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PubMed code 28256371

Compile data set for download or QSAR
Found 83 hits of Enzyme Inhibition Constant Data   
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 anhydrases; II & IX


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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PubMed
10n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of ADP-induced human platelet aggregation


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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20n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of recombinant human tumor-associated carbonic anhydrase 9 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testi...


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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21n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase in human umbilical vein endothelial cells


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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30n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of recombinant human tumor-associated carbonic anhydrase 9 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testi...


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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70n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane-associated carbonic anhydrase 4 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to te...


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50235693
PNG
(CHEMBL4067617)
Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(cc4)[N+]([O-])=O)c3c(=O)n12)-c1cccs1
Show InChI InChI=1S/C26H17N7O6S2/c1-14(34)24-30-32(16-8-10-18(11-9-16)41(27,38)39)26-29-23-22(25(35)31(24)26)19(13-20(28-23)21-3-2-12-40-21)15-4-6-17(7-5-15)33(36)37/h2-13H,1H3,(H2,27,38,39)
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160n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Binding affinity against Gamma-aminobutyric acid type B receptor in rat brain synaptosomes after 30 minutes


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50235680
PNG
(CHEMBL4090671)
Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccccc4)c3c(=O)n12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H19ClN6O4S/c1-16(36)26-33-35(20-11-13-21(14-12-20)40(30,38)39)28-32-25-24(27(37)34(26)28)22(17-5-3-2-4-6-17)15-23(31-25)18-7-9-19(29)10-8-18/h2-15H,1H3,(H2,30,38,39)
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180n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of recombinant human tumor-associated carbonic anhydrase 9 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testi...


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50235677
PNG
(CHEMBL4093086)
Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(F)cc4)c3c(=O)n12)-c1cccs1
Show InChI InChI=1S/C26H17FN6O4S2/c1-14(34)24-31-33(17-8-10-18(11-9-17)39(28,36)37)26-30-23-22(25(35)32(24)26)19(15-4-6-16(27)7-5-15)13-20(29-23)21-3-2-12-38-21/h2-13H,1H3,(H2,28,36,37)
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190n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of recombinant human tumor-associated carbonic anhydrase 9 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testi...


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50235693
PNG
(CHEMBL4067617)
Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(cc4)[N+]([O-])=O)c3c(=O)n12)-c1cccs1
Show InChI InChI=1S/C26H17N7O6S2/c1-14(34)24-30-32(16-8-10-18(11-9-16)41(27,38)39)26-29-23-22(25(35)31(24)26)19(13-20(28-23)21-3-2-12-40-21)15-4-6-17(7-5-15)33(36)37/h2-13H,1H3,(H2,27,38,39)
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200n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of ADP-induced human platelet aggregation


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50235694
PNG
(CHEMBL4095288)
Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(F)cc4)c3c(=O)n12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H18ClFN6O4S/c1-15(37)26-34-36(20-10-12-21(13-11-20)41(31,39)40)28-33-25-24(27(38)35(26)28)22(16-4-8-19(30)9-5-16)14-23(32-25)17-2-6-18(29)7-3-17/h2-14H,1H3,(H2,31,39,40)
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250n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of recombinant human tumor-associated carbonic anhydrase 9 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testi...


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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250n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic carbonic anhydrase 1 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by p...


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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290n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of ADP-induced human platelet aggregation


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50235684
PNG
(CHEMBL4100795)
Show SMILES COc1ccc(cc1)-c1cc(nc2nc3n(nc(C(C)=O)n3c(=O)c12)-c1ccc(cc1)S(N)(=O)=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C29H21ClN6O5S/c1-16(37)27-34-36(20-9-13-22(14-10-20)42(31,39)40)29-33-26-25(28(38)35(27)29)23(17-5-11-21(41-2)12-6-17)15-24(32-26)18-3-7-19(30)8-4-18/h3-15H,1-2H3,(H2,31,39,40)
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330n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of recombinant human tumor-associated carbonic anhydrase 9 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testi...


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50235683
PNG
(CHEMBL4062664)
Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(cc4)[N+]([O-])=O)c3c(=O)n12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H18ClN7O6S/c1-15(37)26-33-35(19-10-12-21(13-11-19)43(30,41)42)28-32-25-24(27(38)34(26)28)22(16-4-8-20(9-5-16)36(39)40)14-23(31-25)17-2-6-18(29)7-3-17/h2-14H,1H3,(H2,30,41,42)
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330n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of recombinant human tumor-associated carbonic anhydrase 9 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testi...


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50235677
PNG
(CHEMBL4093086)
Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(F)cc4)c3c(=O)n12)-c1cccs1
Show InChI InChI=1S/C26H17FN6O4S2/c1-14(34)24-31-33(17-8-10-18(11-9-17)39(28,36)37)26-30-23-22(25(35)32(24)26)19(15-4-6-16(27)7-5-15)13-20(29-23)21-3-2-12-38-21/h2-13H,1H3,(H2,28,36,37)
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350n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red ...


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50235690
PNG
(CHEMBL4059980)
Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(Cl)cc4)c3c(=O)n12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H18Cl2N6O4S/c1-15(37)26-34-36(20-10-12-21(13-11-20)41(31,39)40)28-33-25-24(27(38)35(26)28)22(16-2-6-18(29)7-3-16)14-23(32-25)17-4-8-19(30)9-5-17/h2-14H,1H3,(H2,31,39,40)
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350n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of recombinant human tumor-associated carbonic anhydrase 9 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testi...


