Found 25 hits of kd for UniProtKB: P00921 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Carbonic anhydrase 2
(Bos taurus) | BDBM50271035
((S)-4-(1-(1-(3-aza-bicyclo[3.2.2]nonan-3-yl)-3-met...)Show SMILES CC(C)[C@@H](C(=O)N1CC2CCC(CC2)C1)n1cc(nn1)-c1ccc(cc1)S(N)(=O)=O |r,wU:3.16,THB:4:6:9.10:13.12,(12.04,-2.81,;11.56,-4.27,;10.05,-4.58,;12.58,-5.42,;14.09,-5.1,;15.11,-6.25,;14.57,-3.64,;15.59,-2.35,;15.19,-.74,;16.35,.25,;14.96,.02,;13.56,-1.17,;12.3,-.79,;13.73,-.09,;14.53,-2.3,;12.1,-6.88,;10.63,-7.35,;10.63,-8.89,;12.09,-9.37,;13,-8.13,;9.3,-9.67,;9.3,-11.22,;7.96,-11.99,;6.63,-11.22,;6.63,-9.67,;7.96,-8.9,;5.29,-11.99,;3.95,-12.75,;6.06,-13.33,;4.54,-10.65,)| Show InChI InChI=1S/C21H29N5O3S/c1-14(2)20(21(27)25-11-15-3-4-16(12-25)6-5-15)26-13-19(23-24-26)17-7-9-18(10-8-17)30(22,28)29/h7-10,13-16,20H,3-6,11-12H2,1-2H3,(H2,22,28,29)/t15?,16?,20-/m0/s1 | PDB MMDB
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| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a |
Astex Therapeutics Ltd.
Curated by ChEMBL
| Assay Description Inhibition of bovine carbonic anhydrase2 |
J Med Chem 51: 3661-80 (2008)
Article DOI: 10.1021/jm8000373 BindingDB Entry DOI: 10.7270/Q2N58M4H |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Bos taurus) | BDBM50514428
(CHEMBL4450233)Show SMILES CC(C)[C@H](C(=O)NCc1cc([18F])ccn1)n1cc(nn1)-c1ccc(cc1)S(N)(=O)=O |r| Show InChI InChI=1S/C19H21FN6O3S/c1-12(2)18(19(27)23-10-15-9-14(20)7-8-22-15)26-11-17(24-25-26)13-3-5-16(6-4-13)30(21,28)29/h3-9,11-12,18H,10H2,1-2H3,(H,23,27)(H2,21,28,29)/t18-/m1/s1/i20-1 | PDB MMDB
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| Article PubMed
| n/a | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a |
Univ. Lille
Curated by ChEMBL
| Assay Description Binding affinity to bovine carbonic anhydrase 2 |
J Med Chem 63: 3817-3833 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01183 BindingDB Entry DOI: 10.7270/Q2NZ8C0R |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Bos taurus) | BDBM50236140
(4-ethynyl benzene sulfonamide | 4-ethynylbenzenesu...)Show InChI InChI=1S/C8H7NO2S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h1,3-6H,(H2,9,10,11) | PDB MMDB
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| n/a | n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a |
Univ. Lille
Curated by ChEMBL
| Assay Description Binding affinity to bovine carbonic anhydrase 2 |
J Med Chem 63: 3817-3833 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01183 BindingDB Entry DOI: 10.7270/Q2NZ8C0R |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Bos taurus) | BDBM50236140
(4-ethynyl benzene sulfonamide | 4-ethynylbenzenesu...)Show InChI InChI=1S/C8H7NO2S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h1,3-6H,(H2,9,10,11) | PDB MMDB
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| Article PubMed
| n/a | n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a |
Astex Therapeutics Ltd.
