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Compile Data Set for Download or QSAR

Found 171 hits with Last Name = 'ghorab' and Initial = 'mm'   
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 12


(Homo sapiens (Human))
BDBM50028553
PNG
(CHEMBL3342492)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)Nc2c(C#N)c(cn2-c2ccc(cc2)S(N)(=O)=O)-c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C24H19BrN6O4S3/c25-16-3-1-15(2-4-16)22-14-31(18-7-11-20(12-8-18)38(28,34)35)23(21(22)13-26)30-24(36)29-17-5-9-19(10-6-17)37(27,32)33/h1-12,14H,(H2,27,32,33)(H2,28,34,35)(H2,29,30,36)
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0.670n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50028555
PNG
(CHEMBL3342494)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(c(C#N)c1NS(=O)(=O)c1ccccc1)-c1ccc(Br)cc1
Show InChI InChI=1S/C23H17BrN4O4S2/c24-17-8-6-16(7-9-17)22-15-28(18-10-12-19(13-11-18)33(26,29)30)23(21(22)14-25)27-34(31,32)20-4-2-1-3-5-20/h1-13,15,27H,(H2,26,29,30)
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0.680n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50028554
PNG
(CHEMBL3342493)
Show SMILES Cc1ccc(cc1)-n1c(=S)[nH]c2n(cc(-c3ccc(Br)cc3)c2c1=N)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C25H20BrN5O2S2/c1-15-2-8-19(9-3-15)31-23(27)22-21(16-4-6-17(26)7-5-16)14-30(24(22)29-25(31)34)18-10-12-20(13-11-18)35(28,32)33/h2-14,27H,1H3,(H,29,34)(H2,28,32,33)
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0.690n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50022103
PNG
(CHEMBL3298839)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(-c2ccc(Br)cc2)c2c1ncn1nc3c(nc4ccccc34)nc21
Show InChI InChI=1S/C26H16BrN7O2S/c27-16-7-5-15(6-8-16)20-13-33(17-9-11-18(12-10-17)37(28,35)36)25-22(20)26-31-24-23(32-34(26)14-29-25)19-3-1-2-4-21(19)30-24/h1-14H,(H2,28,35,36)
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0.720n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 22: 3684-95 (2014)


Article DOI: 10.1016/j.bmc.2014.05.009
BindingDB Entry DOI: 10.7270/Q2N87CBZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50022089
PNG
(CHEMBL3298343)
Show SMILES Nc1c(C#N)c(cn1-c1ccc(cc1)S(N)(=O)=O)-c1ccc(Br)cc1
Show InChI InChI=1S/C17H13BrN4O2S/c18-12-3-1-11(2-4-12)16-10-22(17(20)15(16)9-19)13-5-7-14(8-6-13)25(21,23)24/h1-8,10H,20H2,(H2,21,23,24)
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0.740n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 22: 3684-95 (2014)


Article DOI: 10.1016/j.bmc.2014.05.009
BindingDB Entry DOI: 10.7270/Q2N87CBZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50022089
PNG
(CHEMBL3298343)
Show SMILES Nc1c(C#N)c(cn1-c1ccc(cc1)S(N)(=O)=O)-c1ccc(Br)cc1
Show InChI InChI=1S/C17H13BrN4O2S/c18-12-3-1-11(2-4-12)16-10-22(17(20)15(16)9-19)13-5-7-14(8-6-13)25(21,23)24/h1-8,10H,20H2,(H2,21,23,24)
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0.740n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50022098
PNG
(CHEMBL3298352)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(c2c1N=CN1NC(=O)CN=C21)-c1ccc(Br)cc1 |c:17,t:24|
Show InChI InChI=1S/C20H15BrN6O3S/c21-13-3-1-12(2-4-13)16-10-26(14-5-7-15(8-6-14)31(22,29)30)19-18(16)20-23-9-17(28)25-27(20)11-24-19/h1-8,10-11H,9H2,(H,25,28)(H2,22,29,30)
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0.760n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 22: 3684-95 (2014)


