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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50106424'   
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 1


(Homo sapiens (Human))
BDBM50106424
PNG
(CHEMBL3601890)
Show SMILES Cc1ccc(cc1)-c1cs\c(=N/c2ccc(cc2)S(N)(=O)=O)n1C1CCCCC1
Show InChI InChI=1S/C22H25N3O2S2/c1-16-7-9-17(10-8-16)21-15-28-22(25(21)19-5-3-2-4-6-19)24-18-11-13-20(14-12-18)29(23,26)27/h7-15,19H,2-6H2,1H3,(H2,23,26,27)/b24-22-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.59E+3n/an/an/an/an/an/an/an/a



University of Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1


Bioorg Med Chem Lett 25: 3281-4 (2015)


BindingDB Entry DOI: 10.7270/Q2RB76CZ
More data for this
Ligand-Target Pair