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5 similar compounds to monomer 50406439

Compile data set for download or QSAR
Wt: 275.3
BDBM50406427		Wt: 279.3
BDBM50406434		Wt: 275.3
BDBM50406442Purchase		Wt: 261.3
BDBM50406456		Wt: 231.3
BDBM50429904

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50406427,50406434,50406442,50406456,50429904   
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 13 (CA XIII)


(Homo sapiens (Human))		BDBM50429904
PNG
(4-Propylthiobenzenesulfonamide | CHEMBL2333400)
Show SMILES CCCSc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C9H13NO2S2/c1-2-7-13-8-3-5-9(6-4-8)14(10,11)12/h3-6H,2,7H2,1H3,(H2,10,11,12)
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n/an/an/a 50n/an/an/a7.0n/a



Vilnius University Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA13 at 37 degC and pH 7.0 by thermal shift assay

Bioorg Med Chem 21: 2093-106 (2013)


Article DOI: 10.1016/j.bmc.2013.01.008
BindingDB Entry DOI: 10.7270/Q2PV6MQK
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))		BDBM50429904
PNG
(4-Propylthiobenzenesulfonamide | CHEMBL2333400)
Show SMILES CCCSc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C9H13NO2S2/c1-2-7-13-8-3-5-9(6-4-8)14(10,11)12/h3-6H,2,7H2,1H3,(H2,10,11,12)
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n/an/an/a 400n/an/an/a7.0n/a



Vilnius University Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA12 at 37 degC and pH 7.0 by thermal shift assay

Bioorg Med Chem 21: 2093-106 (2013)


Article DOI: 10.1016/j.bmc.2013.01.008
BindingDB Entry DOI: 10.7270/Q2PV6MQK
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Carbonic anhydrase 7


(Homo sapiens (Human))		BDBM50429904
PNG
(4-Propylthiobenzenesulfonamide | CHEMBL2333400)
Show SMILES CCCSc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C9H13NO2S2/c1-2-7-13-8-3-5-9(6-4-8)14(10,11)12/h3-6H,2,7H2,1H3,(H2,10,11,12)
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n/an/an/a 17n/an/an/a7.0n/a



Vilnius University Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA7 at 37 degC and pH 7.0 by thermal shift assay

Bioorg Med Chem 21: 2093-106 (2013)


Article DOI: 10.1016/j.bmc.2013.01.008
BindingDB Entry DOI: 10.7270/Q2PV6MQK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50429904
PNG
(4-Propylthiobenzenesulfonamide | CHEMBL2333400)
Show SMILES CCCSc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C9H13NO2S2/c1-2-7-13-8-3-5-9(6-4-8)14(10,11)12/h3-6H,2,7H2,1H3,(H2,10,11,12)
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n/an/an/a 13n/an/an/a7.0n/a



Vilnius University Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA2 at 37 degC and pH 7.0 by thermal shift assay

Bioorg Med Chem 21: 2093-106 (2013)


Article DOI: 10.1016/j.bmc.2013.01.008
BindingDB Entry DOI: 10.7270/Q2PV6MQK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50406456
PNG
(CHEMBL107537)
Show SMILES NS(=O)(=O)c1ccc(SCCCCO)cc1
Show InChI InChI=1S/C10H15NO3S2/c11-16(13,14)10-5-3-9(4-6-10)15-8-2-1-7-12/h3-6,12H,1-2,7-8H2,(H2,11,13,14)
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n/an/a 9n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay

J Med Chem 34: 3098-105 (1991)


Article DOI: 10.1021/jm00114a020
BindingDB Entry DOI: 10.7270/Q2SJ1MTV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50406427
PNG
(CHEMBL321889)
Show SMILES CC(C)(O)CCSc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C11H17NO3S2/c1-11(2,13)7-8-16-9-3-5-10(6-4-9)17(12,14)15/h3-6,13H,7-8H2,1-2H3,(H2,12,14,15)
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n/an/a 20n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay

J Med Chem 34: 3098-105 (1991)


Article DOI: 10.1021/jm00114a020
BindingDB Entry DOI: 10.7270/Q2SJ1MTV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50406434
PNG
(CHEMBL104000)
Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)CCCO
Show InChI InChI=1S/C9H13NO5S2/c10-17(14,15)9-4-2-8(3-5-9)16(12,13)7-1-6-11/h2-5,11H,1,6-7H2,(H2,10,14,15)
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n/an/a 12n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay

J Med Chem 34: 3098-105 (1991)


Article DOI: 10.1021/jm00114a020
BindingDB Entry DOI: 10.7270/Q2SJ1MTV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50406442
PNG
(CHEMBL319239)
Show SMILES NS(=O)(=O)c1ccc(SCCCCCO)cc1
Show InChI InChI=1S/C11H17NO3S2/c12-17(14,15)11-6-4-10(5-7-11)16-9-3-1-2-8-13/h4-7,13H,1-3,8-9H2,(H2,12,14,15)
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n/an/a 4.30n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay

J Med Chem 34: 3098-105 (1991)


Article DOI: 10.1021/jm00114a020
BindingDB Entry DOI: 10.7270/Q2SJ1MTV
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM50429904
PNG
(4-Propylthiobenzenesulfonamide | CHEMBL2333400)
Show SMILES CCCSc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C9H13NO2S2/c1-2-7-13-8-3-5-9(6-4-8)14(10,11)12/h3-6H,2,7H2,1H3,(H2,10,11,12)
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n/an/an/a 4.5n/an/an/a7.0n/a



Vilnius University Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA1 at 37 degC and pH 7.0 by thermal shift assay

Bioorg Med Chem 21: 2093-106 (2013)


Article DOI: 10.1016/j.bmc.2013.01.008
BindingDB Entry DOI: 10.7270/Q2PV6MQK
More data for this
Ligand-Target Pair