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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50571004'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50571004
PNG
(CHEMBL4870137)
Show SMILES NS(=O)(=O)c1ccc(NCC(=O)N\N=C2/C(=O)N(C(=O)c3ccccc3)c3ccccc23)cc1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
65n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112923
BindingDB Entry DOI: 10.7270/Q21N852G
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50571004
PNG
(CHEMBL4870137)
Show SMILES NS(=O)(=O)c1ccc(NCC(=O)N\N=C2/C(=O)N(C(=O)c3ccccc3)c3ccccc23)cc1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
68n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA9 by stopped-flow assay


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116140
BindingDB Entry DOI: 10.7270/Q2TM7FWZ
More data for this
Ligand-Target Pair