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Compile Data Set for Download or QSAR

Found 189 hits with Last Name = 'sahoo' and Initial = 'sk'   
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 2


(Homo sapiens (Human))
BDBM50329836
PNG
(2-Chloro-5-[(1H-imidazo[4,5-c]quinolin-2-ylsulfany...)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1nc2c(cnc3ccccc23)[nH]1
Show InChI InChI=1S/C18H13ClN4O3S2/c19-12-6-5-10(7-16(12)28(20,25)26)15(24)9-27-18-22-14-8-21-13-4-2-1-3-11(13)17(14)23-18/h1-8H,9H2,(H,22,23)(H2,20,25,26)
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0.0300n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114247
BindingDB Entry DOI: 10.7270/Q2MC941H
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50329836
PNG
(2-Chloro-5-[(1H-imidazo[4,5-c]quinolin-2-ylsulfany...)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1nc2c(cnc3ccccc23)[nH]1
Show InChI InChI=1S/C18H13ClN4O3S2/c19-12-6-5-10(7-16(12)28(20,25)26)15(24)9-27-18-22-14-8-21-13-4-2-1-3-11(13)17(14)23-18/h1-8H,9H2,(H,22,23)(H2,20,25,26)
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0.100n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114247
BindingDB Entry DOI: 10.7270/Q2MC941H
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50329836
PNG
(2-Chloro-5-[(1H-imidazo[4,5-c]quinolin-2-ylsulfany...)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)CSc1nc2c(cnc3ccccc23)[nH]1
Show InChI InChI=1S/C18H13ClN4O3S2/c19-12-6-5-10(7-16(12)28(20,25)26)15(24)9-27-18-22-14-8-21-13-4-2-1-3-11(13)17(14)23-18/h1-8H,9H2,(H,22,23)(H2,20,25,26)
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1.30n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114247
BindingDB Entry DOI: 10.7270/Q2MC941H
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50596811
PNG
(CHEMBL5181231)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cn2cc(\C=C\C(=O)c3cccc(c3)C(F)(F)F)c3ccccc23)cc1
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2.30n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114247
BindingDB Entry DOI: 10.7270/Q2MC941H
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50596809
PNG
(CHEMBL5201409)
Show SMILES CCN(C1CC(C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O)S(=O)(=O)c1cccc2cccnc12
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5n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114247
BindingDB Entry DOI: 10.7270/Q2MC941H
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(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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5.70n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114247
BindingDB Entry DOI: 10.7270/Q2MC941H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50596777
PNG
(CHEMBL5197564)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2cc(nc3ccccc23)-c2ccc3OCOc3c2)cc1
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6.5n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114247
BindingDB Entry DOI: 10.7270/Q2MC941H
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50596801
PNG
(CHEMBL5169617)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)c2cc(nc3ccc(Cl)cc23)-c2ccccc2)cc1
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6.70n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114247
BindingDB Entry DOI: 10.7270/Q2MC941H
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50596800
PNG
(CHEMBL5204736)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)c2cc(nc3ccccc23)-c2cccc(c2)C(F)(F)F)cc1
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6.90n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114247
BindingDB Entry DOI: 10.7270/Q2MC941H
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50596777
PNG
(CHEMBL5197564)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2cc(nc3ccccc23)-c2ccc3OCOc3c2)cc1
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7.10n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114247
BindingDB Entry DOI: 10.7270/Q2MC941H
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50596812
PNG
(CHEMBL5178258)
Show SMILES NS(=O)(=O)c1cccc(Nc2ccnc3ccc(Cl)cc23)c1
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8.40n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114247
BindingDB Entry DOI: 10.7270/Q2MC941H
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50517111
PNG
(CHEMBL4466660)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nc(sc1\C=C\C(=O)Nc1ccc(Br)cc1)N1CCOCC1
Show InChI InChI=1S/C22H19BrN4O4S/c23-16-3-5-17(6-4-16)24-20(28)10-9-19-21(15-1-7-18(8-2-15)27(29)30)25-22(32-19)26-11-13-31-14-12-26/h1-10H,11-14H2,(H,24,28)/b10-9+
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8.80n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114247
BindingDB Entry DOI: 10.7270/Q2MC941H
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50596783
PNG
(CHEMBL5199781)
Show SMILES COc1ccc2nc(cc(C(=O)Nc3ccc(cc3)S(N)(=O)=O)c2c1)-c1ccccc1OC
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8.80n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114247
BindingDB Entry DOI: 10.7270/Q2MC941H
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50596784
PNG
(CHEMBL5177880)
Show SMILES COc1ccc2nc(cc(C(=O)Nc3ccc(cc3)S(N)(=O)=O)c2c1)-c1ccc(OC)c(OC)c1
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9.10n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114247
BindingDB Entry DOI: 10.7270/Q2MC941H
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50517111
PNG
(CHEMBL4466660)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nc(sc1\C=C\C(=O)Nc1ccc(Br)cc1)N1CCOCC1
Show InChI InChI=1S/C22H19BrN4O4S/c23-16-3-5-17(6-4-16)24-20(28)10-9-19-21(15-1-7-18(8-2-15)27(29)30)25-22(32-19)26-11-13-31-14-12-26/h1-10H,11-14H2,(H,24,28)/b10-9+