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50235692
PNG
(CHEMBL4088844)
Show SMILES CCOC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(OC)cc4)c3c(=O)n12)-c1cccs1
Show InChI InChI=1S/C28H22N6O6S2/c1-3-40-27(36)25-32-34(17-8-12-19(13-9-17)42(29,37)38)28-31-24-23(26(35)33(25)28)20(16-6-10-18(39-2)11-7-16)15-21(30-24)22-5-4-14-41-22/h4-15H,3H2,1-2H3,(H2,29,37,38)
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380n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Binding affinity against Gamma-aminobutyric acid type B receptor in rat brain synaptosomes after 30 minutes


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50235687
PNG
(CHEMBL4096540)
Show SMILES CCOC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(Cl)cc4)c3c(=O)n12)-c1cccs1
Show InChI InChI=1S/C27H19ClN6O5S2/c1-2-39-26(36)24-32-34(17-9-11-18(12-10-17)41(29,37)38)27-31-23-22(25(35)33(24)27)19(15-5-7-16(28)8-6-15)14-20(30-23)21-4-3-13-40-21/h3-14H,2H2,1H3,(H2,29,37,38)
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390n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of recombinant human tumor-associated carbonic anhydrase 9 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testi...


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50235688
PNG
(CHEMBL4078512)
Show SMILES COc1ccc(cc1)-c1cc(nc2nc3n(nc(C(C)=O)n3c(=O)c12)-c1ccc(cc1)S(N)(=O)=O)-c1cccs1
Show InChI InChI=1S/C27H20N6O5S2/c1-15(34)25-31-33(17-7-11-19(12-8-17)40(28,36)37)27-30-24-23(26(35)32(25)27)20(16-5-9-18(38-2)10-6-16)14-21(29-24)22-4-3-13-39-22/h3-14H,1-2H3,(H2,28,36,37)
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420n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of recombinant human tumor-associated carbonic anhydrase 9 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testi...


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50235693
PNG
(CHEMBL4067617)
Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(cc4)[N+]([O-])=O)c3c(=O)n12)-c1cccs1
Show InChI InChI=1S/C26H17N7O6S2/c1-14(34)24-30-32(16-8-10-18(11-9-16)41(27,38)39)26-29-23-22(25(35)31(24)26)19(13-20(28-23)21-3-2-12-40-21)15-4-6-17(7-5-15)33(36)37/h2-13H,1H3,(H2,27,38,39)
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500n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red ...


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50235680
PNG
(CHEMBL4090671)
Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccccc4)c3c(=O)n12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H19ClN6O4S/c1-16(36)26-33-35(20-11-13-21(14-12-20)40(30,38)39)28-32-25-24(27(37)34(26)28)22(17-5-3-2-4-6-17)15-23(31-25)18-7-9-19(29)10-8-18/h2-15H,1H3,(H2,30,38,39)
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590n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red ...


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50235692
PNG
(CHEMBL4088844)
Show SMILES CCOC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(OC)cc4)c3c(=O)n12)-c1cccs1
Show InChI InChI=1S/C28H22N6O6S2/c1-3-40-27(36)25-32-34(17-8-12-19(13-9-17)42(29,37)38)28-31-24-23(26(35)33(25)28)20(16-6-10-18(39-2)11-7-16)15-21(30-24)22-5-4-14-41-22/h4-15H,3H2,1-2H3,(H2,29,37,38)
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720n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red ...


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50235689
PNG
(CHEMBL3288908)
Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccccc4)c3c(=O)n12)-c1cccs1
Show InChI InChI=1S/C26H18N6O4S2/c1-15(33)24-30-32(17-9-11-18(12-10-17)38(27,35)36)26-29-23-22(25(34)31(24)26)19(16-6-3-2-4-7-16)14-20(28-23)21-8-5-13-37-21/h2-14H,1H3,(H2,27,35,36)
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730n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red ...


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50235684
PNG
(CHEMBL4100795)
Show SMILES COc1ccc(cc1)-c1cc(nc2nc3n(nc(C(C)=O)n3c(=O)c12)-c1ccc(cc1)S(N)(=O)=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C29H21ClN6O5S/c1-16(37)27-34-36(20-9-13-22(14-10-20)42(31,39)40)29-33-26-25(28(38)35(27)29)23(17-5-11-21(41-2)12-6-17)15-24(32-26)18-3-7-19(30)8-4-18/h3-15H,1-2H3,(H2,31,39,40)
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740n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red ...


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50235692
PNG
(CHEMBL4088844)
Show SMILES CCOC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(OC)cc4)c3c(=O)n12)-c1cccs1
Show InChI InChI=1S/C28H22N6O6S2/c1-3-40-27(36)25-32-34(17-8-12-19(13-9-17)42(29,37)38)28-31-24-23(26(35)33(25)28)20(16-6-10-18(39-2)11-7-16)15-21(30-24)22-5-4-14-41-22/h4-15H,3H2,1-2H3,(H2,29,37,38)
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850n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic carbonic anhydrase 1 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by p...