Article DOI: 10.1016/j.bmc.2014.05.009
BindingDB Entry DOI: 10.7270/Q2N87CBZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50028552
PNG
(CHEMBL3342491)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(c(C#N)c1NC(=S)Nc1ccc(I)cc1)-c1ccc(Br)cc1
Show InChI InChI=1S/C24H17BrIN5O2S2/c25-16-3-1-15(2-4-16)22-14-31(19-9-11-20(12-10-19)35(28,32)33)23(21(22)13-27)30-24(34)29-18-7-5-17(26)6-8-18/h1-12,14H,(H2,28,32,33)(H2,29,30,34)
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0.810n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50022104
PNG
(CHEMBL3298840)
Show SMILES CC(=O)N1C(=O)\C(=N/n2cnc3n(cc(-c4ccc(Br)cc4)c3c2=N)-c2ccc(cc2)S(N)(=O)=O)c2ccccc12
Show InChI InChI=1S/C28H20BrN7O4S/c1-16(37)36-23-5-3-2-4-21(23)25(28(36)38)33-35-15-32-27-24(26(35)30)22(17-6-8-18(29)9-7-17)14-34(27)19-10-12-20(13-11-19)41(31,39)40/h2-15,30H,1H3,(H2,31,39,40)/b30-26?,33-25-
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0.810n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 22: 3684-95 (2014)


Article DOI: 10.1016/j.bmc.2014.05.009
BindingDB Entry DOI: 10.7270/Q2N87CBZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50022102
PNG
(CHEMBL3298838)
Show SMILES CCOC(=O)C1=C(N)N=C2N(C=Nc3c2c(cn3-c2ccc(cc2)S(N)(=O)=O)-c2ccc(Br)cc2)N=C1 |c:5,8,11,39|
Show InChI InChI=1S/C24H20BrN7O4S/c1-2-36-24(33)18-11-29-32-13-28-22-20(23(32)30-21(18)26)19(14-3-5-15(25)6-4-14)12-31(22)16-7-9-17(10-8-16)37(27,34)35/h3-13H,2,26H2,1H3,(H2,27,34,35)
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0.830n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 22: 3684-95 (2014)


Article DOI: 10.1016/j.bmc.2014.05.009
BindingDB Entry DOI: 10.7270/Q2N87CBZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50022101
PNG
(CHEMBL3298355)
Show SMILES NC1=C(C=NN2C=Nc3c(c(cn3-c3ccc(cc3)S(N)(=O)=O)-c3ccc(Br)cc3)C2=N1)C#N |c:3,6,34,t:1|
Show InChI InChI=1S/C22H15BrN8O2S/c23-15-3-1-13(2-4-15)18-11-30(16-5-7-17(8-6-16)34(26,32)33)21-19(18)22-29-20(25)14(9-24)10-28-31(22)12-27-21/h1-8,10-12H,25H2,(H2,26,32,33)
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0.900n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 22: 3684-95 (2014)


Article DOI: 10.1016/j.bmc.2014.05.009
BindingDB Entry DOI: 10.7270/Q2N87CBZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50022099
PNG
(CHEMBL3298353)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(-c2ccc(Br)cc2)c2c1ncn1[nH]c(=O)c(=O)nc21
Show InChI InChI=1S/C20H13BrN6O4S/c21-12-3-1-11(2-4-12)15-9-26(13-5-7-14(8-6-13)32(22,30)31)17-16(15)18-24-19(28)20(29)25-27(18)10-23-17/h1-10H,(H,25,29)(H2,22,30,31)
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0.912n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 22: 3684-95 (2014)


Article DOI: 10.1016/j.bmc.2014.05.009
BindingDB Entry DOI: 10.7270/Q2N87CBZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50022105
PNG
(CHEMBL3297802)
Show SMILES C\C(CC(=O)c1ccccc1)=N\n1cnc2n(cc(-c3ccc(Br)cc3)c2c1=N)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C28H23BrN6O3S/c1-18(15-25(36)20-5-3-2-4-6-20)33-35-17-32-28-26(27(35)30)24(19-7-9-21(29)10-8-19)16-34(28)22-11-13-23(14-12-22)39(31,37)38/h2-14,16-17,30H,15H2,1H3,(H2,31,37,38)/b30-27?,33-18-
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0.940n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 22: 3684-95 (2014)


