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Compile Data Set for Download or QSAR

Found 21 hits Enz. Inhib. hit(s) with all data for assayid = 11 entry = 50039003   
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 6 (CA-VI)


(Homo sapiens (Human))
BDBM50303498
PNG
(1-(2-Oxo-2H-chromen-6-ylmethyl)-3,5,7-triaza-1-azo...)
Show SMILES O=c1ccc2cc(C[N+]34CN5CN(CN(C5)C3)C4)ccc2o1 |TLB:15:14:17:10.9.11,15:10:17:14.16.13,THB:9:8:10.11.15:13,9:10:8.16.17:13|
Show InChI InChI=1S/C16H19N4O2/c21-16-4-2-14-5-13(1-3-15(14)22-16)6-20-10-17-7-18(11-20)9-19(8-17)12-20/h1-5H,6-12H2/q+1
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100n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 6 by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)


Article DOI: 10.1021/jm901287j
BindingDB Entry DOI: 10.7270/Q2MS3TP5
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50303497
PNG
(6-(aminomethyl)-2H-chromen-2-one | CHEMBL567139)
Show SMILES NCc1ccc2oc(=O)ccc2c1
Show InChI InChI=1S/C10H9NO2/c11-6-7-1-3-9-8(5-7)2-4-10(12)13-9/h1-5H,6,11H2
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1.30E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 6 by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)


Article DOI: 10.1021/jm901287j
BindingDB Entry DOI: 10.7270/Q2MS3TP5
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM12342
PNG
(2H-chromen-2-one | CHEMBL6466 | Coumarin)
Show SMILES O=c1ccc2ccccc2o1
Show InChI InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
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2.00E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 6 by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)


Article DOI: 10.1021/jm901287j
BindingDB Entry DOI: 10.7270/Q2MS3TP5
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50300203
PNG
((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...)
Show SMILES COc1cc2oc(=O)ccc2cc1[C@@H](O)CC(C)C |r|
Show InChI InChI=1S/C15H18O4/c1-9(2)6-12(16)11-7-10-4-5-15(17)19-13(10)8-14(11)18-3/h4-5,7-9,12,16H,6H2,1-3H3/t12-/m0/s1
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4.30E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 6 by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)


Article DOI: 10.1021/jm901287j
BindingDB Entry DOI: 10.7270/Q2MS3TP5
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50303499
PNG
(7-(methyloxy)-2H-chromen-2-one | 7-Methoxycoumarin...)
Show SMILES COc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3
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5.50E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 6 by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)


Article DOI: 10.1021/jm901287j
BindingDB Entry DOI: 10.7270/Q2MS3TP5
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50303493
PNG
(CHEMBL567896 | methyl 6-(hydroxymethyl)-2-oxo-2H-c...)
Show SMILES COC(=O)c1cc2cc(CO)ccc2oc1=O
Show InChI InChI=1S/C12H10O5/c1-16-11(14)9-5-8-4-7(6-13)2-3-10(8)17-12(9)15/h2-5,13H,6H2,1H3
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5.60E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 6 by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)


Article DOI: 10.1021/jm901287j
BindingDB Entry DOI: 10.7270/Q2MS3TP5
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50303495
PNG
(CHEMBL568385 | ethyl 7-methoxy-2-oxo-2H-chromene-3...)
Show SMILES CCOC(=O)c1cc2ccc(OC)cc2oc1=O
Show InChI InChI=1S/C13H12O5/c1-3-17-12(14)10-6-8-4-5-9(16-2)7-11(8)18-13(10)15/h4-7H,3H2,1-2H3
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6.60E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 6 by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)


Article DOI: 10.1021/jm901287j
BindingDB Entry DOI: 10.7270/Q2MS3TP5
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50303494
PNG
(CHEMBL568173 | ethyl 6-(hydroxymethyl)-2-oxo-2H-ch...)
Show SMILES CCOC(=O)c1cc2cc(CO)ccc2oc1=O
Show InChI InChI=1S/C13H12O5/c1-2-17-12(15)10-6-9-5-8(7-14)3-4-11(9)18-13(10)16/h3-6,14H,2,7H2,1H3
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6.70E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 6 by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)


Article DOI: 10.1021/jm901287j
BindingDB Entry DOI: 10.7270/Q2MS3TP5
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50303501
PNG
(7-propoxy-2H-chromen-2-one | CHEMBL568516)
Show SMILES CCCOc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C12H12O3/c1-2-7-14-10-5-3-9-4-6-12(13)15-11(9)8-10/h3-6,8H,2,7H2,1H3
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7.40E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 6 by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)


Article DOI: 10.1021/jm901287j
BindingDB Entry DOI: 10.7270/Q2MS3TP5
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50303496
PNG
(6-(hydroxymethyl)-2H-chromen-2-one | CHEMBL571738)
Show SMILES OCc1ccc2oc(=O)ccc2c1
Show InChI InChI=1S/C10H8O3/c11-6-7-1-3-9-8(5-7)2-4-10(12)13-9/h1-5,11H,6H2
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9.30E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 6 by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)


Article DOI: 10.1021/jm901287j
BindingDB Entry DOI: 10.7270/Q2MS3TP5
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50303502
PNG
(7-butoxy-2H-chromen-2-one | CHEMBL571514)
Show SMILES CCCCOc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C13H14O3/c1-2-3-8-15-11-6-4-10-5-7-13(14)16-12(10)9-11/h4-7,9H,2-3,8H2,1H3
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1.30E+4n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 6 by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)