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50235683
PNG
(CHEMBL4062664)
Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(cc4)[N+]([O-])=O)c3c(=O)n12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H18ClN7O6S/c1-15(37)26-33-35(19-10-12-21(13-11-19)43(30,41)42)28-32-25-24(27(38)34(26)28)22(16-4-8-20(9-5-16)36(39)40)14-23(31-25)17-2-6-18(29)7-3-17/h2-14H,1H3,(H2,30,41,42)
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860n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red ...


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50235676
PNG
(CHEMBL4089713)
Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(Cl)cc4)c3c(=O)n12)-c1cccs1
Show InChI InChI=1S/C26H17ClN6O4S2/c1-14(34)24-31-33(17-8-10-18(11-9-17)39(28,36)37)26-30-23-22(25(35)32(24)26)19(15-4-6-16(27)7-5-15)13-20(29-23)21-3-2-12-38-21/h2-13H,1H3,(H2,28,36,37)
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990n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of recombinant human tumor-associated carbonic anhydrase 9 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testi...


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50235679
PNG
(CHEMBL4066599)
Show SMILES CCOC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(cc4)[N+]([O-])=O)c3c(=O)n12)-c1cccs1
Show InChI InChI=1S/C27H19N7O7S2/c1-2-41-26(36)24-31-33(16-9-11-18(12-10-16)43(28,39)40)27-30-23-22(25(35)32(24)27)19(14-20(29-23)21-4-3-13-42-21)15-5-7-17(8-6-15)34(37)38/h3-14H,2H2,1H3,(H2,28,39,40)
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1.10E+3n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase in human umbilical vein endothelial cells


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50235689
PNG
(CHEMBL3288908)
Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccccc4)c3c(=O)n12)-c1cccs1
Show InChI InChI=1S/C26H18N6O4S2/c1-15(33)24-30-32(17-9-11-18(12-10-17)38(27,35)36)26-29-23-22(25(34)31(24)26)19(16-6-3-2-4-7-16)14-20(28-23)21-8-5-13-37-21/h2-14H,1H3,(H2,27,35,36)
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1.12E+3n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of recombinant human tumor-associated carbonic anhydrase 9 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testi...


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50235694
PNG
(CHEMBL4095288)
Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(F)cc4)c3c(=O)n12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H18ClFN6O4S/c1-15(37)26-34-36(20-10-12-21(13-11-20)41(31,39)40)28-33-25-24(27(38)35(26)28)22(16-4-8-19(30)9-5-16)14-23(32-25)17-2-6-18(29)7-3-17/h2-14H,1H3,(H2,31,39,40)
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1.19E+3n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Binding affinity against Gamma-aminobutyric acid type B receptor in rat brain synaptosomes after 30 minutes


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50235685
PNG
(CHEMBL4065414)
Show SMILES CCOC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccccc4)c3c(=O)n12)-c1cccs1
Show InChI InChI=1S/C27H20N6O5S2/c1-2-38-26(35)24-31-33(17-10-12-18(13-11-17)40(28,36)37)27-30-23-22(25(34)32(24)27)19(16-7-4-3-5-8-16)15-20(29-23)21-9-6-14-39-21/h3-15H,2H2,1H3,(H2,28,36,37)
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1.41E+3n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red ...


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50235682
PNG
(CHEMBL4084349)
Show SMILES CCOC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(OC)cc4)c3c(=O)n12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C30H23ClN6O6S/c1-3-43-29(39)27-35-37(20-10-14-22(15-11-20)44(32,40)41)30-34-26-25(28(38)36(27)30)23(17-6-12-21(42-2)13-7-17)16-24(33-26)18-4-8-19(31)9-5-18/h4-16H,3H2,1-2H3,(H2,32,40,41)
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1.45E+3n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of recombinant human tumor-associated carbonic anhydrase 9 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testi...


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50235675
PNG
(CHEMBL4074030)
Show SMILES CCOC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(Cl)cc4)c3c(=O)n12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C29H20Cl2N6O5S/c1-2-42-28(39)26-35-37(20-11-13-21(14-12-20)43(32,40)41)29-34-25-24(27(38)36(26)29)22(16-3-7-18(30)8-4-16)15-23(33-25)17-5-9-19(31)10-6-17/h3-15H,2H2,1H3,(H2,32,40,41)
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1.46E+3n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase in human umbilical vein endothelial cells


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50235678
PNG
(CHEMBL4061590)
Show SMILES CCOC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(F)cc4)c3c(=O)n12)-c1cccs1
Show InChI InChI=1S/C27H19FN6O5S2/c1-2-39-26(36)24-32-34(17-9-11-18(12-10-17)41(29,37)38)27-31-23-22(25(35)33(24)27)19(15-5-7-16(28)8-6-15)14-20(30-23)21-4-3-13-40-21/h3-14H,2H2,1H3,(H2,29,37,38)
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1.48E+3n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red ...


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50235682
PNG
(CHEMBL4084349)
Show SMILES CCOC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(OC)cc4)c3c(=O)n12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C30H23ClN6O6S/c1-3-43-29(39)27-35-37(20-10-14-22(15-11-20)44(32,40)41)30-34-26-25(28(38)36(27)30)23(17-6-12-21(42-2)13-7-17)16-24(33-26)18-4-8-19(31)9-5-18/h4-16H,3H2,1-2H3,(H2,32,40,41)
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1.58E+3n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red ...