Article DOI: 10.1016/j.bmc.2014.05.009
BindingDB Entry DOI: 10.7270/Q2N87CBZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50028551
PNG
(CHEMBL3342490)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(c(C#N)c1NC(=S)Nc1ccc(Br)cc1)-c1ccc(Br)cc1
Show InChI InChI=1S/C24H17Br2N5O2S2/c25-16-3-1-15(2-4-16)22-14-31(19-9-11-20(12-10-19)35(28,32)33)23(21(22)13-27)30-24(34)29-18-7-5-17(26)6-8-18/h1-12,14H,(H2,28,32,33)(H2,29,30,34)
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0.950n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50028543
PNG
(CHEMBL3342489)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(c(C#N)c1NC(=S)Nc1ccc(cc1)[N+]([O-])=O)-c1ccc(Br)cc1
Show InChI InChI=1S/C24H17BrN6O4S2/c25-16-3-1-15(2-4-16)22-14-30(18-9-11-20(12-10-18)37(27,34)35)23(21(22)13-26)29-24(36)28-17-5-7-19(8-6-17)31(32)33/h1-12,14H,(H2,27,34,35)(H2,28,29,36)
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0.960n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50022092
PNG
(CHEMBL3298346)
Show SMILES Nc1nn2cnc3n(cc(-c4ccc(Br)cc4)c3c2c1C#N)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C21H14BrN7O2S/c22-13-3-1-12(2-4-13)17-10-28(14-5-7-15(8-6-14)32(25,30)31)21-18(17)19-16(9-23)20(24)27-29(19)11-26-21/h1-8,10-11H,(H2,24,27)(H2,25,30,31)
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2.40n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 22: 3684-95 (2014)


Article DOI: 10.1016/j.bmc.2014.05.009
BindingDB Entry DOI: 10.7270/Q2N87CBZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50022096
PNG
(CHEMBL3298350)
Show SMILES CCOC(=O)n1n2cnc3n(cc(-c4ccc(Br)cc4)c3c2nc1=O)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C22H17BrN6O5S/c1-2-34-22(31)29-21(30)26-20-18-17(13-3-5-14(23)6-4-13)11-27(19(18)25-12-28(20)29)15-7-9-16(10-8-15)35(24,32)33/h3-12H,2H2,1H3,(H2,24,32,33)
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2.60n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 22: 3684-95 (2014)


Article DOI: 10.1016/j.bmc.2014.05.009
BindingDB Entry DOI: 10.7270/Q2N87CBZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50022091
PNG
(CHEMBL3298345)
Show SMILES Nn1cnc2n(cc(-c3ccc(Br)cc3)c2c1=N)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H15BrN6O2S/c19-12-3-1-11(2-4-12)15-9-24(18-16(15)17(20)25(21)10-23-18)13-5-7-14(8-6-13)28(22,26)27/h1-10,20H,21H2,(H2,22,26,27)
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2.70n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 22: 3684-95 (2014)


Article DOI: 10.1016/j.bmc.2014.05.009
BindingDB Entry DOI: 10.7270/Q2N87CBZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50022103
PNG
(CHEMBL3298839)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(-c2ccc(Br)cc2)c2c1ncn1nc3c(nc4ccccc34)nc21
Show InChI InChI=1S/C26H16BrN7O2S/c27-16-7-5-15(6-8-16)20-13-33(17-9-11-18(12-10-17)37(28,35)36)25-22(20)26-31-24-23(32-34(26)14-29-25)19-3-1-2-4-21(19)30-24/h1-14H,(H2,28,35,36)
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2.70n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 22: 3684-95 (2014)


