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PubMed code 25921266

Compile data set for download or QSAR
Found 48 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 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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 5.80n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method

Bioorg Med Chem 23: 3674-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.011
BindingDB Entry DOI: 10.7270/Q2SJ1NCF
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method

Bioorg Med Chem 23: 3674-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.011
BindingDB Entry DOI: 10.7270/Q2SJ1NCF
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (Human))		BDBM50093560
PNG
(CHEMBL3585752)
Show SMILES CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(C)cc1)S(=O)(=O)NC[C@H](C)O |r|
Show InChI InChI=1S/C23H26N6O4S/c1-5-33-20-11-10-18(34(31,32)24-13-15(3)30)12-19(20)22-25-21-16(4)28-29(23(21)27-26-22)17-8-6-14(2)7-9-17/h6-12,15,24,30H,5,13H2,1-4H3/t15-/m0/s1
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 14n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method

Bioorg Med Chem 23: 3674-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.011
BindingDB Entry DOI: 10.7270/Q2SJ1NCF
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))		BDBM50093562
PNG
(CHEMBL3585750)
Show SMILES CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(C)cc1)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C25H29N7O3S/c1-5-35-22-11-10-20(36(33,34)31-14-12-30(4)13-15-31)16-21(22)24-26-23-18(3)29-32(25(23)28-27-24)19-8-6-17(2)7-9-19/h6-11,16H,5,12-15H2,1-4H3
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 25n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method

Bioorg Med Chem 23: 3674-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.011
BindingDB Entry DOI: 10.7270/Q2SJ1NCF
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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 25n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method

Bioorg Med Chem 23: 3674-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.011
BindingDB Entry DOI: 10.7270/Q2SJ1NCF
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))		BDBM50093561
PNG
(CHEMBL3585751)
Show SMILES CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(C)cc1)S(=O)(=O)NCCO
Show InChI InChI=1S/C22H24N6O4S/c1-4-32-19-10-9-17(33(30,31)23-11-12-29)13-18(19)21-24-20-15(3)27-28(22(20)26-25-21)16-7-5-14(2)6-8-16/h5-10,13,23,29H,4,11-12H2,1-3H3
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 25n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method

Bioorg Med Chem 23: 3674-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.011
BindingDB Entry DOI: 10.7270/Q2SJ1NCF
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))		BDBM50093557
PNG
(CHEMBL3585755)
Show SMILES CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(C)cc1)S(=O)(=O)N[C@H](C)CC |r|
Show InChI InChI=1S/C24H28N6O3S/c1-6-16(4)29-34(31,32)19-12-13-21(33-7-2)20(14-19)23-25-22-17(5)28-30(24(22)27-26-23)18-10-8-15(3)9-11-18/h8-14,16,29H,6-7H2,1-5H3/t16-/m1/s1
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 27n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method

Bioorg Med Chem 23: 3674-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.011
BindingDB Entry DOI: 10.7270/Q2SJ1NCF
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))		BDBM50093558
PNG
(CHEMBL3585754)
Show SMILES CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(C)cc1)S(=O)(=O)N[C@@H](C)CC |r|
Show InChI InChI=1S/C24H28N6O3S/c1-6-16(4)29-34(31,32)19-12-13-21(33-7-2)20(14-19)23-25-22-17(5)28-30(24(22)27-26-23)18-10-8-15(3)9-11-18/h8-14,16,29H,6-7H2,1-5H3/t16-/m0/s1
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 28n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method

Bioorg Med Chem 23: 3674-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.011
BindingDB Entry DOI: 10.7270/Q2SJ1NCF
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))		BDBM50093563
PNG
(CHEMBL3585749)
Show SMILES CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(C)cc1)S(N)(=O)=O
Show InChI InChI=1S/C20H20N6O3S/c1-4-29-17-10-9-15(30(21,27)28)11-16(17)19-22-18-13(3)25-26(20(18)24-23-19)14-7-5-12(2)6-8-14/h5-11H,4H2,1-3H3,(H2,21,27,28)
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 29n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method

