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BDBM50534313 CHEMBL4444202

SMILES: OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1ccsc1)c1cccc(O)c1

InChI Key: InChIKey=OMRJWBOJLQCFAO-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50534313   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
L-lactate dehydrogenase B chain


(Homo sapiens (Human))
BDBM50534313
PNG
(CHEMBL4444202)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1ccsc1)c1cccc(O)c1
Show InChI InChI=1S/C21H16ClNO3S2/c22-16-6-1-2-7-18(16)28-19-17(25)11-21(23-20(19)26,14-8-9-27-12-14)13-4-3-5-15(24)10-13/h1-10,12,24-25H,11H2,(H,23,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 270n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxy-terminal His-tagged LDHB by UV endpoint assay


ACS Med Chem Lett 7: 896-901 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00190
More data for this
Ligand-Target Pair
L-lactate dehydrogenase A chain


(Homo sapiens (Human))
BDBM50534313
PNG
(CHEMBL4444202)
Show SMILES OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1ccsc1)c1cccc(O)c1
Show InChI InChI=1S/C21H16ClNO3S2/c22-16-6-1-2-7-18(16)28-19-17(25)11-21(23-20(19)26,14-8-9-27-12-14)13-4-3-5-15(24)10-13/h1-10,12,24-25H,11H2,(H,23,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 42n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carboxy-terminal His-tagged LDHA by UV endpoint assay


ACS Med Chem Lett 7: 896-901 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00190
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)