Article DOI: 10.1016/j.bmc.2014.05.009
BindingDB Entry DOI: 10.7270/Q2N87CBZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50022093
PNG
(CHEMBL3298347)
Show SMILES CCOC(=O)c1nc2c3c(cn(-c4ccc(cc4)S(N)(=O)=O)c3ncn2n1)-c1ccc(Br)cc1
Show InChI InChI=1S/C22H17BrN6O4S/c1-2-33-22(30)19-26-21-18-17(13-3-5-14(23)6-4-13)11-28(20(18)25-12-29(21)27-19)15-7-9-16(10-8-15)34(24,31)32/h3-12H,2H2,1H3,(H2,24,31,32)
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2.70n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 22: 3684-95 (2014)


Article DOI: 10.1016/j.bmc.2014.05.009
BindingDB Entry DOI: 10.7270/Q2N87CBZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50022097
PNG
(CHEMBL3298351)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(-c2ccc(Br)cc2)c2c3nnnn3cnc12
Show InChI InChI=1S/C18H12BrN7O2S/c19-12-3-1-11(2-4-12)15-9-25(13-5-7-14(8-6-13)29(20,27)28)17-16(15)18-22-23-24-26(18)10-21-17/h1-10H,(H2,20,27,28)
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2.80n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 22: 3684-95 (2014)


Article DOI: 10.1016/j.bmc.2014.05.009
BindingDB Entry DOI: 10.7270/Q2N87CBZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50022105
PNG
(CHEMBL3297802)
Show SMILES C\C(CC(=O)c1ccccc1)=N\n1cnc2n(cc(-c3ccc(Br)cc3)c2c1=N)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C28H23BrN6O3S/c1-18(15-25(36)20-5-3-2-4-6-20)33-35-17-32-28-26(27(35)30)24(19-7-9-21(29)10-8-19)16-34(28)22-11-13-23(14-12-22)39(31,37)38/h2-14,16-17,30H,15H2,1H3,(H2,31,37,38)/b30-27?,33-18-
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2.80n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 22: 3684-95 (2014)


Article DOI: 10.1016/j.bmc.2014.05.009
BindingDB Entry DOI: 10.7270/Q2N87CBZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50022102
PNG
(CHEMBL3298838)
Show SMILES CCOC(=O)C1=C(N)N=C2N(C=Nc3c2c(cn3-c2ccc(cc2)S(N)(=O)=O)-c2ccc(Br)cc2)N=C1 |c:5,8,11,39|
Show InChI InChI=1S/C24H20BrN7O4S/c1-2-36-24(33)18-11-29-32-13-28-22-20(23(32)30-21(18)26)19(14-3-5-15(25)6-4-14)12-31(22)16-7-9-17(10-8-16)37(27,34)35/h3-13H,2,26H2,1H3,(H2,27,34,35)
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3n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 22: 3684-95 (2014)


Article DOI: 10.1016/j.bmc.2014.05.009
BindingDB Entry DOI: 10.7270/Q2N87CBZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50022094
PNG
(CHEMBL3298348)
Show SMILES CCOC(=O)Cc1nc2c3c(cn(-c4ccc(cc4)S(N)(=O)=O)c3ncn2n1)-c1ccc(Br)cc1
Show InChI InChI=1S/C23H19BrN6O4S/c1-2-34-20(31)11-19-27-23-21-18(14-3-5-15(24)6-4-14)12-29(22(21)26-13-30(23)28-19)16-7-9-17(10-8-16)35(25,32)33/h3-10,12-13H,2,11H2,1H3,(H2,25,32,33)
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3n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 22: 3684-95 (2014)


Article DOI: 10.1016/j.bmc.2014.05.009
BindingDB Entry DOI: 10.7270/Q2N87CBZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50022101
PNG
(CHEMBL3298355)
Show SMILES NC1=C(C=NN2C=Nc3c(c(cn3-c3ccc(cc3)S(N)(=O)=O)-c3ccc(Br)cc3)C2=N1)C#N |c:3,6,34,t:1|
Show InChI InChI=1S/C22H15BrN8O2S/c23-15-3-1-13(2-4-15)18-11-30(16-5-7-17(8-6-16)34(26,32)33)21-19(18)22-29-20(25)14(9-24)10-28-31(22)12-27-21/h1-8,10-12H,25H2,(H2,26,32,33)
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3.10n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 22: 3684-95 (2014)