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50235678
PNG
(CHEMBL4061590)
Show SMILES CCOC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(F)cc4)c3c(=O)n12)-c1cccs1
Show InChI InChI=1S/C27H19FN6O5S2/c1-2-39-26(36)24-32-34(17-9-11-18(12-10-17)41(29,37)38)27-31-23-22(25(35)33(24)27)19(15-5-7-16(28)8-6-15)14-20(30-23)21-4-3-13-40-21/h3-14H,2H2,1H3,(H2,29,37,38)
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1.62E+3n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of recombinant human tumor-associated carbonic anhydrase 9 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testi...


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50235687
PNG
(CHEMBL4096540)
Show SMILES CCOC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(Cl)cc4)c3c(=O)n12)-c1cccs1
Show InChI InChI=1S/C27H19ClN6O5S2/c1-2-39-26(36)24-32-34(17-9-11-18(12-10-17)41(29,37)38)27-31-23-22(25(35)33(24)27)19(15-5-7-16(28)8-6-15)14-20(30-23)21-4-3-13-40-21/h3-14H,2H2,1H3,(H2,29,37,38)
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1.71E+3n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of ADP-induced human platelet aggregation


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50235679
PNG
(CHEMBL4066599)
Show SMILES CCOC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(cc4)[N+]([O-])=O)c3c(=O)n12)-c1cccs1
Show InChI InChI=1S/C27H19N7O7S2/c1-2-41-26(36)24-31-33(16-9-11-18(12-10-16)43(28,39)40)27-30-23-22(25(35)32(24)27)19(14-20(29-23)21-4-3-13-42-21)15-5-7-17(8-6-15)34(37)38/h3-14H,2H2,1H3,(H2,28,39,40)
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1.75E+3n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of human platelet adhesion to fibrinogen


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50235685
PNG
(CHEMBL4065414)
Show SMILES CCOC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccccc4)c3c(=O)n12)-c1cccs1
Show InChI InChI=1S/C27H20N6O5S2/c1-2-38-26(35)24-31-33(17-10-12-18(13-11-17)40(28,36)37)27-30-23-22(25(34)32(24)27)19(16-7-4-3-5-8-16)15-20(29-23)21-9-6-14-39-21/h3-15H,2H2,1H3,(H2,28,36,37)
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1.90E+3n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of endothelin-converting enzyme in human umbilical vein endothelial cells


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50235690
PNG
(CHEMBL4059980)
Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(Cl)cc4)c3c(=O)n12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H18Cl2N6O4S/c1-15(37)26-34-36(20-10-12-21(13-11-20)41(31,39)40)28-33-25-24(27(38)35(26)28)22(16-2-6-18(29)7-3-16)14-23(32-25)17-4-8-19(30)9-5-17/h2-14H,1H3,(H2,31,39,40)
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2.03E+3n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of ADP-induced human platelet aggregation


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50235688
PNG
(CHEMBL4078512)
Show SMILES COc1ccc(cc1)-c1cc(nc2nc3n(nc(C(C)=O)n3c(=O)c12)-c1ccc(cc1)S(N)(=O)=O)-c1cccs1
Show InChI InChI=1S/C27H20N6O5S2/c1-15(34)25-31-33(17-7-11-19(12-8-17)40(28,36)37)27-30-24-23(26(35)32(25)27)20(16-5-9-18(38-2)10-6-16)14-21(29-24)22-4-3-13-39-22/h3-14H,1-2H3,(H2,28,36,37)
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2.23E+3n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of ADP-induced human platelet aggregation


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50235677
PNG
(CHEMBL4093086)
Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(F)cc4)c3c(=O)n12)-c1cccs1
Show InChI InChI=1S/C26H17FN6O4S2/c1-14(34)24-31-33(17-8-10-18(11-9-17)39(28,36)37)26-30-23-22(25(35)32(24)26)19(15-4-6-16(27)7-5-15)13-20(29-23)21-3-2-12-38-21/h2-13H,1H3,(H2,28,36,37)
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2.45E+3n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane-associated carbonic anhydrase 4 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to te...


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50235686
PNG
(CHEMBL4103258)
Show SMILES CCOC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(cc4)[N+]([O-])=O)c3c(=O)n12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C29H20ClN7O7S/c1-2-44-28(39)26-34-36(19-11-13-21(14-12-19)45(31,42)43)29-33-25-24(27(38)35(26)29)22(16-5-9-20(10-6-16)37(40)41)15-23(32-25)17-3-7-18(30)8-4-17/h3-15H,2H2,1H3,(H2,31,42,43)
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2.46E+3n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of recombinant human tumor-associated carbonic anhydrase 9 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testi...


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50235676
PNG
(CHEMBL4089713)
Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(Cl)cc4)c3c(=O)n12)-c1cccs1
Show InChI InChI=1S/C26H17ClN6O4S2/c1-14(34)24-31-33(17-8-10-18(11-9-17)39(28,36)37)26-30-23-22(25(35)32(24)26)19(15-4-6-16(27)7-5-15)13-20(29-23)21-3-2-12-38-21/h2-13H,1H3,(H2,28,36,37)
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2.52E+3n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase in human umbilical vein endothelial cells


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50235687
PNG
(CHEMBL4096540)
Show SMILES CCOC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(Cl)cc4)c3c(=O)n12)-c1cccs1
Show InChI InChI=1S/C27H19ClN6O5S2/c1-2-39-26(36)24-32-34(17-9-11-18(12-10-17)41(29,37)38)27-31-23-22(25(35)33(24)27)19(15-5-7-16(28)8-6-15)14-20(30-23)21-4-3-13-40-21/h3-14H,2H2,1H3,(H2,29,37,38)
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2.64E+3n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic carbonic anhydrase 1 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by p...