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9.30n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114247
BindingDB Entry DOI: 10.7270/Q2MC941H
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50596799
PNG
(CHEMBL5199262)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)c2cc(nc3ccccc23)-c2cccc(Br)c2)cc1
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9.60n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114247
BindingDB Entry DOI: 10.7270/Q2MC941H
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50596786
PNG
(CHEMBL5182572)
Show SMILES NS(=O)(=O)c1cccc(NC(=O)c2cc(nc3ccccc23)-c2ccccc2)c1
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9.60n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114247
BindingDB Entry DOI: 10.7270/Q2MC941H
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50596798
PNG
(CHEMBL5189336)
Show SMILES COc1ccc(cc1OC)-c1cc(C(=O)NCCc2ccc(cc2)S(N)(=O)=O)c2ccccc2n1
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9.70n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114247
BindingDB Entry DOI: 10.7270/Q2MC941H
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50596809
PNG
(CHEMBL5201409)
Show SMILES CCN(C1CC(C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O)S(=O)(=O)c1cccc2cccnc12
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10n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114247
BindingDB Entry DOI: 10.7270/Q2MC941H
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(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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12n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114247
BindingDB Entry DOI: 10.7270/Q2MC941H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50596797
PNG
(CHEMBL5194931)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)c2cc(nc3ccccc23)-c2ccc3OCOc3c2)cc1
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18n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114247
BindingDB Entry DOI: 10.7270/Q2MC941H
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50596782
PNG
(CHEMBL5181198)
Show SMILES COc1ccc2nc(cc(C(=O)Nc3ccc(cc3)S(N)(=O)=O)c2c1)-c1ccccc1C
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21n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114247
BindingDB Entry DOI: 10.7270/Q2MC941H
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50596797
PNG
(CHEMBL5194931)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)c2cc(nc3ccccc23)-c2ccc3OCOc3c2)cc1
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23n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114247
BindingDB Entry DOI: 10.7270/Q2MC941H
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50596784
PNG
(CHEMBL5177880)
Show SMILES COc1ccc2nc(cc(C(=O)Nc3ccc(cc3)S(N)(=O)=O)c2c1)-c1ccc(OC)c(OC)c1
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26n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114247
BindingDB Entry DOI: 10.7270/Q2MC941H
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(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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26n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114247
BindingDB Entry DOI: 10.7270/Q2MC941H
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50596782
PNG
(CHEMBL5181198)
Show SMILES COc1ccc2nc(cc(C(=O)Nc3ccc(cc3)S(N)(=O)=O)c2c1)-c1ccccc1C
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29n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114247
BindingDB Entry DOI: 10.7270/Q2MC941H
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50596811
PNG
(CHEMBL5181231)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cn2cc(\C=C\C(=O)c3cccc(c3)C(F)(F)F)c3ccccc23)cc1
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31n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114247
BindingDB Entry DOI: 10.7270/Q2MC941H
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50596799
PNG
(CHEMBL5199262)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)c2cc(nc3ccccc23)-c2cccc(Br)c2)cc1
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31n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114247
BindingDB Entry DOI: 10.7270/Q2MC941H
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50596808
PNG
(CHEMBL5185126)
Show SMILES COc1cccc2ccc(nc12)C(=O)Nc1ccc(cc1)S(N)(=O)=O
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33n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114247
BindingDB Entry DOI: 10.7270/Q2MC941H
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50596798
PNG
(CHEMBL5189336)
Show SMILES COc1ccc(cc1OC)-c1cc(C(=O)NCCc2ccc(cc2)S(N)(=O)=O)c2ccccc2n1
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35n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114247
BindingDB Entry DOI: 10.7270/Q2MC941H
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50596781
PNG
(CHEMBL5175790)
Show SMILES COc1ccc2nc(cc(C(=O)Nc3ccc(cc3)S(N)(=O)=O)c2c1)-c1ccccc1
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36n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114247
BindingDB Entry DOI: 10.7270/Q2MC941H
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50596783
PNG
(CHEMBL5199781)
Show SMILES COc1ccc2nc(cc(C(=O)Nc3ccc(cc3)S(N)(=O)=O)c2c1)-c1ccccc1OC
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37n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114247
BindingDB Entry DOI: 10.7270/Q2MC941H
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50596799
PNG
(CHEMBL5199262)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)c2cc(nc3ccccc23)-c2cccc(Br)c2)cc1
