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BDBM50288910 3-(4-Chloro-phenyl)-2-{2-[2-(4-sulfamoyl-benzoylamino)-acetylamino]-acetylamino}-propionic acid::CHEMBL2371067

SMILES: NS(=O)(=O)c1ccc(cc1)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccc(Cl)cc1)C(O)=O

InChI Key: InChIKey=PEXYVORXTPKCDQ-KRWDZBQOSA-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 4 hits for monomerid = 50288910   
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))
BDBM50288910
PNG
(3-(4-Chloro-phenyl)-2-{2-[2-(4-sulfamoyl-benzoylam...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccc(Cl)cc1)C(O)=O |r|
Show InChI InChI=1S/C22H24ClN5O8S/c23-15-5-1-13(2-6-15)9-17(22(33)34)28-20(31)12-26-18(29)10-25-19(30)11-27-21(32)14-3-7-16(8-4-14)37(24,35)36/h1-8,17H,9-12H2,(H,25,30)(H,26,29)(H,27,32)(H,28,31)(H,33,34)(H2,24,35,36)/t17-/m0/s1
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n/an/an/a 96n/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)


Article DOI: 10.1016/0960-894X(96)00069-8
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50288910
PNG
(3-(4-Chloro-phenyl)-2-{2-[2-(4-sulfamoyl-benzoylam...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccc(Cl)cc1)C(O)=O |r|
Show InChI InChI=1S/C22H24ClN5O8S/c23-15-5-1-13(2-6-15)9-17(22(33)34)28-20(31)12-26-18(29)10-25-19(30)11-27-21(32)14-3-7-16(8-4-14)37(24,35)36/h1-8,17H,9-12H2,(H,25,30)(H,26,29)(H,27,32)(H,28,31)(H,33,34)(H2,24,35,36)/t17-/m0/s1
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n/an/an/an/an/a 0.0840n/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)


Article DOI: 10.1016/0960-894X(96)00069-8
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50288910
PNG
(3-(4-Chloro-phenyl)-2-{2-[2-(4-sulfamoyl-benzoylam...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccc(Cl)cc1)C(O)=O |r|
Show InChI InChI=1S/C22H24ClN5O8S/c23-15-5-1-13(2-6-15)9-17(22(33)34)28-20(31)12-26-18(29)10-25-19(30)11-27-21(32)14-3-7-16(8-4-14)37(24,35)36/h1-8,17H,9-12H2,(H,25,30)(H,26,29)(H,27,32)(H,28,31)(H,33,34)(H2,24,35,36)/t17-/m0/s1
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n/an/an/a 99n/an/an/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)


Article DOI: 10.1016/0960-894X(96)00069-8
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50288910
PNG
(3-(4-Chloro-phenyl)-2-{2-[2-(4-sulfamoyl-benzoylam...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccc(Cl)cc1)C(O)=O |r|
Show InChI InChI=1S/C22H24ClN5O8S/c23-15-5-1-13(2-6-15)9-17(22(33)34)28-20(31)12-26-18(29)10-25-19(30)11-27-21(32)14-3-7-16(8-4-14)37(24,35)36/h1-8,17H,9-12H2,(H,25,30)(H,26,29)(H,27,32)(H,28,31)(H,33,34)(H2,24,35,36)/t17-/m0/s1
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n/an/an/an/an/an/a 8.50E+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)


Article DOI: 10.1016/0960-894X(96)00069-8
More data for this
Ligand-Target Pair