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50235677
PNG
(CHEMBL4093086)
Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(F)cc4)c3c(=O)n12)-c1cccs1
Show InChI InChI=1S/C26H17FN6O4S2/c1-14(34)24-31-33(17-8-10-18(11-9-17)39(28,36)37)26-30-23-22(25(35)32(24)26)19(15-4-6-16(27)7-5-15)13-20(29-23)21-3-2-12-38-21/h2-13H,1H3,(H2,28,36,37)
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2.65E+3n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic carbonic anhydrase 1 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by p...


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50235683
PNG
(CHEMBL4062664)
Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(cc4)[N+]([O-])=O)c3c(=O)n12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H18ClN7O6S/c1-15(37)26-33-35(19-10-12-21(13-11-19)43(30,41)42)28-32-25-24(27(38)34(26)28)22(16-4-8-20(9-5-16)36(39)40)14-23(31-25)17-2-6-18(29)7-3-17/h2-14H,1H3,(H2,30,41,42)
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2.92E+3n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane-associated carbonic anhydrase 4 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to te...


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50235679
PNG
(CHEMBL4066599)
Show SMILES CCOC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(cc4)[N+]([O-])=O)c3c(=O)n12)-c1cccs1
Show InChI InChI=1S/C27H19N7O7S2/c1-2-41-26(36)24-31-33(16-9-11-18(12-10-16)43(28,39)40)27-30-23-22(25(35)32(24)27)19(14-20(29-23)21-4-3-13-42-21)15-5-7-17(8-6-15)34(37)38/h3-14H,2H2,1H3,(H2,28,39,40)
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2.98E+3n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane-associated carbonic anhydrase 4 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to te...


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50235688
PNG
(CHEMBL4078512)
Show SMILES COc1ccc(cc1)-c1cc(nc2nc3n(nc(C(C)=O)n3c(=O)c12)-c1ccc(cc1)S(N)(=O)=O)-c1cccs1
Show InChI InChI=1S/C27H20N6O5S2/c1-15(34)25-31-33(17-7-11-19(12-8-17)40(28,36)37)27-30-24-23(26(35)32(25)27)20(16-5-9-18(38-2)10-6-16)14-21(29-24)22-4-3-13-39-22/h3-14H,1-2H3,(H2,28,36,37)
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2.98E+3n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red ...


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50235680
PNG
(CHEMBL4090671)
Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccccc4)c3c(=O)n12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H19ClN6O4S/c1-16(36)26-33-35(20-11-13-21(14-12-20)40(30,38)39)28-32-25-24(27(37)34(26)28)22(17-5-3-2-4-6-17)15-23(31-25)18-7-9-19(29)10-8-18/h2-15H,1H3,(H2,30,38,39)
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3.00E+3n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of ADP-induced human platelet aggregation


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50235684
PNG
(CHEMBL4100795)
Show SMILES COc1ccc(cc1)-c1cc(nc2nc3n(nc(C(C)=O)n3c(=O)c12)-c1ccc(cc1)S(N)(=O)=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C29H21ClN6O5S/c1-16(37)27-34-36(20-9-13-22(14-10-20)42(31,39)40)29-33-26-25(28(38)35(27)29)23(17-5-11-21(41-2)12-6-17)15-24(32-26)18-3-7-19(30)8-4-18/h3-15H,1-2H3,(H2,31,39,40)
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3.01E+3n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of ADP-induced human platelet aggregation


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50235693
PNG
(CHEMBL4067617)
Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(cc4)[N+]([O-])=O)c3c(=O)n12)-c1cccs1
Show InChI InChI=1S/C26H17N7O6S2/c1-14(34)24-30-32(16-8-10-18(11-9-16)41(27,38)39)26-29-23-22(25(35)31(24)26)19(13-20(28-23)21-3-2-12-40-21)15-4-6-17(7-5-15)33(36)37/h2-13H,1H3,(H2,27,38,39)
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3.02E+3n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic carbonic anhydrase 1 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by p...


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50235686
PNG
(CHEMBL4103258)
Show SMILES CCOC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(cc4)[N+]([O-])=O)c3c(=O)n12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C29H20ClN7O7S/c1-2-44-28(39)26-34-36(19-11-13-21(14-12-19)45(31,42)43)29-33-25-24(27(38)35(26)29)22(16-5-9-20(10-6-16)37(40)41)15-23(32-25)17-3-7-18(30)8-4-17/h3-15H,2H2,1H3,(H2,31,42,43)
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3.05E+3n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red ...


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50235691
PNG
(CHEMBL4088226)
Show SMILES CCOC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(F)cc4)c3c(=O)n12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C29H20ClFN6O5S/c1-2-42-28(39)26-35-37(20-11-13-21(14-12-20)43(32,40)41)29-34-25-24(27(38)36(26)29)22(16-5-9-19(31)10-6-16)15-23(33-25)17-3-7-18(30)8-4-17/h3-15H,2H2,1H3,(H2,32,40,41)
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3.24E+3n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of recombinant human tumor-associated carbonic anhydrase 9 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testi...