Bioorg Med Chem 23: 3674-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.011
BindingDB Entry DOI: 10.7270/Q2SJ1NCF
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))		BDBM50093564
PNG
(CHEMBL3585748)
Show SMILES CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(cc1)S(=O)(=O)N1CCN(C)CC1)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C29H37N9O5S2/c1-5-43-26-11-10-24(45(41,42)37-18-14-35(4)15-19-37)20-25(26)28-30-27-21(2)33-38(29(27)32-31-28)22-6-8-23(9-7-22)44(39,40)36-16-12-34(3)13-17-36/h6-11,20H,5,12-19H2,1-4H3
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 30n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method

Bioorg Med Chem 23: 3674-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.011
BindingDB Entry DOI: 10.7270/Q2SJ1NCF
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))		BDBM50093559
PNG
(CHEMBL3585753)
Show SMILES CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(C)cc1)S(=O)(=O)NC[C@@H](C)O |r|
Show InChI InChI=1S/C23H26N6O4S/c1-5-33-20-11-10-18(34(31,32)24-13-15(3)30)12-19(20)22-25-21-16(4)28-29(23(21)27-26-22)17-8-6-14(2)7-9-17/h6-12,15,24,30H,5,13H2,1-4H3/t15-/m1/s1
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 36n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method

Bioorg Med Chem 23: 3674-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.011
BindingDB Entry DOI: 10.7270/Q2SJ1NCF
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))		BDBM50093554
PNG
(CHEMBL3585758)
Show SMILES CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(Cl)cc1)S(=O)(=O)N1CCNCC1
Show InChI InChI=1S/C23H24ClN7O3S/c1-3-34-20-9-8-18(35(32,33)30-12-10-25-11-13-30)14-19(20)22-26-21-15(2)29-31(23(21)28-27-22)17-6-4-16(24)5-7-17/h4-9,14,25H,3,10-13H2,1-2H3
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 42n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method

Bioorg Med Chem 23: 3674-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.011
BindingDB Entry DOI: 10.7270/Q2SJ1NCF
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))		BDBM50093557
PNG
(CHEMBL3585755)
Show SMILES CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(C)cc1)S(=O)(=O)N[C@H](C)CC |r|
Show InChI InChI=1S/C24H28N6O3S/c1-6-16(4)29-34(31,32)19-12-13-21(33-7-2)20(14-19)23-25-22-17(5)28-30(24(22)27-26-23)18-10-8-15(3)9-11-18/h8-14,16,29H,6-7H2,1-5H3/t16-/m1/s1
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 70n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method

Bioorg Med Chem 23: 3674-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.011
BindingDB Entry DOI: 10.7270/Q2SJ1NCF
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))		BDBM50093563
PNG
(CHEMBL3585749)
Show SMILES CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(C)cc1)S(N)(=O)=O
Show InChI InChI=1S/C20H20N6O3S/c1-4-29-17-10-9-15(30(21,27)28)11-16(17)19-22-18-13(3)25-26(20(18)24-23-19)14-7-5-12(2)6-8-14/h5-11H,4H2,1-3H3,(H2,21,27,28)
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 78n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method

Bioorg Med Chem 23: 3674-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.011
BindingDB Entry DOI: 10.7270/Q2SJ1NCF
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))		BDBM50093562
PNG
(CHEMBL3585750)
Show SMILES CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(C)cc1)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C25H29N7O3S/c1-5-35-22-11-10-20(36(33,34)31-14-12-30(4)13-15-31)16-21(22)24-26-23-18(3)29-32(25(23)28-27-24)19-8-6-17(2)7-9-19/h6-11,16H,5,12-15H2,1-4H3
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 78n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method

