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BDBM50288870 2-(2-{2-[2-(4-Sulfamoyl-benzoylamino)-acetylamino]-acetylamino}-acetylamino)-hexanoic acid::CHEMBL2371090

SMILES: CCCC[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccc(cc1)S(N)(=O)=O)C(O)=O

InChI Key: InChIKey=FDSLQEJWWLSOPO-AWEZNQCLSA-N

Data: 1 Kd  1 Koff  1 Kon

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 3 hits for monomerid = 50288870   
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))
BDBM50288870
PNG
(2-(2-{2-[2-(4-Sulfamoyl-benzoylamino)-acetylamino]...)
Show SMILES CCCC[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccc(cc1)S(N)(=O)=O)C(O)=O
Show InChI InChI=1S/C19H27N5O8S/c1-2-3-4-14(19(29)30)24-17(27)11-22-15(25)9-21-16(26)10-23-18(28)12-5-7-13(8-6-12)33(20,31)32/h5-8,14H,2-4,9-11H2,1H3,(H,21,26)(H,22,25)(H,23,28)(H,24,27)(H,29,30)(H2,20,31,32)/t14-/m0/s1
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Article
n/an/an/a 220n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Dissociation constant against human carbonic anhydrase II at 37 degree centigrade


Bioorg Med Chem Lett 6: 559-564 (1996)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50288870
PNG
(2-(2-{2-[2-(4-Sulfamoyl-benzoylamino)-acetylamino]...)
Show SMILES CCCC[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccc(cc1)S(N)(=O)=O)C(O)=O
Show InChI InChI=1S/C19H27N5O8S/c1-2-3-4-14(19(29)30)24-17(27)11-22-15(25)9-21-16(26)10-23-18(28)12-5-7-13(8-6-12)33(20,31)32/h5-8,14H,2-4,9-11H2,1H3,(H,21,26)(H,22,25)(H,23,28)(H,24,27)(H,29,30)(H2,20,31,32)/t14-/m0/s1
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Article
n/an/an/an/an/a 0.0930n/an/an/a



TBA

Curated by ChEMBL


Assay Description
Kinetic constant for binding human carbonic anhydrase II


Bioorg Med Chem Lett 6: 559-564 (1996)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50288870
PNG
(2-(2-{2-[2-(4-Sulfamoyl-benzoylamino)-acetylamino]...)
Show SMILES CCCC[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccc(cc1)S(N)(=O)=O)C(O)=O
Show InChI InChI=1S/C19H27N5O8S/c1-2-3-4-14(19(29)30)24-17(27)11-22-15(25)9-21-16(26)10-23-18(28)12-5-7-13(8-6-12)33(20,31)32/h5-8,14H,2-4,9-11H2,1H3,(H,21,26)(H,22,25)(H,23,28)(H,24,27)(H,29,30)(H2,20,31,32)/t14-/m0/s1
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PC sid
UniChem

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Article
n/an/an/an/an/an/a 4.20E+5n/an/a



TBA

Curated by ChEMBL


Assay Description
Kinetic constant for binding human carbonic anhydrase II (Kon=Kd x Koff)


Bioorg Med Chem Lett 6: 559-564 (1996)

More data for this
Ligand-Target Pair