Article DOI: 10.1016/j.bmc.2014.05.009
BindingDB Entry DOI: 10.7270/Q2N87CBZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50022104
PNG
(CHEMBL3298840)
Show SMILES CC(=O)N1C(=O)\C(=N/n2cnc3n(cc(-c4ccc(Br)cc4)c3c2=N)-c2ccc(cc2)S(N)(=O)=O)c2ccccc12
Show InChI InChI=1S/C28H20BrN7O4S/c1-16(37)36-23-5-3-2-4-21(23)25(28(36)38)33-35-15-32-27-24(26(35)30)22(17-6-8-18(29)9-7-17)14-34(27)19-10-12-20(13-11-19)41(31,39)40/h2-15,30H,1H3,(H2,31,39,40)/b30-26?,33-25-
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3.10n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 22: 3684-95 (2014)


Article DOI: 10.1016/j.bmc.2014.05.009
BindingDB Entry DOI: 10.7270/Q2N87CBZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50022095
PNG
(CHEMBL3298349)
Show SMILES CC(=O)Cc1nc2c3c(cn(-c4ccc(cc4)S(N)(=O)=O)c3ncn2n1)-c1ccc(Br)cc1
Show InChI InChI=1S/C22H17BrN6O3S/c1-13(30)10-19-26-22-20-18(14-2-4-15(23)5-3-14)11-28(21(20)25-12-29(22)27-19)16-6-8-17(9-7-16)33(24,31)32/h2-9,11-12H,10H2,1H3,(H2,24,31,32)
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3.10n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 22: 3684-95 (2014)


Article DOI: 10.1016/j.bmc.2014.05.009
BindingDB Entry DOI: 10.7270/Q2N87CBZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50022090
PNG
(CHEMBL3298344)
Show SMILES CCO\C=N\c1c(C#N)c(cn1-c1ccc(cc1)S(N)(=O)=O)-c1ccc(Br)cc1
Show InChI InChI=1S/C20H17BrN4O3S/c1-2-28-13-24-20-18(11-22)19(14-3-5-15(21)6-4-14)12-25(20)16-7-9-17(10-8-16)29(23,26)27/h3-10,12-13H,2H2,1H3,(H2,23,26,27)/b24-13+
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3.20n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 22: 3684-95 (2014)


Article DOI: 10.1016/j.bmc.2014.05.009
BindingDB Entry DOI: 10.7270/Q2N87CBZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50022106
PNG
(CHEMBL3297803)
Show SMILES CC1=NN2C=Nc3c(c(cn3-c3ccc(cc3)S(N)(=O)=O)-c3ccc(Br)cc3)C2=NC(=C1)c1ccccc1 |c:4,32,34,t:1|
Show InChI InChI=1S/C28H21BrN6O2S/c1-18-15-25(20-5-3-2-4-6-20)32-28-26-24(19-7-9-21(29)10-8-19)16-34(27(26)31-17-35(28)33-18)22-11-13-23(14-12-22)38(30,36)37/h2-17H,1H3,(H2,30,36,37)
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3.40n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 22: 3684-95 (2014)


Article DOI: 10.1016/j.bmc.2014.05.009
BindingDB Entry DOI: 10.7270/Q2N87CBZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50022106
PNG
(CHEMBL3297803)
Show SMILES CC1=NN2C=Nc3c(c(cn3-c3ccc(cc3)S(N)(=O)=O)-c3ccc(Br)cc3)C2=NC(=C1)c1ccccc1 |c:4,32,34,t:1|
Show InChI InChI=1S/C28H21BrN6O2S/c1-18-15-25(20-5-3-2-4-6-20)32-28-26-24(19-7-9-21(29)10-8-19)16-34(27(26)31-17-35(28)33-18)22-11-13-23(14-12-22)38(30,36)37/h2-17H,1H3,(H2,30,36,37)
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3.60n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 22: 3684-95 (2014)


