Found 6 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 |
|---|
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50324735
((5E)-5-(QUINOXALIN-6-YLMETHYLENE)-1,3-THIAZOLIDINE...)Show SMILES OC1=NC(=O)C(S1)=Cc1ccc2nccnc2c1 |w:7.8,t:1| Show InChI InChI=1S/C12H7N3O2S/c16-11-10(18-12(17)15-11)6-7-1-2-8-9(5-7)14-4-3-13-8/h1-6H,(H,15,16,17) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-tagged PI3Kgamma incubated for 180 mins using [33P]gamma-ATP by scintillation proximity assay |
Bioorg Med Chem 23: 2953-74 (2015)
Article DOI: 10.1016/j.bmc.2015.03.071
BindingDB Entry DOI: 10.7270/Q2F76F9R |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM50334175
(2-(2,4-dioxo-5-(4-phenoxybenzylidene)thiazolidin-3...)Show SMILES OC(=O)CN1C(=O)S\C(=C/c2ccc(Oc3ccccc3)cc2)C1=O Show InChI InChI=1S/C18H13NO5S/c20-16(21)11-19-17(22)15(25-18(19)23)10-12-6-8-14(9-7-12)24-13-4-2-1-3-5-13/h1-10H,11H2,(H,20,21)/b15-10- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description
Inhibition of aldose reductase (unknown origin) |
Bioorg Med Chem 23: 2953-74 (2015)
Article DOI: 10.1016/j.bmc.2015.03.071
BindingDB Entry DOI: 10.7270/Q2F76F9R |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50093478
(CHEMBL3585578)Show SMILES C\C(=N\OCCOc1cccc(CC2SC(=O)NC2=O)c1)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C13H20N6O4/c1-2-3-15-13-17-10(14)7-11(18-13)19(5-16-7)12-9(22)8(21)6(4-20)23-12/h5-6,8-9,12,20-22H,2-4H2,1H3,(H3,14,15,17,18)/t6?,8-,9-,12?/m0/s1 | 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 | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description
Agonist activity at PPARgamma (unknown origin) |
Bioorg Med Chem 23: 2953-74 (2015)
Article DOI: 10.1016/j.bmc.2015.03.071
BindingDB Entry DOI: 10.7270/Q2F76F9R |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
(Homo sapiens (Human)) | BDBM50403077
(CHEMBL2216899)Show SMILES OC1=NC(=O)C(S1)=Cc1ccc2OC(F)(F)Oc2c1 |w:7.8,t:1| Show InChI InChI=1S/C11H5F2NO4S/c12-11(13)17-6-2-1-5(3-7(6)18-11)4-8-9(15)14-10(16)19-8/h1-4H,(H,14,15,16) | 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 | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-tagged PI3Kgamma incubated for 180 mins using [33P]gamma-ATP by scintillation proximity assay |
Bioorg Med Chem 23: 2953-74 (2015)
Article DOI: 10.1016/j.bmc.2015.03.071
BindingDB Entry DOI: 10.7270/Q2F76F9R |
More data for this
Ligand-Target Pair | |
Tyrosine-protein phosphatase non-receptor type 1
(Homo sapiens (Human)) | BDBM50093477
(CHEMBL3585579)Show SMILES O=C1NC(=O)\C(S1)=C\c1ccc(cc1)-c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C13H18N6O4/c1-2-3-15-10-7-11(18-13(14)17-10)19(5-16-7)12-9(22)8(21)6(4-20)23-12/h2,5-6,8-9,12,20-22H,1,3-4H2,(H3,14,15,17,18)/t6?,8-,9-,12?/m0/s1 | 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 | 690 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged PTP1B (unknown origin) by pNPP catalysis based colorimetric high throughput assay |
Bioorg Med Chem 23: 2953-74 (2015)
Article DOI: 10.1016/j.bmc.2015.03.071
BindingDB Entry DOI: 10.7270/Q2F76F9R |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM50093476
(CHEMBL1645385)Show InChI InChI=1S/C14H22N6O4/c1-2-3-4-16-14-18-11(15)8-12(19-14)20(6-17-8)13-10(23)9(22)7(5-21)24-13/h6-7,9-10,13,21-23H,2-5H2,1H3,(H3,15,16,18,19)/t7?,9-,10-,13?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Punjabi University
Curated by ChEMBL
| Assay Description
Inhibition of aldose reductase (unknown origin) |
Bioorg Med Chem 23: 2953-74 (2015)
Article DOI: 10.1016/j.bmc.2015.03.071
BindingDB Entry DOI: 10.7270/Q2F76F9R |
More data for this
Ligand-Target Pair | |
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