Curated by ChEMBL
| Assay Description Inhibition of bovine carbonic anhydrase2 |
J Med Chem 51: 3661-80 (2008)
Article DOI: 10.1021/jm8000373 BindingDB Entry DOI: 10.7270/Q2N58M4H |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Bos taurus) | BDBM50210908
(3-morpholinbenzimidazo[1,2-c][1,2,3]thiadiazole-7-...)Show InChI InChI=1S/C12H13N5O3S2/c13-22(18,19)8-1-2-9-10(7-8)17-11(14-9)12(21-15-17)16-3-5-20-6-4-16/h1-2,7H,3-6H2,(H2,13,18,19) | PDB MMDB
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| Article PubMed
| n/a | n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description Binding affinity to bovine CA2 by typical isothermal titration calorimetry |
Bioorg Med Chem Lett 17: 3335-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.100 BindingDB Entry DOI: 10.7270/Q2C53KJ3 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Bos taurus) | BDBM36007
(3-chloro-5-fluoro-2-methylbenzene-1-sulfonamide | ...)Show InChI InChI=1S/C7H7ClFNO2S/c1-4-6(8)2-5(9)3-7(4)13(10,11)12/h2-3H,1H3,(H2,10,11,12) | PDB MMDB
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| | n/a | n/a | n/a | 96.8 | n/a | 7.88E+5 | 0.0763 | 7.4 | 25 |
University of Dundee
| Assay Description SPR biosensor assay Biacore T100 |
ACS Med Chem Lett 1: 44-8 (2010)
BindingDB Entry DOI: 10.7270/Q2BC3WXH |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Bos taurus) | BDBM50210909
(3-chlorobenzimidazo[1,2-c][1,2,3]thiadiazole-7-sul...)Show InChI InChI=1S/C8H5ClN4O2S2/c9-7-8-11-5-2-1-4(17(10,14)15)3-6(5)13(8)12-16-7/h1-3H,(H2,10,14,15) | PDB MMDB
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| Article PubMed
| n/a | n/a | n/a | 141 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description Binding affinity to bovine CA2 by typical isothermal titration calorimetry |
Bioorg Med Chem Lett 17: 3335-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.100 BindingDB Entry DOI: 10.7270/Q2C53KJ3 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Bos taurus) | BDBM36006
(2-oxo-1-propyl-2,3-dihydro-1H-1,3-benzodiazole-5-s...)Show InChI InChI=1S/C10H13N3O3S/c1-2-5-13-9-4-3-7(17(11,15)16)6-8(9)12-10(13)14/h3-4,6H,2,5H2,1H3,(H,12,14)(H2,11,15,16) | PDB MMDB
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| | n/a | n/a | n/a | 197 | n/a | 4.75E+5 | 0.0935 | 7.4 | 25 |
University of Dundee
| Assay Description SPR biosensor assay Biacore T100 |
ACS Med Chem Lett 1: 44-8 (2010)
BindingDB Entry DOI: 10.7270/Q2BC3WXH |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Bos taurus) | BDBM50210912
(3-phenylthiobenzimidazo[1,2-c][1,2,3]thiadiazol-7-...)Show InChI InChI=1S/C14H10N4O2S3/c15-23(19,20)10-6-7-11-12(8-10)18-13(16-11)14(22-17-18)21-9-4-2-1-3-5-9/h1-8H,(H2,15,19,20) | PDB MMDB
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| Article PubMed
| n/a | n/a | n/a | 285 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description Binding affinity to bovine CA2 by typical isothermal titration calorimetry |
Bioorg Med Chem Lett 17: 3335-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.100 BindingDB Entry DOI: 10.7270/Q2C53KJ3 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Bos taurus) | BDBM50210911
(CHEMBL442798 | benzimidazo[1,2-c][1,2,3]thiadiazol...)Show InChI InChI=1S/C8H6N4O2S2/c9-16(13,14)5-1-2-6-7(3-5)12-8(10-6)4-15-11-12/h1-4H,(H2,9,13,14) | PDB MMDB
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| Article PubMed
| n/a | n/a | n/a | 286 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description Binding affinity to bovine CA2 by typical isothermal titration calorimetry |
Bioorg Med Chem Lett 17: 3335-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.100 BindingDB Entry DOI: 10.7270/Q2C53KJ3 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Bos taurus) | BDBM36000
(3,5-dichlorobenzene-1-sulfonamide | SPR_4)Show InChI InChI=1S/C6H5Cl2NO2S/c7-4-1-5(8)3-6(2-4)12(9,10)11/h1-3H,(H2,9,10,11) | PDB MMDB
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| | n/a | n/a | n/a | 287 | n/a | 9.02E+5 | 0.259 | 7.4 | 25 |