Article DOI: 10.1016/j.bmc.2014.05.009
BindingDB Entry DOI: 10.7270/Q2N87CBZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50022091
PNG
(CHEMBL3298345)
Show SMILES Nn1cnc2n(cc(-c3ccc(Br)cc3)c2c1=N)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H15BrN6O2S/c19-12-3-1-11(2-4-12)15-9-24(18-16(15)17(20)25(21)10-23-18)13-5-7-14(8-6-13)28(22,26)27/h1-10,20H,21H2,(H2,22,26,27)
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3.80n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 22: 3684-95 (2014)


Article DOI: 10.1016/j.bmc.2014.05.009
BindingDB Entry DOI: 10.7270/Q2N87CBZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50022105
PNG
(CHEMBL3297802)
Show SMILES C\C(CC(=O)c1ccccc1)=N\n1cnc2n(cc(-c3ccc(Br)cc3)c2c1=N)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C28H23BrN6O3S/c1-18(15-25(36)20-5-3-2-4-6-20)33-35-17-32-28-26(27(35)30)24(19-7-9-21(29)10-8-19)16-34(28)22-11-13-23(14-12-22)39(31,37)38/h2-14,16-17,30H,15H2,1H3,(H2,31,37,38)/b30-27?,33-18-
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3.90n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 22: 3684-95 (2014)


Article DOI: 10.1016/j.bmc.2014.05.009
BindingDB Entry DOI: 10.7270/Q2N87CBZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50022090
PNG
(CHEMBL3298344)
Show SMILES CCO\C=N\c1c(C#N)c(cn1-c1ccc(cc1)S(N)(=O)=O)-c1ccc(Br)cc1
Show InChI InChI=1S/C20H17BrN4O3S/c1-2-28-13-24-20-18(11-22)19(14-3-5-15(21)6-4-14)12-25(20)16-7-9-17(10-8-16)29(23,26)27/h3-10,12-13H,2H2,1H3,(H2,23,26,27)/b24-13+
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3.90n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 22: 3684-95 (2014)


Article DOI: 10.1016/j.bmc.2014.05.009
BindingDB Entry DOI: 10.7270/Q2N87CBZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50028561
PNG
(CHEMBL3342500)
Show SMILES Cc1nc(S)c2c(cn(-c3ccc(cc3)S(N)(=O)=O)c2n1)-c1ccc(Br)cc1
Show InChI InChI=1S/C19H15BrN4O2S2/c1-11-22-18-17(19(27)23-11)16(12-2-4-13(20)5-3-12)10-24(18)14-6-8-15(9-7-14)28(21,25)26/h2-10H,1H3,(H2,21,25,26)(H,22,23,27)
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4.5n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50028563
PNG
(CHEMBL3342502)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(c(C#N)c1NC(=O)c1ccc(Br)cc1)-c1ccc(Br)cc1
Show InChI InChI=1S/C24H16Br2N4O3S/c25-17-5-1-15(2-6-17)22-14-30(19-9-11-20(12-10-19)34(28,32)33)23(21(22)13-27)29-24(31)16-3-7-18(26)8-4-16/h1-12,14H,(H,29,31)(H2,28,32,33)
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4.5n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50022096
PNG
(CHEMBL3298350)
Show SMILES CCOC(=O)n1n2cnc3n(cc(-c4ccc(Br)cc4)c3c2nc1=O)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C22H17BrN6O5S/c1-2-34-22(31)29-21(30)26-20-18-17(13-3-5-14(23)6-4-13)11-27(19(18)25-12-28(20)29)15-7-9-16(10-8-15)35(24,32)33/h3-12H,2H2,1H3,(H2,24,32,33)
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4.5n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 22: 3684-95 (2014)


Article DOI: 10.1016/j.bmc.2014.05.009
BindingDB Entry DOI: 10.7270/Q2N87CBZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50022089
PNG
(CHEMBL3298343)
Show SMILES Nc1c(C#N)c(cn1-c1ccc(cc1)S(N)(=O)=O)-c1ccc(Br)cc1
Show InChI InChI=1S/C17H13BrN4O2S/c18-12-3-1-11(2-4-12)16-10-22(17(20)15(16)9-19)13-5-7-14(8-6-13)25(21,23)24/h1-8,10H,20H2,(H2,21,23,24)
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4.60n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50022089
PNG
(CHEMBL3298343)
Show SMILES Nc1c(C#N)c(cn1-c1ccc(cc1)S(N)(=O)=O)-c1ccc(Br)cc1
Show InChI InChI=1S/C17H13BrN4O2S/c18-12-3-1-11(2-4-12)16-10-22(17(20)15(16)9-19)13-5-7-14(8-6-13)25(21,23)24/h1-8,10H,20H2,(H2,21,23,24)
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4.60n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 22: 3684-95 (2014)


