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PubMed code 22894736

Compile data set for download or QSAR
Found 99 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
Collagenase


(Homo sapiens (Human))
BDBM50146816
PNG
((cyclopentylamino)carbonylphosphonic acid | CHEMBL...)
Show SMILES OP(O)(=O)C(=O)NC1CCCC1
Show InChI InChI=1S/C6H12NO4P/c8-6(12(9,10)11)7-5-3-1-2-4-5/h5H,1-4H2,(H,7,8)(H2,9,10,11)
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n/an/a 80n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of MMP2


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50396791
PNG
(CHEMBL2172744)
Show SMILES OP(O)(=O)C(=O)NCCCCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C19H25N2O7PS/c22-19(29(23,24)25)20-14-6-1-2-7-15-21-30(26,27)18-12-10-17(11-13-18)28-16-8-4-3-5-9-16/h3-5,8-13,21H,1-2,6-7,14-15H2,(H,20,22)(H2,23,24,25)
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The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 2-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50396793
PNG
(CHEMBL2170079)
Show SMILES OP(O)(=O)C(=O)NCCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C17H21N2O7PS/c20-17(27(21,22)23)18-12-4-5-13-19-28(24,25)16-10-8-15(9-11-16)26-14-6-2-1-3-7-14/h1-3,6-11,19H,4-5,12-13H2,(H,18,20)(H2,21,22,23)
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The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 2-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50396802
PNG
(CHEMBL2172747)
Show SMILES C[C@@H](NC(=O)P(O)(O)=O)C1CCCCC1 |r|
Show InChI InChI=1S/C9H18NO4P/c1-7(8-5-3-2-4-6-8)10-9(11)15(12,13)14/h7-8H,2-6H2,1H3,(H,10,11)(H2,12,13,14)/t7-/m1/s1
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The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of MMP2


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50146805
PNG
(CHEMBL97951 | [(cyclohexylmethyl)amino]carbonylpho...)
Show SMILES OP(O)(=O)C(=O)NCC1CCCCC1
Show InChI InChI=1S/C8H16NO4P/c10-8(14(11,12)13)9-6-7-4-2-1-3-5-7/h7H,1-6H2,(H,9,10)(H2,11,12,13)
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The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of MMP2


