Found 4 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 |
|---|
M-phase inducer phosphatase 2
(Homo sapiens (Human)) | BDBM15190
(3-(5-{[(5E)-2-amino-3,7-dicyano-4,6-dimethyl-5H-cy...)Show SMILES Cc1c(C#N)c(N)[nH]c2c(C#N)c(=C)c(=Cc3ccc(o3)-c3cccc(c3)C(O)=O)c12 |w:15.15| Show InChI InChI=1S/C24H16N4O3/c1-12-17(21-13(2)19(11-26)23(27)28-22(21)18(12)10-25)9-16-6-7-20(31-16)14-4-3-5-15(8-14)24(29)30/h3-9,28H,1,27H2,2H3,(H,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibition of recombinant MBP tagged CDC25B assessed as substrate 3-O-methylfluorescein fluorescent emission after 4 hrs |
Eur J Med Chem 45: 896-901 (2010)
Article DOI: 10.1016/j.ejmech.2009.11.028
BindingDB Entry DOI: 10.7270/Q2VQ32SW |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50312523
((E)-2-amino-5-(4-hydroxybenzylidene)-4,6-dimethyl-...)Show SMILES Cc1c(C#N)c(N)[nH]c2c(C#N)c(=C)c(=Cc3ccc(O)cc3)c12 |w:15.15| Show InChI InChI=1S/C19H14N4O/c1-10-14(7-12-3-5-13(24)6-4-12)17-11(2)16(9-21)19(22)23-18(17)15(10)8-20/h3-7,23-24H,1,22H2,2H3 | 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 | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
N-terminal GST-tagged human B-Raf assessed as luminescence activity after 2 hrs |
Eur J Med Chem 45: 896-901 (2010)
Article DOI: 10.1016/j.ejmech.2009.11.028
BindingDB Entry DOI: 10.7270/Q2VQ32SW |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM15190
(3-(5-{[(5E)-2-amino-3,7-dicyano-4,6-dimethyl-5H-cy...)Show SMILES Cc1c(C#N)c(N)[nH]c2c(C#N)c(=C)c(=Cc3ccc(o3)-c3cccc(c3)C(O)=O)c12 |w:15.15| Show InChI InChI=1S/C24H16N4O3/c1-12-17(21-13(2)19(11-26)23(27)28-22(21)18(12)10-25)9-16-6-7-20(31-16)14-4-3-5-15(8-14)24(29)30/h3-9,28H,1,27H2,2H3,(H,29,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.02E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibition of Akt1 |
Eur J Med Chem 45: 896-901 (2010)
Article DOI: 10.1016/j.ejmech.2009.11.028
BindingDB Entry DOI: 10.7270/Q2VQ32SW |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM15189
(4-(5-{[(5E)-2-amino-3,7-dicyano-4,6-dimethyl-5H-cy...)Show SMILES Cc1c(C#N)c(N)[nH]c2c(C#N)c(=C)c(=Cc3ccc(o3)-c3ccc(cc3)C(O)=O)c12 |w:15.15| Show InChI InChI=1S/C24H16N4O3/c1-12-17(21-13(2)19(11-26)23(27)28-22(21)18(12)10-25)9-16-7-8-20(31-16)14-3-5-15(6-4-14)24(29)30/h3-9,28H,1,27H2,2H3,(H,29,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.26E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Inhibition of Akt1 |
Eur J Med Chem 45: 896-901 (2010)
Article DOI: 10.1016/j.ejmech.2009.11.028
BindingDB Entry DOI: 10.7270/Q2VQ32SW |
More data for this
Ligand-Target Pair | |
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