Bioorg Med Chem 23: 3674-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.011
BindingDB Entry DOI: 10.7270/Q2SJ1NCF
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))		BDBM50093559
PNG
(CHEMBL3585753)
Show SMILES CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(C)cc1)S(=O)(=O)NC[C@@H](C)O |r|
Show InChI InChI=1S/C23H26N6O4S/c1-5-33-20-11-10-18(34(31,32)24-13-15(3)30)12-19(20)22-25-21-16(4)28-29(23(21)27-26-22)17-8-6-14(2)7-9-17/h6-12,15,24,30H,5,13H2,1-4H3/t15-/m1/s1
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 78n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method

Bioorg Med Chem 23: 3674-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.011
BindingDB Entry DOI: 10.7270/Q2SJ1NCF
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))		BDBM50093558
PNG
(CHEMBL3585754)
Show SMILES CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(C)cc1)S(=O)(=O)N[C@@H](C)CC |r|
Show InChI InChI=1S/C24H28N6O3S/c1-6-16(4)29-34(31,32)19-12-13-21(33-7-2)20(14-19)23-25-22-17(5)28-30(24(22)27-26-23)18-10-8-15(3)9-11-18/h8-14,16,29H,6-7H2,1-5H3/t16-/m0/s1
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 78n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method

Bioorg Med Chem 23: 3674-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.011
BindingDB Entry DOI: 10.7270/Q2SJ1NCF
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))		BDBM50093556
PNG
(CHEMBL3585756)
Show SMILES CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(c(Cl)c1)S(=O)(=O)N1CCN(C)CC1)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C29H36ClN9O5S2/c1-5-44-25-8-7-22(45(40,41)37-14-10-35(3)11-15-37)19-23(25)28-31-27-20(2)34-39(29(27)33-32-28)21-6-9-26(24(30)18-21)46(42,43)38-16-12-36(4)13-17-38/h6-9,18-19H,5,10-17H2,1-4H3
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 79n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method

Bioorg Med Chem 23: 3674-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.011
BindingDB Entry DOI: 10.7270/Q2SJ1NCF
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))		BDBM50093555
PNG
(CHEMBL3585757)
Show SMILES CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(Cl)cc1)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C24H26ClN7O3S/c1-4-35-21-10-9-19(36(33,34)31-13-11-30(3)12-14-31)15-20(21)23-26-22-16(2)29-32(24(22)28-27-23)18-7-5-17(25)6-8-18/h5-10,15H,4,11-14H2,1-3H3
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 82n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method

Bioorg Med Chem 23: 3674-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.011
BindingDB Entry DOI: 10.7270/Q2SJ1NCF
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))		BDBM50093560
PNG
(CHEMBL3585752)
Show SMILES CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(C)cc1)S(=O)(=O)NC[C@H](C)O |r|
Show InChI InChI=1S/C23H26N6O4S/c1-5-33-20-11-10-18(34(31,32)24-13-15(3)30)12-19(20)22-25-21-16(4)28-29(23(21)27-26-22)17-8-6-14(2)7-9-17/h6-12,15,24,30H,5,13H2,1-4H3/t15-/m0/s1
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 83n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method

Bioorg Med Chem 23: 3674-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.011
BindingDB Entry DOI: 10.7270/Q2SJ1NCF
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))		BDBM50093561
PNG
(CHEMBL3585751)
Show SMILES CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(C)cc1)S(=O)(=O)NCCO
Show InChI InChI=1S/C22H24N6O4S/c1-4-32-19-10-9-17(33(30,31)23-11-12-29)13-18(19)21-24-20-15(3)27-28(22(20)26-25-21)16-7-5-14(2)6-8-16/h5-10,13,23,29H,4,11-12H2,1-3H3
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 92n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method

Bioorg Med Chem 23: 3674-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.011
BindingDB Entry DOI: 10.7270/Q2SJ1NCF
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))		BDBM50093554
PNG
(CHEMBL3585758)
Show SMILES CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(Cl)cc1)S(=O)(=O)N1CCNCC1
Show InChI InChI=1S/C23H24ClN7O3S/c1-3-34-20-9-8-18(35(32,33)30-12-10-25-11-13-30)14-19(20)22-26-21-15(2)29-31(23(21)28-27-22)17-6-4-16(24)5-7-17/h4-9,14,25H,3,10-13H2,1-2H3
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 93n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method

