BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM50180265'   
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))		BDBM50180265
PNG
(CHEMBL3814523)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)c2ccc(cc2)N2C3=C(C(C4=C2CCCC4=O)c2ccc(Cl)cc2)C(=O)CCC3)s1 |c:19,22|
Show InChI InChI=1S/C28H24ClN5O5S2/c29-17-11-7-15(8-12-17)23-24-19(3-1-5-21(24)35)34(20-4-2-6-22(36)25(20)23)18-13-9-16(10-14-18)26(37)31-27-32-33-28(40-27)41(30,38)39/h7-14,23H,1-6H2,(H2,30,38,39)(H,31,32,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 29n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA1 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay

Bioorg Med Chem 24: 3548-55 (2016)


Article DOI: 10.1016/j.bmc.2016.05.064
BindingDB Entry DOI: 10.7270/Q2N29ZVD
More data for this
Ligand-Target Pair