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BDBM50038956 CHEMBL63926::{2-[(S)-2-Phenyl-2-(4-sulfamoyl-benzoylamino)-acetylamino]-acetylamino}-acetic acid benzyl ester

SMILES: NS(=O)(=O)c1ccc(cc1)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)OCc1ccccc1)c1ccccc1

InChI Key: InChIKey=XFCXYNZFIBXXLX-DEOSSOPVSA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50038956   
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 2


(Homo sapiens (Human))
BDBM50038956
PNG
(CHEMBL63926 | {2-[(S)-2-Phenyl-2-(4-sulfamoyl-benz...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)OCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H26N4O7S/c27-38(35,36)21-13-11-20(12-14-21)25(33)30-24(19-9-5-2-6-10-19)26(34)29-15-22(31)28-16-23(32)37-17-18-7-3-1-4-8-18/h1-14,24H,15-17H2,(H,28,31)(H,29,34)(H,30,33)(H2,27,35,36)/t24-/m0/s1
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MMDB

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PC cid
PC sid
UniChem
PubMed
n/an/an/a 0.900n/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Dissociation constant against human Carbonic anhydrase II (HCA II)


J Med Chem 37: 2100-5 (1994)

More data for this
Ligand-Target Pair