BindingDB logo
myBDB logout

BDBM50058822 CHEMBL3325725

SMILES: [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](OS(N)(=O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OC

InChI Key: InChIKey=QBKHEWJRNZOPNN-JBYJGCOVSA-N

Data: 1 KI

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 1 hit for monomerid = 50058822   
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
Carbonic anhydrase


(Bos taurus)		BDBM50058822
PNG
(CHEMBL3325725)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](OS(N)(=O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OC |r,t:15|
Show InChI InChI=1S/C31H51NO5S/c1-26(2)15-17-31(25(33)36-8)18-16-29(6)20(21(31)19-26)9-10-23-28(5)13-12-24(37-38(32,34)35)27(3,4)22(28)11-14-30(23,29)7/h9,21-24H,10-19H2,1-8H3,(H2,32,34,35)/t21-,22-,23+,24-,28-,29+,30+,31-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 308n/an/an/an/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of bovine erythrocyte carbonic anhydrase 2 using 4-nitrophenyl acetate substrate by photometric assay

Eur J Med Chem 86: 95-102 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.051
BindingDB Entry DOI: 10.7270/Q2R78GWB
More data for this
Ligand-Target Pair