Bioorg Med Chem 23: 3674-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.011
BindingDB Entry DOI: 10.7270/Q2SJ1NCF
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(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



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method

Bioorg Med Chem 23: 3674-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.011
BindingDB Entry DOI: 10.7270/Q2SJ1NCF
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM50093562
PNG
(CHEMBL3585750)
Show SMILES CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(C)cc1)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C25H29N7O3S/c1-5-35-22-11-10-20(36(33,34)31-14-12-30(4)13-15-31)16-21(22)24-26-23-18(3)29-32(25(23)28-27-24)19-8-6-17(2)7-9-19/h6-11,16H,5,12-15H2,1-4H3
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 330n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method

Bioorg Med Chem 23: 3674-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.011
BindingDB Entry DOI: 10.7270/Q2SJ1NCF
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))		BDBM50093555
PNG
(CHEMBL3585757)
Show SMILES CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(Cl)cc1)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C24H26ClN7O3S/c1-4-35-21-10-9-19(36(33,34)31-13-11-30(3)12-14-31)15-20(21)23-26-22-16(2)29-32(24(22)28-27-23)18-7-5-17(25)6-8-18/h5-10,15H,4,11-14H2,1-3H3
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 403n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method

Bioorg Med Chem 23: 3674-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.011
BindingDB Entry DOI: 10.7270/Q2SJ1NCF
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))		BDBM50093556
PNG
(CHEMBL3585756)
Show SMILES CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(c(Cl)c1)S(=O)(=O)N1CCN(C)CC1)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C29H36ClN9O5S2/c1-5-44-25-8-7-22(45(40,41)37-14-10-35(3)11-15-37)19-23(25)28-31-27-20(2)34-39(29(27)33-32-28)21-6-9-26(24(30)18-21)46(42,43)38-16-12-36(4)13-17-38/h6-9,18-19H,5,10-17H2,1-4H3
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 417n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-9 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method

Bioorg Med Chem 23: 3674-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.011
BindingDB Entry DOI: 10.7270/Q2SJ1NCF
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM50093564
PNG
(CHEMBL3585748)
Show SMILES CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(cc1)S(=O)(=O)N1CCN(C)CC1)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C29H37N9O5S2/c1-5-43-26-11-10-24(45(41,42)37-18-14-35(4)15-19-37)20-25(26)28-30-27-21(2)33-38(29(27)32-31-28)22-6-8-23(9-7-22)44(39,40)36-16-12-34(3)13-17-36/h6-11,20H,5,12-19H2,1-4H3
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 467n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method

Bioorg Med Chem 23: 3674-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.011
BindingDB Entry DOI: 10.7270/Q2SJ1NCF
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))		BDBM50093564
PNG
(CHEMBL3585748)
Show SMILES CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(cc1)S(=O)(=O)N1CCN(C)CC1)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C29H37N9O5S2/c1-5-43-26-11-10-24(45(41,42)37-18-14-35(4)15-19-37)20-25(26)28-30-27-21(2)33-38(29(27)32-31-28)22-6-8-23(9-7-22)44(39,40)36-16-12-34(3)13-17-36/h6-11,20H,5,12-19H2,1-4H3
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 536n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method

Bioorg Med Chem 23: 3674-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.011
BindingDB Entry DOI: 10.7270/Q2SJ1NCF
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM50093556
PNG
(CHEMBL3585756)
Show SMILES CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(c(Cl)c1)S(=O)(=O)N1CCN(C)CC1)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C29H36ClN9O5S2/c1-5-44-25-8-7-22(45(40,41)37-14-10-35(3)11-15-37)19-23(25)28-31-27-20(2)34-39(29(27)33-32-28)21-6-9-26(24(30)18-21)46(42,43)38-16-12-36(4)13-17-38/h6-9,18-19H,5,10-17H2,1-4H3
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 571n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method

