CDK2 (unknown origin) |
ACS Med Chem Lett 4: 259-63 (2013)
Article DOI: 10.1021/ml300351e
BindingDB Entry DOI: 10.7270/Q2902541 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4
(Homo sapiens (Human)) | BDBM50426473
(CHEMBL2322701)Show SMILES Cc1n[nH]c2Nc3ccc(N)cc3C(=Nc12)c1ccccc1Cl |c:14| Show InChI InChI=1S/C17H14ClN5/c1-9-15-17(23-22-9)20-14-7-6-10(19)8-12(14)16(21-15)11-4-2-3-5-13(11)18/h2-8H,19H2,1H3,(H2,20,22,23) | 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 | 303 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CDK4 (unknown origin) |
ACS Med Chem Lett 4: 259-63 (2013)
Article DOI: 10.1021/ml300351e
BindingDB Entry DOI: 10.7270/Q2902541 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 2
(Homo sapiens (Human)) | BDBM50426474
(CHEMBL1980391)Show SMILES COc1cc2Nc3[nH]nc(C)c3N=C(c3ccccc3Cl)c2cc1F |t:13| Show InChI InChI=1S/C18H14ClFN4O/c1-9-16-18(24-23-9)21-14-8-15(25-2)13(20)7-11(14)17(22-16)10-5-3-4-6-12(10)19/h3-8H,1-2H3,(H2,21,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CDK2 (unknown origin) |
ACS Med Chem Lett 4: 259-63 (2013)
Article DOI: 10.1021/ml300351e
BindingDB Entry DOI: 10.7270/Q2902541 |
More data for this
Ligand-Target Pair | |
Cyclin-dependent kinase 4
(Homo sapiens (Human)) | BDBM50426474
(CHEMBL1980391)Show SMILES COc1cc2Nc3[nH]nc(C)c3N=C(c3ccccc3Cl)c2cc1F |t:13| Show InChI InChI=1S/C18H14ClFN4O/c1-9-16-18(24-23-9)21-14-8-15(25-2)13(20)7-11(14)17(22-16)10-5-3-4-6-12(10)19/h3-8H,1-2H3,(H2,21,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hoffmann-La Roche Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CDK4 (unknown origin) |
ACS Med Chem Lett 4: 259-63 (2013)
Article DOI: 10.1021/ml300351e
BindingDB Entry DOI: 10.7270/Q2902541 |
More data for this
Ligand-Target Pair | |
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