BindingDB logo
myBDB logout

null

SMILES: C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1nccs1

InChI Key: InChIKey=BNOKIFBZSXYOCT-JTQLQIEISA-N

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 3 hits for monomerid = 50432780   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Inosine-5'-monophosphate dehydrogenase 2


(Homo sapiens (Human))
BDBM50432780
PNG
(CHEMBL2348806)
Show SMILES C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1nccs1 |r|
Show InChI InChI=1S/C19H13Cl2N3O3S/c1-10(26-15-4-2-3-12(20)16(15)21)17(25)23-11-5-6-14-13(9-11)24-18(27-14)19-22-7-8-28-19/h2-10H,1H3,(H,23,25)/t10-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of human IMPDH2


J Med Chem 56: 4028-43 (2013)


Article DOI: 10.1021/jm400241j
BindingDB Entry DOI: 10.7270/Q2GF0VWF
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Cryptosporidium parvum)
BDBM50432780
PNG
(CHEMBL2348806)
Show SMILES C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1nccs1 |r|
Show InChI InChI=1S/C19H13Cl2N3O3S/c1-10(26-15-4-2-3-12(20)16(15)21)17(25)23-11-5-6-14-13(9-11)24-18(27-14)19-22-7-8-28-19/h2-10H,1H3,(H,23,25)/t10-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH production expressed in Escherichia coli BL21(DE3) preincubated for 5...


J Med Chem 56: 4028-43 (2013)


Article DOI: 10.1021/jm400241j
BindingDB Entry DOI: 10.7270/Q2GF0VWF
More data for this
Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase


(Cryptosporidium parvum)
BDBM50432780
PNG
(CHEMBL2348806)
Show SMILES C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1nccs1 |r|
Show InChI InChI=1S/C19H13Cl2N3O3S/c1-10(26-15-4-2-3-12(20)16(15)21)17(25)23-11-5-6-14-13(9-11)24-18(27-14)19-22-7-8-28-19/h2-10H,1H3,(H,23,25)/t10-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Brandeis University

Curated by ChEMBL


Assay Description
Inhibition of Cryptosporidium parvum N-terminal His6-tagged IMPDH-mediated NADH production expressed in Escherichia coli BL21(DE3) preincubated for 5...


J Med Chem 56: 4028-43 (2013)


Article DOI: 10.1021/jm400241j
BindingDB Entry DOI: 10.7270/Q2GF0VWF
More data for this
Ligand-Target Pair