Bioorg Med Chem 23: 3674-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.011
BindingDB Entry DOI: 10.7270/Q2SJ1NCF
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM50093561
PNG
(CHEMBL3585751)
Show SMILES CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(C)cc1)S(=O)(=O)NCCO
Show InChI InChI=1S/C22H24N6O4S/c1-4-32-19-10-9-17(33(30,31)23-11-12-29)13-18(19)21-24-20-15(3)27-28(22(20)26-25-21)16-7-5-14(2)6-8-16/h5-10,13,23,29H,4,11-12H2,1-3H3
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 605n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method

Bioorg Med Chem 23: 3674-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.011
BindingDB Entry DOI: 10.7270/Q2SJ1NCF
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM50093559
PNG
(CHEMBL3585753)
Show SMILES CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(C)cc1)S(=O)(=O)NC[C@@H](C)O |r|
Show InChI InChI=1S/C23H26N6O4S/c1-5-33-20-11-10-18(34(31,32)24-13-15(3)30)12-19(20)22-25-21-16(4)28-29(23(21)27-26-22)17-8-6-14(2)7-9-17/h6-12,15,24,30H,5,13H2,1-4H3/t15-/m1/s1
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 798n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method

Bioorg Med Chem 23: 3674-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.011
BindingDB Entry DOI: 10.7270/Q2SJ1NCF
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM50093560
PNG
(CHEMBL3585752)
Show SMILES CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(C)cc1)S(=O)(=O)NC[C@H](C)O |r|
Show InChI InChI=1S/C23H26N6O4S/c1-5-33-20-11-10-18(34(31,32)24-13-15(3)30)12-19(20)22-25-21-16(4)28-29(23(21)27-26-22)17-8-6-14(2)7-9-17/h6-12,15,24,30H,5,13H2,1-4H3/t15-/m0/s1
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 810n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method

Bioorg Med Chem 23: 3674-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.011
BindingDB Entry DOI: 10.7270/Q2SJ1NCF
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM50093555
PNG
(CHEMBL3585757)
Show SMILES CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(Cl)cc1)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C24H26ClN7O3S/c1-4-35-21-10-9-19(36(33,34)31-13-11-30(3)12-14-31)15-20(21)23-26-22-16(2)29-32(24(22)28-27-23)18-7-5-17(25)6-8-18/h5-10,15H,4,11-14H2,1-3H3
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 854n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method

Bioorg Med Chem 23: 3674-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.011
BindingDB Entry DOI: 10.7270/Q2SJ1NCF
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM50093558
PNG
(CHEMBL3585754)
Show SMILES CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(C)cc1)S(=O)(=O)N[C@@H](C)CC |r|
Show InChI InChI=1S/C24H28N6O3S/c1-6-16(4)29-34(31,32)19-12-13-21(33-7-2)20(14-19)23-25-22-17(5)28-30(24(22)27-26-23)18-10-8-15(3)9-11-18/h8-14,16,29H,6-7H2,1-5H3/t16-/m0/s1
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 3.44E+3n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method

Bioorg Med Chem 23: 3674-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.011
BindingDB Entry DOI: 10.7270/Q2SJ1NCF
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM50093557
PNG
(CHEMBL3585755)
Show SMILES CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(C)cc1)S(=O)(=O)N[C@H](C)CC |r|
Show InChI InChI=1S/C24H28N6O3S/c1-6-16(4)29-34(31,32)19-12-13-21(33-7-2)20(14-19)23-25-22-17(5)28-30(24(22)27-26-23)18-10-8-15(3)9-11-18/h8-14,16,29H,6-7H2,1-5H3/t16-/m1/s1
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 3.72E+3n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method

Bioorg Med Chem 23: 3674-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.011
BindingDB Entry DOI: 10.7270/Q2SJ1NCF
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM50093554
PNG
(CHEMBL3585758)
Show SMILES CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(Cl)cc1)S(=O)(=O)N1CCNCC1
Show InChI InChI=1S/C23H24ClN7O3S/c1-3-34-20-9-8-18(35(32,33)30-12-10-25-11-13-30)14-19(20)22-26-21-15(2)29-31(23(21)28-27-22)17-6-4-16(24)5-7-17/h4-9,14,25H,3,10-13H2,1-2H3
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 4.22E+3n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method

