BDBM50089923 CHEMBL3581204
SMILES: CCOC(=O)Cc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)ccc(c2Cl)-c2ccccc2)c1
InChI Key: InChIKey=DUJYBFXNJOYEHL-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50089923 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Lactate dehydrogenase B (LDHB)
(Homo sapiens (Human)) | BDBM50089923
(CHEMBL3581204)Show SMILES CCOC(=O)Cc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)ccc(c2Cl)-c2ccccc2)c1 |c:13| Show InChI InChI=1S/C28H23Cl3O4S/c1-2-35-25(34)13-16-8-10-20(29)24(12-16)36-28-22(32)14-18(15-23(28)33)26-21(30)11-9-19(27(26)31)17-6-4-3-5-7-17/h3-12,18,32H,2,13-15H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of LDH-B (unknown origin) |
Bioorg Med Chem Lett 25: 75-82 (2015)
Article DOI: 10.1016/j.bmcl.2014.11.008
BindingDB Entry DOI: 10.7270/Q2BR8TXC |
More data for this
Ligand-Target Pair | |
Lactate dehydrogenase A (LDHA)
(Homo sapiens (Human)) | BDBM50089923
(CHEMBL3581204)Show SMILES CCOC(=O)Cc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)ccc(c2Cl)-c2ccccc2)c1 |c:13| Show InChI InChI=1S/C28H23Cl3O4S/c1-2-35-25(34)13-16-8-10-20(29)24(12-16)36-28-22(32)14-18(15-23(28)33)26-21(30)11-9-19(27(26)31)17-6-4-3-5-7-17/h3-12,18,32H,2,13-15H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description
Inhibition of human LDH-A by biochemical assay |
Bioorg Med Chem Lett 25: 75-82 (2015)
Article DOI: 10.1016/j.bmcl.2014.11.008
BindingDB Entry DOI: 10.7270/Q2BR8TXC |
More data for this
Ligand-Target Pair | |
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