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 |
|---|
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of AKT1 (unknown origin) after 30 mins |
Bioorg Med Chem 22: 1487-95 (2014)
Article DOI: 10.1016/j.bmc.2013.11.052
BindingDB Entry DOI: 10.7270/Q2VM4DQG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of ABL (unknown origin) after 30 mins |
Bioorg Med Chem 22: 1487-95 (2014)
Article DOI: 10.1016/j.bmc.2013.11.052
BindingDB Entry DOI: 10.7270/Q2VM4DQG |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50447756
(CHEMBL3113284)Show SMILES COc1ccc(cc1OC)S(=O)(=O)Nc1cc(Sc2ncnc3nc[nH]c23)c(O)c2ccccc12 Show InChI InChI=1S/C23H19N5O5S2/c1-32-17-8-7-13(9-18(17)33-2)35(30,31)28-16-10-19(21(29)15-6-4-3-5-14(15)16)34-23-20-22(25-11-24-20)26-12-27-23/h3-12,28-29H,1-2H3,(H,24,25,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.53E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of ABL (unknown origin) after 30 mins |
Bioorg Med Chem 22: 1487-95 (2014)
Article DOI: 10.1016/j.bmc.2013.11.052
BindingDB Entry DOI: 10.7270/Q2VM4DQG |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50447756
(CHEMBL3113284)Show SMILES COc1ccc(cc1OC)S(=O)(=O)Nc1cc(Sc2ncnc3nc[nH]c23)c(O)c2ccccc12 Show InChI InChI=1S/C23H19N5O5S2/c1-32-17-8-7-13(9-18(17)33-2)35(30,31)28-16-10-19(21(29)15-6-4-3-5-14(15)16)34-23-20-22(25-11-24-20)26-12-27-23/h3-12,28-29H,1-2H3,(H,24,25,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.73E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Inhibition of AKT1 (unknown origin) after 30 mins |
Bioorg Med Chem 22: 1487-95 (2014)
Article DOI: 10.1016/j.bmc.2013.11.052
BindingDB Entry DOI: 10.7270/Q2VM4DQG |
More data for this
Ligand-Target Pair | |
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