Article DOI: 10.1016/j.bmc.2014.05.009
BindingDB Entry DOI: 10.7270/Q2N87CBZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50022093
PNG
(CHEMBL3298347)
Show SMILES CCOC(=O)c1nc2c3c(cn(-c4ccc(cc4)S(N)(=O)=O)c3ncn2n1)-c1ccc(Br)cc1
Show InChI InChI=1S/C22H17BrN6O4S/c1-2-33-22(30)19-26-21-18-17(13-3-5-14(23)6-4-13)11-28(20(18)25-12-29(21)27-19)15-7-9-16(10-8-15)34(24,31)32/h3-12H,2H2,1H3,(H2,24,31,32)
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4.70n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 22: 3684-95 (2014)


Article DOI: 10.1016/j.bmc.2014.05.009
BindingDB Entry DOI: 10.7270/Q2N87CBZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50022098
PNG
(CHEMBL3298352)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(c2c1N=CN1NC(=O)CN=C21)-c1ccc(Br)cc1 |c:17,t:24|
Show InChI InChI=1S/C20H15BrN6O3S/c21-13-3-1-12(2-4-13)16-10-26(14-5-7-15(8-6-14)31(22,29)30)19-18(16)20-23-9-17(28)25-27(20)11-24-19/h1-8,10-11H,9H2,(H,25,28)(H2,22,29,30)
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4.90n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 22: 3684-95 (2014)


Article DOI: 10.1016/j.bmc.2014.05.009
BindingDB Entry DOI: 10.7270/Q2N87CBZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50022092
PNG
(CHEMBL3298346)
Show SMILES Nc1nn2cnc3n(cc(-c4ccc(Br)cc4)c3c2c1C#N)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C21H14BrN7O2S/c22-13-3-1-12(2-4-13)17-10-28(14-5-7-15(8-6-14)32(25,30)31)21-18(17)19-16(9-23)20(24)27-29(19)11-26-21/h1-8,10-11H,(H2,24,27)(H2,25,30,31)
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4.90n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 22: 3684-95 (2014)


Article DOI: 10.1016/j.bmc.2014.05.009
BindingDB Entry DOI: 10.7270/Q2N87CBZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50022101
PNG
(CHEMBL3298355)
Show SMILES NC1=C(C=NN2C=Nc3c(c(cn3-c3ccc(cc3)S(N)(=O)=O)-c3ccc(Br)cc3)C2=N1)C#N |c:3,6,34,t:1|
Show InChI InChI=1S/C22H15BrN8O2S/c23-15-3-1-13(2-4-15)18-11-30(16-5-7-17(8-6-16)34(26,32)33)21-19(18)22-29-20(25)14(9-24)10-28-31(22)12-27-21/h1-8,10-12H,25H2,(H2,26,32,33)
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5.20n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 22: 3684-95 (2014)


Article DOI: 10.1016/j.bmc.2014.05.009
BindingDB Entry DOI: 10.7270/Q2N87CBZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50028562
PNG
(CHEMBL3342501)
Show SMILES CC(=O)CC(=O)Nc1c(C#N)c(cn1-c1ccc(cc1)S(N)(=O)=O)-c1ccc(Br)cc1
Show InChI InChI=1S/C21H17BrN4O4S/c1-13(27)10-20(28)25-21-18(11-23)19(14-2-4-15(22)5-3-14)12-26(21)16-6-8-17(9-7-16)31(24,29)30/h2-9,12H,10H2,1H3,(H,25,28)(H2,24,29,30)
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5.20n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50022097
PNG
(CHEMBL3298351)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(-c2ccc(Br)cc2)c2c3nnnn3cnc12
Show InChI InChI=1S/C18H12BrN7O2S/c19-12-3-1-11(2-4-12)15-9-25(13-5-7-14(8-6-13)29(20,27)28)17-16(15)18-22-23-24-26(18)10-21-17/h1-10H,(H2,20,27,28)
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5.30n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 22: 3684-95 (2014)