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50235681
PNG
(CHEMBL4060983)
Show SMILES CCOC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccccc4)c3c(=O)n12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C29H21ClN6O5S/c1-2-41-28(38)26-34-36(20-12-14-21(15-13-20)42(31,39)40)29-33-25-24(27(37)35(26)29)22(17-6-4-3-5-7-17)16-23(32-25)18-8-10-19(30)11-9-18/h3-16H,2H2,1H3,(H2,31,39,40)
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3.26E+3n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of recombinant human tumor-associated carbonic anhydrase 9 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testi...


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50235676
PNG
(CHEMBL4089713)
Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(Cl)cc4)c3c(=O)n12)-c1cccs1
Show InChI InChI=1S/C26H17ClN6O4S2/c1-14(34)24-31-33(17-8-10-18(11-9-17)39(28,36)37)26-30-23-22(25(35)32(24)26)19(15-4-6-16(27)7-5-15)13-20(29-23)21-3-2-12-38-21/h2-13H,1H3,(H2,28,36,37)
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3.43E+3n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by phenol red ...


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50235681
PNG
(CHEMBL4060983)
Show SMILES CCOC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccccc4)c3c(=O)n12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C29H21ClN6O5S/c1-2-41-28(38)26-34-36(20-12-14-21(15-13-20)42(31,39)40)29-33-25-24(27(37)35(26)29)22(17-6-4-3-5-7-17)16-23(32-25)18-8-10-19(30)11-9-18/h3-16H,2H2,1H3,(H2,31,39,40)
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3.54E+3n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Binding affinity against Gamma-aminobutyric acid type B receptor in rat brain synaptosomes after 30 minutes


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50235690
PNG
(CHEMBL4059980)
Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(Cl)cc4)c3c(=O)n12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H18Cl2N6O4S/c1-15(37)26-34-36(20-10-12-21(13-11-20)41(31,39)40)28-33-25-24(27(38)35(26)28)22(16-2-6-18(29)7-3-16)14-23(32-25)17-4-8-19(30)9-5-17/h2-14H,1H3,(H2,31,39,40)
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3.56E+3n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of ADP-induced human platelet aggregation


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50235686
PNG
(CHEMBL4103258)
Show SMILES CCOC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(cc4)[N+]([O-])=O)c3c(=O)n12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C29H20ClN7O7S/c1-2-44-28(39)26-34-36(19-11-13-21(14-12-19)45(31,42)43)29-33-25-24(27(38)35(26)29)22(16-5-9-20(10-6-16)37(40)41)15-23(32-25)17-3-7-18(30)8-4-17/h3-15H,2H2,1H3,(H2,31,42,43)
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3.56E+3n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane-associated carbonic anhydrase 4 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to te...


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50235694
PNG
(CHEMBL4095288)
Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(F)cc4)c3c(=O)n12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H18ClFN6O4S/c1-15(37)26-34-36(20-10-12-21(13-11-20)41(31,39)40)28-33-25-24(27(38)35(26)28)22(16-4-8-19(30)9-5-16)14-23(32-25)17-2-6-18(29)7-3-17/h2-14H,1H3,(H2,31,39,40)
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3.58E+3n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane-associated carbonic anhydrase 4 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to te...


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50235675
PNG
(CHEMBL4074030)
Show SMILES CCOC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(Cl)cc4)c3c(=O)n12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C29H20Cl2N6O5S/c1-2-42-28(39)26-35-37(20-11-13-21(14-12-20)43(32,40)41)29-34-25-24(27(38)36(26)29)22(16-3-7-18(30)8-4-16)15-23(33-25)17-5-9-19(31)10-6-17/h3-15H,2H2,1H3,(H2,32,40,41)
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3.65E+3n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of neutral endopeptidase in human umbilical vein endothelial cells


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50235680
PNG
(CHEMBL4090671)
Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccccc4)c3c(=O)n12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H19ClN6O4S/c1-16(36)26-33-35(20-11-13-21(14-12-20)40(30,38)39)28-32-25-24(27(37)34(26)28)22(17-5-3-2-4-6-17)15-23(31-25)18-7-9-19(29)10-8-18/h2-15H,1H3,(H2,30,38,39)
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3.79E+3n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic carbonic anhydrase 1 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by p...


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50235678
PNG
(CHEMBL4061590)
Show SMILES CCOC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(F)cc4)c3c(=O)n12)-c1cccs1
Show InChI InChI=1S/C27H19FN6O5S2/c1-2-39-26(36)24-32-34(17-9-11-18(12-10-17)41(29,37)38)27-31-23-22(25(35)33(24)27)19(15-5-7-16(28)8-6-15)14-20(30-23)21-4-3-13-40-21/h3-14H,2H2,1H3,(H2,29,37,38)
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3.96E+3n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of endothelin-converting enzyme in human umbilical vein endothelial cells


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50235692
PNG
(CHEMBL4088844)
Show SMILES CCOC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(OC)cc4)c3c(=O)n12)-c1cccs1
Show InChI InChI=1S/C28H22N6O6S2/c1-3-40-27(36)25-32-34(17-8-12-19(13-9-17)42(29,37)38)28-31-24-23(26(35)33(25)28)20(16-6-10-18(39-2)11-7-16)15-21(30-24)22-5-4-14-41-22/h4-15H,3H2,1-2H3,(H2,29,37,38)
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4.25E+3n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of human platelet adhesion to fibrinogen