University of Dundee
| Assay Description SPR biosensor assay Biacore T100 |
ACS Med Chem Lett 1: 44-8 (2010)
BindingDB Entry DOI: 10.7270/Q2BC3WXH |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Bos taurus) | BDBM50210910
(3-methylthiobenzimidazo[1,2-c][1,2,3]thiadiazol-7-...)Show InChI InChI=1S/C9H8N4O2S3/c1-16-9-8-11-6-3-2-5(18(10,14)15)4-7(6)13(8)12-17-9/h2-4H,1H3,(H2,10,14,15) | PDB MMDB
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| n/a | n/a | n/a | 322 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description Binding affinity to bovine CA2 by typical isothermal titration calorimetry |
Bioorg Med Chem Lett 17: 3335-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.100 BindingDB Entry DOI: 10.7270/Q2C53KJ3 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Bos taurus) | BDBM36008
(2-amino-1,3-benzothiazole-6-sulfonamide | SPR_12)Show InChI InChI=1S/C7H7N3O2S2/c8-7-10-5-2-1-4(14(9,11)12)3-6(5)13-7/h1-3H,(H2,8,10)(H2,9,11,12) | PDB MMDB
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| | n/a | n/a | n/a | 383 | n/a | 5.10E+4 | 0.0196 | 7.4 | 25 |
University of Dundee
| Assay Description SPR biosensor assay Biacore T100 |
ACS Med Chem Lett 1: 44-8 (2010)
BindingDB Entry DOI: 10.7270/Q2BC3WXH |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Bos taurus) | BDBM50210913
(3-(N-methylpiperazin)benzimidazo[1,2-c][1,2,3]thia...)Show SMILES CN1CCN(CC1)C1=S=Nn2c1nc1ccc(cc21)S(N)(=O)=O Show InChI InChI=1S/C13H16N6O2S2/c1-17-4-6-18(7-5-17)13-12-15-10-3-2-9(23(14,20)21)8-11(10)19(12)16-22-13/h2-3,8H,4-7H2,1H3,(H2,14,20,21) | PDB MMDB
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| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| n/a | n/a | n/a | 391 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description Binding affinity to bovine CA2 by typical isothermal titration calorimetry |
Bioorg Med Chem Lett 17: 3335-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.100 BindingDB Entry DOI: 10.7270/Q2C53KJ3 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Bos taurus) | BDBM36004
(2,4-difluorobenzene-1-sulfonamide | SPR_8)Show InChI InChI=1S/C6H5F2NO2S/c7-4-1-2-6(5(8)3-4)12(9,10)11/h1-3H,(H2,9,10,11) | PDB MMDB
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| | n/a | n/a | n/a | 394 | n/a | 2.72E+5 | 0.107 | 7.4 | 25 |
University of Dundee
| Assay Description SPR biosensor assay Biacore T100 |
ACS Med Chem Lett 1: 44-8 (2010)
BindingDB Entry DOI: 10.7270/Q2BC3WXH |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Bos taurus) | BDBM50210907
(3-methylsulfonylbenzimidazo[1,2-c][1,2,3]thiadiazo...)Show InChI InChI=1S/C9H8N4O4S3/c1-19(14,15)9-8-11-6-3-2-5(20(10,16)17)4-7(6)13(8)12-18-9/h2-4H,1H3,(H2,10,16,17) | PDB MMDB
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| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| n/a | n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology
Curated by ChEMBL
| Assay Description Binding affinity to bovine CA2 by typical isothermal titration calorimetry |
Bioorg Med Chem Lett 17: 3335-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.100 BindingDB Entry DOI: 10.7270/Q2C53KJ3 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Bos taurus) | BDBM36002
(2,3-dihydro-1,4-benzodioxine-6-sulfonamide | SPR_6)Show InChI InChI=1S/C8H9NO4S/c9-14(10,11)6-1-2-7-8(5-6)13-4-3-12-7/h1-2,5H,3-4H2,(H2,9,10,11) | PDB MMDB
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| | n/a | n/a | n/a | 817 | n/a | 1.34E+5 | 0.109 | 7.4 | 25 |
University of Dundee
| Assay Description SPR biosensor assay Biacore T100 |
ACS Med Chem Lett 1: 44-8 (2010)
BindingDB Entry DOI: 10.7270/Q2BC3WXH |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Bos taurus) | BDBM4703
(4-carboxybenzenesulfonamide 1 | 4-sulfamoylbenzoic...)Show InChI InChI=1S/C7H7NO4S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)(H2,8,11,12) | PDB MMDB
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| Article PubMed