Article DOI: 10.1016/j.bmc.2014.05.009
BindingDB Entry DOI: 10.7270/Q2N87CBZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50028563
PNG
(CHEMBL3342502)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(c(C#N)c1NC(=O)c1ccc(Br)cc1)-c1ccc(Br)cc1
Show InChI InChI=1S/C24H16Br2N4O3S/c25-17-5-1-15(2-6-17)22-14-30(19-9-11-20(12-10-19)34(28,32)33)23(21(22)13-27)29-24(31)16-3-7-18(26)8-4-16/h1-12,14H,(H,29,31)(H2,28,32,33)
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5.30n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50022100
PNG
(CHEMBL3298354)
Show SMILES CC1=CC(C)=NN2C=Nc3c(c(cn3-c3ccc(cc3)S(N)(=O)=O)-c3ccc(Br)cc3)C2=N1 |c:4,7,35,t:1|
Show InChI InChI=1S/C23H19BrN6O2S/c1-14-11-15(2)28-30-13-26-22-21(23(30)27-14)20(16-3-5-17(24)6-4-16)12-29(22)18-7-9-19(10-8-18)33(25,31)32/h3-13H,1-2H3,(H2,25,31,32)
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5.40n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 22: 3684-95 (2014)


Article DOI: 10.1016/j.bmc.2014.05.009
BindingDB Entry DOI: 10.7270/Q2N87CBZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50028530
PNG
(CHEMBL3342488)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(c(C#N)c1NC(=S)Nc1ccc(Cl)cc1)-c1ccc(Br)cc1
Show InChI InChI=1S/C24H17BrClN5O2S2/c25-16-3-1-15(2-4-16)22-14-31(19-9-11-20(12-10-19)35(28,32)33)23(21(22)13-27)30-24(34)29-18-7-5-17(26)6-8-18/h1-12,14H,(H2,28,32,33)(H2,29,30,34)
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5.40n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50028561
PNG
(CHEMBL3342500)
Show SMILES Cc1nc(S)c2c(cn(-c3ccc(cc3)S(N)(=O)=O)c2n1)-c1ccc(Br)cc1
Show InChI InChI=1S/C19H15BrN4O2S2/c1-11-22-18-17(19(27)23-11)16(12-2-4-13(20)5-3-12)10-24(18)14-6-8-15(9-7-14)28(21,25)26/h2-10H,1H3,(H2,21,25,26)(H,22,23,27)
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5.40n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50028562
PNG
(CHEMBL3342501)
Show SMILES CC(=O)CC(=O)Nc1c(C#N)c(cn1-c1ccc(cc1)S(N)(=O)=O)-c1ccc(Br)cc1
Show InChI InChI=1S/C21H17BrN4O4S/c1-13(27)10-20(28)25-21-18(11-23)19(14-2-4-15(22)5-3-14)12-26(21)16-6-8-17(9-7-16)31(24,29)30/h2-9,12H,10H2,1H3,(H,25,28)(H2,24,29,30)
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5.5n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50028568
PNG
(CHEMBL3342487)
Show SMILES COc1ccc(NC(=S)Nc2c(C#N)c(cn2-c2ccc(cc2)S(N)(=O)=O)-c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C25H20BrN5O3S2/c1-34-20-10-6-18(7-11-20)29-25(35)30-24-22(14-27)23(16-2-4-17(26)5-3-16)15-31(24)19-8-12-21(13-9-19)36(28,32)33/h2-13,15H,1H3,(H2,28,32,33)(H2,29,30,35)
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5.60n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Eur J Med Chem 87: 186-96 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.059
BindingDB Entry DOI: 10.7270/Q2PG1T90
More data for this
Ligand-Target Pair
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