Found 3 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 |
|---|
Inosine-5'-monophosphate dehydrogenase 2
(Homo sapiens (Human)) | BDBM50356909
(CHEMBL1915558)Show SMILES COc1cc(Nc2nc(C)c(Cc3cccc(Cl)c3)s2)ccc1-c1cnco1 Show InChI InChI=1S/C21H18ClN3O2S/c1-13-20(9-14-4-3-5-15(22)8-14)28-21(24-13)25-16-6-7-17(18(10-16)26-2)19-11-23-12-27-19/h3-8,10-12H,9H2,1-2H3,(H,24,25) | 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 | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Inhibition of IMPDH2 |
Bioorg Med Chem Lett 21: 6554-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.060
BindingDB Entry DOI: 10.7270/Q2QZ2BCM |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50356910
(CHEMBL1915565)Show SMILES COc1ccc(Br)cc1-c1csc(Nc2ccc(cc2)-n2cnc(C)c2)n1 Show InChI InChI=1S/C20H17BrN4OS/c1-13-10-25(12-22-13)16-6-4-15(5-7-16)23-20-24-18(11-27-20)17-9-14(21)3-8-19(17)26-2/h3-12H,1-2H3,(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 21: 6554-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.060
BindingDB Entry DOI: 10.7270/Q2QZ2BCM |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50356911
(CHEMBL1915566)Show SMILES COc1ccc(Br)cc1-c1csc(Nc2ccc(c(OC)c2)-n2cnc(C)c2)n1 Show InChI InChI=1S/C21H19BrN4O2S/c1-13-10-26(12-23-13)18-6-5-15(9-20(18)28-3)24-21-25-17(11-29-21)16-8-14(22)4-7-19(16)27-2/h4-12H,1-3H3,(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 21: 6554-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.060
BindingDB Entry DOI: 10.7270/Q2QZ2BCM |
More data for this
Ligand-Target Pair | |
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