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Compile Data Set for Download or QSAR

Found 10 hits of koff data for polymerid = 1192   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50380144
PNG
(CHEMBL2010994 | carbonic anhydrase (CA) inhibitors...)
Show SMILES CC(C)(C)c1cc(=O)[nH]c(SCC(=O)c2ccc(cc2)S(N)(=O)=O)n1
Show InChI InChI=1S/C16H19N3O4S2/c1-16(2,3)13-8-14(21)19-15(18-13)24-9-12(20)10-4-6-11(7-5-10)25(17,22)23/h4-8H,9H2,1-3H3,(H2,17,22,23)(H,18,19,21)
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n/an/an/an/an/a 0.00170n/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA1 expressed in Escherichia coli assessed as dissociation rate constant after 30 secs by surface plasmon reson...


J Med Chem 59: 2083-93 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50163861
PNG
(CHEMBL3799945 | carbonic anhydrase (CA) inhibitors...)
Show SMILES COc1ccc(CNc2c(F)c(F)c(F)c(F)c2S(N)(=O)=O)cc1
Show InChI InChI=1S/C14H12F4N2O3S/c1-23-8-4-2-7(3-5-8)6-20-13-11(17)9(15)10(16)12(18)14(13)24(19,21)22/h2-5,20H,6H2,1H3,(H2,19,21,22)
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n/an/an/an/an/a 0.00660n/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA1 expressed in Escherichia coli assessed as dissociation rate constant after 30 secs by surface plasmon reson...


J Med Chem 59: 2083-93 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50163863
PNG
(4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulf...)
Show SMILES NS(=O)(=O)c1ccc(cc1Cl)C(=O)Cn1cnc2ccccc12
Show InChI InChI=1S/C15H12ClN3O3S/c16-11-7-10(5-6-15(11)23(17,21)22)14(20)8-19-9-18-12-3-1-2-4-13(12)19/h1-7,9H,8H2,(H2,17,21,22)
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n/an/an/an/an/a 0.00750n/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA1 expressed in Escherichia coli assessed as dissociation rate constant after 30 secs by surface plasmon reson...


J Med Chem 59: 2083-93 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50163862
PNG
(4-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)Cn1cnc2ccccc12
Show InChI InChI=1S/C15H13N3O3S/c16-22(20,21)12-7-5-11(6-8-12)15(19)9-18-10-17-13-3-1-2-4-14(13)18/h1-8,10H,9H2,(H2,16,20,21)
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n/an/an/an/an/a 0.00790n/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA1 expressed in Escherichia coli assessed as dissociation rate constant after 30 secs by surface plasmon reson...


J Med Chem 59: 2083-93 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50163864
PNG
(3-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (...)
Show SMILES NS(=O)(=O)c1cccc(c1)C(=O)Cn1cnc2ccccc12
Show InChI InChI=1S/C15H13N3O3S/c16-22(20,21)12-5-3-4-11(8-12)15(19)9-18-10-17-13-6-1-2-7-14(13)18/h1-8,10H,9H2,(H2,16,20,21)
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n/an/an/an/an/a 0.00790n/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA1 expressed in Escherichia coli assessed as dissociation rate constant after 30 secs by surface plasmon reson...


J Med Chem 59: 2083-93 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50163858
PNG
(CHEMBL2443188 | carbonic anhydrase (CA) inhibitors...)
Show SMILES NS(=O)(=O)c1ccc(cc1Cl)C(=O)CSc1ncccn1
Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-6-8(2-3-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)
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n/an/an/an/an/a 0.00840n/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA1 expressed in Escherichia coli assessed as dissociation rate constant after 30 secs by surface plasmon reson...


J Med Chem 59: 2083-93 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50163865
PNG
(CHEMBL3799577 | carbonic anhydrase (CA) inhibitors...)
Show SMILES CNc1c(F)c(c(F)c(F)c1S(=O)(=O)CCc1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C15H15F3N2O4S2/c1-20-13-12(18)14(26(19,23)24)10(16)11(17)15(13)25(21,22)8-7-9-5-3-2-4-6-9/h2-6,20H,7-8H2,1H3,(H2,19,23,24)
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n/an/an/an/an/a 0.0100n/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA1 expressed in Escherichia coli assessed as dissociation rate constant after 30 secs by surface plasmon reson...


J Med Chem 59: 2083-93 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50380148
PNG
(CHEMBL2011156 | carbonic anhydrase (CA) inhibitors...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)CSc1ncccn1
Show InChI InChI=1S/C12H11N3O3S2/c13-20(17,18)10-4-2-9(3-5-10)11(16)8-19-12-14-6-1-7-15-12/h1-7H,8H2,(H2,13,17,18)
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n/an/an/an/an/a 0.0120n/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA1 expressed in Escherichia coli assessed as dissociation rate constant after 30 secs by surface plasmon reson...


J Med Chem 59: 2083-93 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50163867
PNG
(CHEMBL2443189 | carbonic anhydrase (CA) inhibitors...)
Show SMILES NS(=O)(=O)c1cccc(c1)C(=O)CSc1ncccn1
Show InChI InChI=1S/C12H11N3O3S2/c13-20(17,18)10-4-1-3-9(7-10)11(16)8-19-12-14-5-2-6-15-12/h1-7H,8H2,(H2,13,17,18)
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n/an/an/an/an/a 0.210n/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA1 expressed in Escherichia coli assessed as dissociation rate constant after 30 secs by surface plasmon reson...


J Med Chem 59: 2083-93 (2016)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50380140
PNG
(CHEMBL2011155 | carbonic anhydrase (CA) inhibitors...)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1ncccn1
Show InChI InChI=1S/C12H10ClN3O3S2/c13-9-3-2-8(6-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)
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n/an/an/an/an/a 0.430n/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA1 expressed in Escherichia coli assessed as dissociation rate constant after 30 secs by surface plasmon reson...


J Med Chem 59: 2083-93 (2016)

More data for this
Ligand-Target Pair