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50235687
PNG
(CHEMBL4096540)
Show SMILES CCOC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(Cl)cc4)c3c(=O)n12)-c1cccs1
Show InChI InChI=1S/C27H19ClN6O5S2/c1-2-39-26(36)24-32-34(17-9-11-18(12-10-17)41(29,37)38)27-31-23-22(25(35)33(24)27)19(15-5-7-16(28)8-6-15)14-20(30-23)21-4-3-13-40-21/h3-14H,2H2,1H3,(H2,29,37,38)
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4.33E+3n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of human platelet adhesion to fibrinogen


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50235681
PNG
(CHEMBL4060983)
Show SMILES CCOC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccccc4)c3c(=O)n12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C29H21ClN6O5S/c1-2-41-28(38)26-34-36(20-12-14-21(15-13-20)42(31,39)40)29-33-25-24(27(37)35(26)29)22(17-6-4-3-5-7-17)16-23(32-25)18-8-10-19(30)11-9-18/h3-16H,2H2,1H3,(H2,31,39,40)
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4.62E+3n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane-associated carbonic anhydrase 4 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to te...


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50235691
PNG
(CHEMBL4088226)
Show SMILES CCOC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(F)cc4)c3c(=O)n12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C29H20ClFN6O5S/c1-2-42-28(39)26-35-37(20-11-13-21(14-12-20)43(32,40)41)29-34-25-24(27(38)36(26)29)22(16-5-9-19(31)10-6-16)15-23(33-25)17-3-7-18(30)8-4-17/h3-15H,2H2,1H3,(H2,32,40,41)
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4.66E+3n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Binding affinity against Gamma-aminobutyric acid type B receptor in rat brain synaptosomes after 30 minutes


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50235675
PNG
(CHEMBL4074030)
Show SMILES CCOC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(Cl)cc4)c3c(=O)n12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C29H20Cl2N6O5S/c1-2-42-28(39)26-35-37(20-11-13-21(14-12-20)43(32,40)41)29-34-25-24(27(38)36(26)29)22(16-3-7-18(30)8-4-16)15-23(33-25)17-5-9-19(31)10-6-17/h3-15H,2H2,1H3,(H2,32,40,41)
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4.70E+3n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of ADP-induced human platelet aggregation


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50235689
PNG
(CHEMBL3288908)
Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccccc4)c3c(=O)n12)-c1cccs1
Show InChI InChI=1S/C26H18N6O4S2/c1-15(33)24-30-32(17-9-11-18(12-10-17)38(27,35)36)26-29-23-22(25(34)31(24)26)19(16-6-3-2-4-7-16)14-20(28-23)21-8-5-13-37-21/h2-14H,1H3,(H2,27,35,36)
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4.79E+3n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane-associated carbonic anhydrase 4 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to te...


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50235691
PNG
(CHEMBL4088226)
Show SMILES CCOC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(F)cc4)c3c(=O)n12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C29H20ClFN6O5S/c1-2-42-28(39)26-35-37(20-11-13-21(14-12-20)43(32,40)41)29-34-25-24(27(38)36(26)29)22(16-5-9-19(31)10-6-16)15-23(33-25)17-3-7-18(30)8-4-17/h3-15H,2H2,1H3,(H2,32,40,41)
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4.90E+3n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of recombinant human membrane-associated carbonic anhydrase 4 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to te...


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50235684
PNG
(CHEMBL4100795)
Show SMILES COc1ccc(cc1)-c1cc(nc2nc3n(nc(C(C)=O)n3c(=O)c12)-c1ccc(cc1)S(N)(=O)=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C29H21ClN6O5S/c1-16(37)27-34-36(20-9-13-22(14-10-20)42(31,39)40)29-33-26-25(28(38)35(27)29)23(17-5-11-21(41-2)12-6-17)15-24(32-26)18-3-7-19(30)8-4-18/h3-15H,1-2H3,(H2,31,39,40)
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5.50E+3n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic carbonic anhydrase 1 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by p...


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50235683
PNG
(CHEMBL4062664)
Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(cc4)[N+]([O-])=O)c3c(=O)n12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H18ClN7O6S/c1-15(37)26-33-35(19-10-12-21(13-11-19)43(30,41)42)28-32-25-24(27(38)34(26)28)22(16-4-8-20(9-5-16)36(39)40)14-23(31-25)17-2-6-18(29)7-3-17/h2-14H,1H3,(H2,30,41,42)
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5.52E+3n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic carbonic anhydrase 1 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by p...


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50235694
PNG
(CHEMBL4095288)
Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(F)cc4)c3c(=O)n12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H18ClFN6O4S/c1-15(37)26-34-36(20-10-12-21(13-11-20)41(31,39)40)28-33-25-24(27(38)35(26)28)22(16-4-8-19(30)9-5-16)14-23(32-25)17-2-6-18(29)7-3-17/h2-14H,1H3,(H2,31,39,40)
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6.64E+3n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic carbonic anhydrase 1 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by p...