Bioorg Med Chem 23: 3674-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.011
BindingDB Entry DOI: 10.7270/Q2SJ1NCF
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM50093563
PNG
(CHEMBL3585749)
Show SMILES CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(C)cc1)S(N)(=O)=O
Show InChI InChI=1S/C20H20N6O3S/c1-4-29-17-10-9-15(30(21,27)28)11-16(17)19-22-18-13(3)25-26(20(18)24-23-19)14-7-5-12(2)6-8-14/h5-11H,4H2,1-3H3,(H2,21,27,28)
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 4.49E+3n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method

Bioorg Med Chem 23: 3674-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.011
BindingDB Entry DOI: 10.7270/Q2SJ1NCF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50093563
PNG
(CHEMBL3585749)
Show SMILES CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(C)cc1)S(N)(=O)=O
Show InChI InChI=1S/C20H20N6O3S/c1-4-29-17-10-9-15(30(21,27)28)11-16(17)19-22-18-13(3)25-26(20(18)24-23-19)14-7-5-12(2)6-8-14/h5-11H,4H2,1-3H3,(H2,21,27,28)
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 7.07E+3n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method

Bioorg Med Chem 23: 3674-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.011
BindingDB Entry DOI: 10.7270/Q2SJ1NCF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50093556
PNG
(CHEMBL3585756)
Show SMILES CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(c(Cl)c1)S(=O)(=O)N1CCN(C)CC1)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C29H36ClN9O5S2/c1-5-44-25-8-7-22(45(40,41)37-14-10-35(3)11-15-37)19-23(25)28-31-27-20(2)34-39(29(27)33-32-28)21-6-9-26(24(30)18-21)46(42,43)38-16-12-36(4)13-17-38/h6-9,18-19H,5,10-17H2,1-4H3
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>5.00E+4n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method

Bioorg Med Chem 23: 3674-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.011
BindingDB Entry DOI: 10.7270/Q2SJ1NCF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50093559
PNG
(CHEMBL3585753)
Show SMILES CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(C)cc1)S(=O)(=O)NC[C@@H](C)O |r|
Show InChI InChI=1S/C23H26N6O4S/c1-5-33-20-11-10-18(34(31,32)24-13-15(3)30)12-19(20)22-25-21-16(4)28-29(23(21)27-26-22)17-8-6-14(2)7-9-17/h6-12,15,24,30H,5,13H2,1-4H3/t15-/m1/s1
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>5.00E+4n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method

Bioorg Med Chem 23: 3674-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.011
BindingDB Entry DOI: 10.7270/Q2SJ1NCF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50093564
PNG
(CHEMBL3585748)
Show SMILES CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(cc1)S(=O)(=O)N1CCN(C)CC1)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C29H37N9O5S2/c1-5-43-26-11-10-24(45(41,42)37-18-14-35(4)15-19-37)20-25(26)28-30-27-21(2)33-38(29(27)32-31-28)22-6-8-23(9-7-22)44(39,40)36-16-12-34(3)13-17-36/h6-11,20H,5,12-19H2,1-4H3
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>5.00E+4n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method

Bioorg Med Chem 23: 3674-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.011
BindingDB Entry DOI: 10.7270/Q2SJ1NCF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50093554
PNG
(CHEMBL3585758)
Show SMILES CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(Cl)cc1)S(=O)(=O)N1CCNCC1
Show InChI InChI=1S/C23H24ClN7O3S/c1-3-34-20-9-8-18(35(32,33)30-12-10-25-11-13-30)14-19(20)22-26-21-15(2)29-31(23(21)28-27-22)17-6-4-16(24)5-7-17/h4-9,14,25H,3,10-13H2,1-2H3
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>5.00E+4n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-12 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method