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39n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114247
BindingDB Entry DOI: 10.7270/Q2MC941H
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50596801
PNG
(CHEMBL5169617)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)c2cc(nc3ccc(Cl)cc23)-c2ccccc2)cc1
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43n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114247
BindingDB Entry DOI: 10.7270/Q2MC941H
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50596783
PNG
(CHEMBL5199781)
Show SMILES COc1ccc2nc(cc(C(=O)Nc3ccc(cc3)S(N)(=O)=O)c2c1)-c1ccccc1OC
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45n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114247
BindingDB Entry DOI: 10.7270/Q2MC941H
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50596782
PNG
(CHEMBL5181198)
Show SMILES COc1ccc2nc(cc(C(=O)Nc3ccc(cc3)S(N)(=O)=O)c2c1)-c1ccccc1C
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47n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114247
BindingDB Entry DOI: 10.7270/Q2MC941H
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50596801
PNG
(CHEMBL5169617)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)c2cc(nc3ccc(Cl)cc23)-c2ccccc2)cc1
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48n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114247
BindingDB Entry DOI: 10.7270/Q2MC941H
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50596795
PNG
(CHEMBL5208281)
Show SMILES COc1ccc2nc(cc(C(=O)Nc3cccc(c3)S(N)(=O)=O)c2c1)-c1ccc(OC)c(OC)c1
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51n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114247
BindingDB Entry DOI: 10.7270/Q2MC941H
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50596776
PNG
(CHEMBL5208769)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2cc(nc3ccccc23)-c2ccccc2)cc1
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55n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114247
BindingDB Entry DOI: 10.7270/Q2MC941H
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50517111
PNG
(CHEMBL4466660)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nc(sc1\C=C\C(=O)Nc1ccc(Br)cc1)N1CCOCC1
Show InChI InChI=1S/C22H19BrN4O4S/c23-16-3-5-17(6-4-16)24-20(28)10-9-19-21(15-1-7-18(8-2-15)27(29)30)25-22(32-19)26-11-13-31-14-12-26/h1-10H,11-14H2,(H,24,28)/b10-9+
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55n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114247
BindingDB Entry DOI: 10.7270/Q2MC941H
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50596781
PNG
(CHEMBL5175790)
Show SMILES COc1ccc2nc(cc(C(=O)Nc3ccc(cc3)S(N)(=O)=O)c2c1)-c1ccccc1
PDB
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57n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114247
BindingDB Entry DOI: 10.7270/Q2MC941H
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50596807
PNG
(CHEMBL5195908)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)c2cc(nc3ccc(Br)cc23)-c2ccccc2)cc1
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59n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114247
BindingDB Entry DOI: 10.7270/Q2MC941H
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50596796
PNG
(CHEMBL5177441)
Show SMILES COc1ccc2nc(cc(C(=O)Nc3cccc(c3)S(N)(=O)=O)c2c1)-c1ccc(Cl)cc1Cl
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62n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114247
BindingDB Entry DOI: 10.7270/Q2MC941H
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50596808
PNG
(CHEMBL5185126)
Show SMILES COc1cccc2ccc(nc12)C(=O)Nc1ccc(cc1)S(N)(=O)=O
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62n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114247
BindingDB Entry DOI: 10.7270/Q2MC941H
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50596787
PNG
(CHEMBL5186745)
Show SMILES NS(=O)(=O)c1cccc(NC(=O)c2cc(nc3ccccc23)-c2ccc3OCOc3c2)c1
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65n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114247
BindingDB Entry DOI: 10.7270/Q2MC941H
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50596790
PNG
(CHEMBL5193177)
Show SMILES NS(=O)(=O)c1cccc(NC(=O)c2cc(nc3ccccc23)-c2cccc(c2)C(F)(F)F)c1
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65n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114247
BindingDB Entry DOI: 10.7270/Q2MC941H
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50596796
PNG
(CHEMBL5177441)
Show SMILES COc1ccc2nc(cc(C(=O)Nc3cccc(c3)S(N)(=O)=O)c2c1)-c1ccc(Cl)cc1Cl
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65n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114247
BindingDB Entry DOI: 10.7270/Q2MC941H
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50596786
PNG
(CHEMBL5182572)
Show SMILES NS(=O)(=O)c1cccc(NC(=O)c2cc(nc3ccccc23)-c2ccccc2)c1
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67n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114247
BindingDB Entry DOI: 10.7270/Q2MC941H
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50596804
PNG
(CHEMBL5174950)
Show SMILES COc1ccc2nc(cc(C(=O)NCCc3ccc(cc3)S(N)(=O)=O)c2c1)-c1ccccc1OC
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68n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114247
BindingDB Entry DOI: 10.7270/Q2MC941H
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50596805
PNG
(CHEMBL5173123)
Show SMILES COc1ccc2nc(cc(C(=O)NCCc3ccc(cc3)S(N)(=O)=O)c2c1)-c1ccc(OC)c(OC)c1
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70n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114247
BindingDB Entry DOI: 10.7270/Q2MC941H
More data for this
Ligand-Target Pair
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