| n/a | n/a | n/a | 890 | n/a | n/a | n/a | n/a | n/a |
Istituto Italiano di Tecnologia
Curated by ChEMBL
| Assay Description Binding affinity to bovine carbonic anhydrase-2 assessed as dissociation constant by SPR method |
J Med Chem 59: 4245-56 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01643 BindingDB Entry DOI: 10.7270/Q2PV6NB2 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Bos taurus) | BDBM35999
(2-methylbenzene-1-sulfonamide | SPR_3)Show InChI InChI=1S/C7H9NO2S/c1-6-4-2-3-5-7(6)11(8,9)10/h2-5H,1H3,(H2,8,9,10) | PDB MMDB
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| | n/a | n/a | n/a | 2.18E+3 | n/a | 1.10E+5 | 0.240 | 7.4 | 25 |
University of Dundee
| Assay Description SPR biosensor assay Biacore T100 |
ACS Med Chem Lett 1: 44-8 (2010)
BindingDB Entry DOI: 10.7270/Q2BC3WXH |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Bos taurus) | BDBM36005
(2,3-dihydro-1H-indole-5-sulfonamide | SPR_9)Show InChI InChI=1S/C8H10N2O2S/c9-13(11,12)7-1-2-8-6(5-7)3-4-10-8/h1-2,5,10H,3-4H2,(H2,9,11,12) | PDB MMDB
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| | n/a | n/a | n/a | 3.11E+3 | n/a | 1.88E+4 | 0.0585 | 7.4 | 25 |
University of Dundee
| Assay Description SPR biosensor assay Biacore T100 |
ACS Med Chem Lett 1: 44-8 (2010)
BindingDB Entry DOI: 10.7270/Q2BC3WXH |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Bos taurus) | BDBM10888
(1,2-benzoxazol-3-ylmethanesulfonamide | CHEMBL750 ...)Show InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12) | PDB MMDB
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| | n/a | n/a | n/a | 4.26E+3 | n/a | 1.43E+5 | 0.611 | 7.4 | 25 |
University of Dundee
| Assay Description SPR biosensor assay Biacore T100 |
ACS Med Chem Lett 1: 44-8 (2010)
BindingDB Entry DOI: 10.7270/Q2BC3WXH |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Bos taurus) | BDBM10857
(4-aminobenzene-1-sulfonamide | CHEMBL21 | Sulfanil...)Show InChI InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10) | PDB MMDB
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Patents
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| Article PubMed
| n/a | n/a | n/a | 5.88E+3 | n/a | n/a | n/a | n/a | n/a |
Istituto Italiano di Tecnologia
Curated by ChEMBL
| Assay Description Binding affinity to bovine carbonic anhydrase-2 assessed as dissociation constant by SPR method |
J Med Chem 59: 4245-56 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01643 BindingDB Entry DOI: 10.7270/Q2PV6NB2 |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Bos taurus) | BDBM36001
(6-aminopyridine-3-sulfonamide | SPR_5)Show InChI InChI=1S/C5H7N3O2S/c6-5-2-1-4(3-8-5)11(7,9)10/h1-3H,(H2,6,8)(H2,7,9,10) | PDB MMDB
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| | n/a | n/a | n/a | 1.08E+4 | n/a | 1.88E+4 | 0.203 | 7.4 | 25 |
University of Dundee
| Assay Description SPR biosensor assay Biacore T100 |
ACS Med Chem Lett 1: 44-8 (2010)
BindingDB Entry DOI: 10.7270/Q2BC3WXH |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Bos taurus) | BDBM36003
(1-methyl-1H-imidazole-4-sulfonamide | SPR_7)Show InChI InChI=1S/C4H7N3O2S/c1-7-2-4(6-3-7)10(5,8)9/h2-3H,1H3,(H2,5,8,9) | PDB MMDB
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| | n/a | n/a | n/a | 3.53E+4 | n/a | 4.65E+3 | 0.164 | 7.4 | 25 |
University of Dundee
| Assay Description SPR biosensor assay Biacore T100 |
ACS Med Chem Lett 1: 44-8 (2010)
BindingDB Entry DOI: 10.7270/Q2BC3WXH |
More data for this Ligand-Target Pair | |
Carbonic anhydrase 2
(Bos taurus) | BDBM35997
(1,4-dioxo-1,2,3,4-tetrahydro-1,2,3-benzothiadiazin...)Show InChI InChI=1S/C7H6N2O3S/c10-7-5-3-1-2-4-6(5)13(11,12)9-8-7/h1-4,9H,(H,8,10) | PDB MMDB
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| | n/a | n/a | n/a | 3.89E+4 | n/a | 4.99E+4 | 1.94 | 7.4 | 25 |
University of Dundee
| Assay Description SPR biosensor assay Biacore T100 |
ACS Med Chem Lett 1: 44-8 (2010)
BindingDB Entry DOI: 10.7270/Q2BC3WXH |
More data for this Ligand-Target Pair | |