Article DOI: 10.1021/jm901287j
BindingDB Entry DOI: 10.7270/Q2MS3TP5
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50303490
PNG
(6-(hydroxymethyl)-2-oxo-2H-chromene-3-carboxylic a...)
Show SMILES OCc1ccc2oc(=O)c(cc2c1)C(O)=O
Show InChI InChI=1S/C11H8O5/c12-5-6-1-2-9-7(3-6)4-8(10(13)14)11(15)16-9/h1-4,12H,5H2,(H,13,14)
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4.31E+4n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 6 by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)


Article DOI: 10.1021/jm901287j
BindingDB Entry DOI: 10.7270/Q2MS3TP5
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50303491
PNG
(8-methoxy-2-oxo-2H-chromene-3-carboxylic acid | CH...)
Show SMILES COc1cccc2cc(C(O)=O)c(=O)oc12
Show InChI InChI=1S/C11H8O5/c1-15-8-4-2-3-6-5-7(10(12)13)11(14)16-9(6)8/h2-5H,1H3,(H,12,13)
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4.45E+4n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 6 by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)


Article DOI: 10.1021/jm901287j
BindingDB Entry DOI: 10.7270/Q2MS3TP5
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50303488
PNG
(6-methyl-2-oxo-2H-chromene-3-carboxylic acid | CHE...)
Show SMILES Cc1ccc2oc(=O)c(cc2c1)C(O)=O
Show InChI InChI=1S/C11H8O4/c1-6-2-3-9-7(4-6)5-8(10(12)13)11(14)15-9/h2-5H,1H3,(H,12,13)
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5.47E+4n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 6 by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)


Article DOI: 10.1021/jm901287j
BindingDB Entry DOI: 10.7270/Q2MS3TP5
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50303489
PNG
(6-methoxy-2-oxo-2H-chromene-3-carboxylic acid | CH...)
Show SMILES COc1ccc2oc(=O)c(cc2c1)C(O)=O
Show InChI InChI=1S/C11H8O5/c1-15-7-2-3-9-6(4-7)5-8(10(12)13)11(14)16-9/h2-5H,1H3,(H,12,13)
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6.52E+4n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 6 by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)


Article DOI: 10.1021/jm901287j
BindingDB Entry DOI: 10.7270/Q2MS3TP5
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50131066
PNG
(2-Oxo-2H-chromene-3-carboxylic acid | CHEMBL83294)
Show SMILES OC(=O)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C10H6O4/c11-9(12)7-5-6-3-1-2-4-8(6)14-10(7)13/h1-5H,(H,11,12)
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7.63E+4n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 6 by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)


Article DOI: 10.1021/jm901287j
BindingDB Entry DOI: 10.7270/Q2MS3TP5
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50303500
PNG
(7-ethoxy-2H-1-benzopyran-2-one | 7-ethoxycoumarin ...)
Show SMILES CCOc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C11H10O3/c1-2-13-9-5-3-8-4-6-11(12)14-10(8)7-9/h3-7H,2H2,1H3
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8.23E+4n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 6 by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)


Article DOI: 10.1021/jm901287j
BindingDB Entry DOI: 10.7270/Q2MS3TP5
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50378564
PNG
(CHEMBL145781)
Show SMILES O=c1ccc2ccc(OCc3ccccc3)cc2o1
Show InChI InChI=1S/C16H12O3/c17-16-9-7-13-6-8-14(10-15(13)19-16)18-11-12-4-2-1-3-5-12/h1-10H,11H2
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9.31E+4n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 6 by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)


Article DOI: 10.1021/jm901287j
BindingDB Entry DOI: 10.7270/Q2MS3TP5
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50303492
PNG
(2-oxo-2H-thiochromene-3-carboxylic acid | CHEMBL57...)
Show SMILES OC(=O)c1cc2ccccc2sc1=O
Show InChI InChI=1S/C10H6O3S/c11-9(12)7-5-6-3-1-2-4-8(6)14-10(7)13/h1-5H,(H,11,12)
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>5.00E+5n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 6 by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)


Article DOI: 10.1021/jm901287j
BindingDB Entry DOI: 10.7270/Q2MS3TP5
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50022188
PNG
(7-Methoxy-2-oxo-2H-chromene-4-carboxylic acid | CH...)
Show SMILES COc1ccc2c(cc(=O)oc2c1)C(O)=O
Show InChI InChI=1S/C11H8O5/c1-15-6-2-3-7-8(11(13)14)5-10(12)16-9(7)4-6/h2-5H,1H3,(H,13,14)
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>5.00E+5n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 6 by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)


Article DOI: 10.1021/jm901287j
BindingDB Entry DOI: 10.7270/Q2MS3TP5
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50303487
PNG
(7-phenethoxy-2H-chromen-2-one | CHEMBL567544)
Show SMILES O=c1ccc2ccc(CCc3ccccc3)cc2o1
Show InChI InChI=1S/C17H14O2/c18-17-11-10-15-9-8-14(12-16(15)19-17)7-6-13-4-2-1-3-5-13/h1-5,8-12H,6-7H2
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>5.00E+5n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 6 by stopped flow CO2 hydration assay


J Med Chem 53: 335-44 (2010)


Article DOI: 10.1021/jm901287j
BindingDB Entry DOI: 10.7270/Q2MS3TP5
More data for this
Ligand-Target Pair