Bioorg Med Chem 23: 3674-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.011
BindingDB Entry DOI: 10.7270/Q2SJ1NCF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50093562
PNG
(CHEMBL3585750)
Show SMILES CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(C)cc1)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C25H29N7O3S/c1-5-35-22-11-10-20(36(33,34)31-14-12-30(4)13-15-31)16-21(22)24-26-23-18(3)29-32(25(23)28-27-24)19-8-6-17(2)7-9-19/h6-11,16H,5,12-15H2,1-4H3
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>5.00E+4n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method

Bioorg Med Chem 23: 3674-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.011
BindingDB Entry DOI: 10.7270/Q2SJ1NCF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50093560
PNG
(CHEMBL3585752)
Show SMILES CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(C)cc1)S(=O)(=O)NC[C@H](C)O |r|
Show InChI InChI=1S/C23H26N6O4S/c1-5-33-20-11-10-18(34(31,32)24-13-15(3)30)12-19(20)22-25-21-16(4)28-29(23(21)27-26-22)17-8-6-14(2)7-9-17/h6-12,15,24,30H,5,13H2,1-4H3/t15-/m0/s1
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>5.00E+4n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method

Bioorg Med Chem 23: 3674-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.011
BindingDB Entry DOI: 10.7270/Q2SJ1NCF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50093557
PNG
(CHEMBL3585755)
Show SMILES CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(C)cc1)S(=O)(=O)N[C@H](C)CC |r|
Show InChI InChI=1S/C24H28N6O3S/c1-6-16(4)29-34(31,32)19-12-13-21(33-7-2)20(14-19)23-25-22-17(5)28-30(24(22)27-26-23)18-10-8-15(3)9-11-18/h8-14,16,29H,6-7H2,1-5H3/t16-/m1/s1
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>5.00E+4n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method

Bioorg Med Chem 23: 3674-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.011
BindingDB Entry DOI: 10.7270/Q2SJ1NCF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50093555
PNG
(CHEMBL3585757)
Show SMILES CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(Cl)cc1)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C24H26ClN7O3S/c1-4-35-21-10-9-19(36(33,34)31-13-11-30(3)12-14-31)15-20(21)23-26-22-16(2)29-32(24(22)28-27-23)18-7-5-17(25)6-8-18/h5-10,15H,4,11-14H2,1-3H3
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>5.00E+4n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method

Bioorg Med Chem 23: 3674-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.011
BindingDB Entry DOI: 10.7270/Q2SJ1NCF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50093561
PNG
(CHEMBL3585751)
Show SMILES CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(C)cc1)S(=O)(=O)NCCO
Show InChI InChI=1S/C22H24N6O4S/c1-4-32-19-10-9-17(33(30,31)23-11-12-29)13-18(19)21-24-20-15(3)27-28(22(20)26-25-21)16-7-5-14(2)6-8-16/h5-10,13,23,29H,4,11-12H2,1-3H3
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>5.00E+4n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method

Bioorg Med Chem 23: 3674-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.011
BindingDB Entry DOI: 10.7270/Q2SJ1NCF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50093558
PNG
(CHEMBL3585754)
Show SMILES CCOc1ccc(cc1-c1nnc2n(nc(C)c2n1)-c1ccc(C)cc1)S(=O)(=O)N[C@@H](C)CC |r|
Show InChI InChI=1S/C24H28N6O3S/c1-6-16(4)29-34(31,32)19-12-13-21(33-7-2)20(14-19)23-25-22-17(5)28-30(24(22)27-26-23)18-10-8-15(3)9-11-18/h8-14,16,29H,6-7H2,1-5H3/t16-/m0/s1
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>5.00E+4n/an/an/an/an/an/an/an/a



Siedlce University of Natural Sciences and Humanities

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay based Lineweaver-Burk plot method

Bioorg Med Chem 23: 3674-80 (2015)


Article DOI: 10.1016/j.bmc.2015.04.011
BindingDB Entry DOI: 10.7270/Q2SJ1NCF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%