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50235689
PNG
(CHEMBL3288908)
Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccccc4)c3c(=O)n12)-c1cccs1
Show InChI InChI=1S/C26H18N6O4S2/c1-15(33)24-30-32(17-9-11-18(12-10-17)38(27,35)36)26-29-23-22(25(34)31(24)26)19(16-6-3-2-4-7-16)14-20(28-23)21-8-5-13-37-21/h2-14H,1H3,(H2,27,35,36)
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6.78E+3n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of human platelet adhesion to fibrinogen


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50235685
PNG
(CHEMBL4065414)
Show SMILES CCOC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccccc4)c3c(=O)n12)-c1cccs1
Show InChI InChI=1S/C27H20N6O5S2/c1-2-38-26(35)24-31-33(17-10-12-18(13-11-17)40(28,36)37)27-30-23-22(25(34)32(24)27)19(16-7-4-3-5-8-16)15-20(29-23)21-9-6-14-39-21/h3-15H,2H2,1H3,(H2,28,36,37)
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6.82E+3n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of human platelet adhesion to fibrinogen


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50235686
PNG
(CHEMBL4103258)
Show SMILES CCOC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(cc4)[N+]([O-])=O)c3c(=O)n12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C29H20ClN7O7S/c1-2-44-28(39)26-34-36(19-11-13-21(14-12-19)45(31,42)43)29-33-25-24(27(38)35(26)29)22(16-5-9-20(10-6-16)37(40)41)15-23(32-25)17-3-7-18(30)8-4-17/h3-15H,2H2,1H3,(H2,31,42,43)
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7.29E+3n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of endothelin-converting enzyme in human umbilical vein endothelial cells


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50235682
PNG
(CHEMBL4084349)
Show SMILES CCOC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(OC)cc4)c3c(=O)n12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C30H23ClN6O6S/c1-3-43-29(39)27-35-37(20-10-14-22(15-11-20)44(32,40)41)30-34-26-25(28(38)36(27)30)23(17-6-12-21(42-2)13-7-17)16-24(33-26)18-4-8-19(31)9-5-18/h4-16H,3H2,1-2H3,(H2,32,40,41)
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7.37E+3n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic carbonic anhydrase 1 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by p...


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50235690
PNG
(CHEMBL4059980)
Show SMILES CC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(Cl)cc4)c3c(=O)n12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H18Cl2N6O4S/c1-15(37)26-34-36(20-10-12-21(13-11-20)41(31,39)40)28-33-25-24(27(38)35(26)28)22(16-2-6-18(29)7-3-16)14-23(32-25)17-4-8-19(30)9-5-17/h2-14H,1H3,(H2,31,39,40)
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7.42E+3n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic carbonic anhydrase 1 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by p...


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50235679
PNG
(CHEMBL4066599)
Show SMILES CCOC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(cc4)[N+]([O-])=O)c3c(=O)n12)-c1cccs1
Show InChI InChI=1S/C27H19N7O7S2/c1-2-41-26(36)24-31-33(16-9-11-18(12-10-16)43(28,39)40)27-30-23-22(25(35)32(24)27)19(14-20(29-23)21-4-3-13-42-21)15-5-7-17(8-6-15)34(37)38/h3-14H,2H2,1H3,(H2,28,39,40)
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8.71E+3n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Binding affinity against Gamma-aminobutyric acid type B receptor in rat brain synaptosomes after 30 minutes


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50235688
PNG
(CHEMBL4078512)
Show SMILES COc1ccc(cc1)-c1cc(nc2nc3n(nc(C(C)=O)n3c(=O)c12)-c1ccc(cc1)S(N)(=O)=O)-c1cccs1
Show InChI InChI=1S/C27H20N6O5S2/c1-15(34)25-31-33(17-7-11-19(12-8-17)40(28,36)37)27-30-24-23(26(35)32(25)27)20(16-5-9-18(38-2)10-6-16)14-21(29-24)22-4-3-13-39-22/h3-14H,1-2H3,(H2,28,36,37)
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9.04E+3n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of ADP-induced human platelet aggregation


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50235675
PNG
(CHEMBL4074030)
Show SMILES CCOC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(Cl)cc4)c3c(=O)n12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C29H20Cl2N6O5S/c1-2-42-28(39)26-35-37(20-11-13-21(14-12-20)43(32,40)41)29-34-25-24(27(38)36(26)29)22(16-3-7-18(30)8-4-16)15-23(33-25)17-5-9-19(31)10-6-17/h3-15H,2H2,1H3,(H2,32,40,41)
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9.16E+3n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic carbonic anhydrase 1 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by p...


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50235691
PNG
(CHEMBL4088226)
Show SMILES CCOC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2nc3nc(cc(-c4ccc(F)cc4)c3c(=O)n12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C29H20ClFN6O5S/c1-2-42-28(39)26-35-37(20-11-13-21(14-12-20)43(32,40)41)29-34-25-24(27(38)36(26)29)22(16-5-9-19(31)10-6-16)15-23(33-25)17-3-7-18(30)8-4-17/h3-15H,2H2,1H3,(H2,32,40,41)
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9.35E+3n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of ADP-induced human platelet aggregation


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cytosolic carbonic anhydrase 1 assessed as inhibition of CO2 hydration preincubated for 15 mins prior to testing by p...


Bioorg Med Chem 25: 2210-2217 (2017)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%