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50396792
PNG
(CHEMBL2170080)
Show SMILES OP(O)(=O)C(=O)NCCCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C18H23N2O7PS/c21-18(28(22,23)24)19-13-5-2-6-14-20-29(25,26)17-11-9-16(10-12-17)27-15-7-3-1-4-8-15/h1,3-4,7-12,20H,2,5-6,13-14H2,(H,19,21)(H2,22,23,24)
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The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 2-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50396791
PNG
(CHEMBL2172744)
Show SMILES OP(O)(=O)C(=O)NCCCCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C19H25N2O7PS/c22-19(29(23,24)25)20-14-6-1-2-7-15-21-30(26,27)18-12-10-17(11-13-18)28-16-8-4-3-5-9-16/h3-5,8-13,21H,1-2,6-7,14-15H2,(H,20,22)(H2,23,24,25)
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The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 1-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50396792
PNG
(CHEMBL2170080)
Show SMILES OP(O)(=O)C(=O)NCCCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C18H23N2O7PS/c21-18(28(22,23)24)19-13-5-2-6-14-20-29(25,26)17-11-9-16(10-12-17)27-15-7-3-1-4-8-15/h1,3-4,7-12,20H,2,5-6,13-14H2,(H,19,21)(H2,22,23,24)
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The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 1-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50396794
PNG
(CHEMBL2170078)
Show SMILES OP(O)(=O)C(=O)NCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C16H19N2O7PS/c19-16(26(20,21)22)17-11-4-12-18-27(23,24)15-9-7-14(8-10-15)25-13-5-2-1-3-6-13/h1-3,5-10,18H,4,11-12H2,(H,17,19)(H2,20,21,22)
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The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 2-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50396790
PNG
(CHEMBL2172745)
Show SMILES OP(O)(=O)C(=O)NCCNC(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C16H17N2O6P/c19-15(17-10-11-18-16(20)25(21,22)23)12-6-8-14(9-7-12)24-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,17,19)(H,18,20)(H2,21,22,23)
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The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 2-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50396790
PNG
(CHEMBL2172745)
Show SMILES OP(O)(=O)C(=O)NCCNC(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C16H17N2O6P/c19-15(17-10-11-18-16(20)25(21,22)23)12-6-8-14(9-7-12)24-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,17,19)(H,18,20)(H2,21,22,23)
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The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 1-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50396794
PNG
(CHEMBL2170078)
Show SMILES OP(O)(=O)C(=O)NCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C16H19N2O7PS/c19-16(26(20,21)22)17-11-4-12-18-27(23,24)15-9-7-14(8-10-15)25-13-5-2-1-3-6-13/h1-3,5-10,18H,4,11-12H2,(H,17,19)(H2,20,21,22)
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The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 1-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50396793
PNG
(CHEMBL2170079)
Show SMILES OP(O)(=O)C(=O)NCCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C17H21N2O7PS/c20-17(27(21,22)23)18-12-4-5-13-19-28(24,25)16-10-8-15(9-11-16)26-14-6-2-1-3-7-14/h1-3,6-11,19H,4-5,12-13H2,(H,18,20)(H2,21,22,23)
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The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 1-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50396795
PNG
(CHEMBL2170077)
Show SMILES OP(O)(=O)C(=O)NCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C15H17N2O7PS/c18-15(25(19,20)21)16-10-11-17-26(22,23)14-8-6-13(7-9-14)24-12-4-2-1-3-5-12/h1-9,17H,10-11H2,(H,16,18)(H2,19,20,21)
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n/an/a 820n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 2-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50396795
PNG
(CHEMBL2170077)
Show SMILES OP(O)(=O)C(=O)NCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C15H17N2O7PS/c18-15(25(19,20)21)16-10-11-17-26(22,23)14-8-6-13(7-9-14)24-12-4-2-1-3-5-12/h1-9,17H,10-11H2,(H,16,18)(H2,19,20,21)
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n/an/a 980n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 1-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50146798
PNG
((cyclooctylamino)carbonylphosphonic acid | CHEMBL9...)
Show SMILES OP(O)(=O)C(=O)NC1CCCCCCC1
Show InChI InChI=1S/C9H18NO4P/c11-9(15(12,13)14)10-8-6-4-2-1-3-5-7-8/h8H,1-7H2,(H,10,11)(H2,12,13,14)
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n/an/a 1.00E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of MMP2


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50396803
PNG
(CHEMBL2172746)
Show SMILES C[C@H](NC(=O)P(O)(O)=O)C1CCCCC1 |r|
Show InChI InChI=1S/C9H18NO4P/c1-7(8-5-3-2-4-6-8)10-9(11)15(12,13)14/h7-8H,2-6H2,1H3,(H,10,11)(H2,12,13,14)/t7-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of MMP2


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50146799
PNG
((isopropylamino)carbonylphosphonic acid | CHEMBL97...)
Show SMILES CC(C)NC(=O)P(O)(O)=O
Show InChI InChI=1S/C4H10NO4P/c1-3(2)5-4(6)10(7,8)9/h3H,1-2H3,(H,5,6)(H2,7,8,9)
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The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of MMP2


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50396796
PNG
(CHEMBL2172751)
Show SMILES N[C@@H]1CCCC[C@@H]1NC(=O)P(O)(O)=O |r|
Show InChI InChI=1S/C7H15N2O4P/c8-5-3-1-2-4-6(5)9-7(10)14(11,12)13/h5-6H,1-4,8H2,(H,9,10)(H2,11,12,13)/t5-,6+/m1/s1
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n/an/a 1.32E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 2-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50396796
PNG
(CHEMBL2172751)
Show SMILES N[C@@H]1CCCC[C@@H]1NC(=O)P(O)(O)=O |r|
Show InChI InChI=1S/C7H15N2O4P/c8-5-3-1-2-4-6(5)9-7(10)14(11,12)13/h5-6H,1-4,8H2,(H,9,10)(H2,11,12,13)/t5-,6+/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 1-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50396800
PNG
(CHEMBL2172749)
Show SMILES CCOP(=O)(OCC)C(=O)NCCCCNC(=O)P(=O)(OCC)OCC
Show InChI InChI=1S/C14H30N2O8P2/c1-5-21-25(19,22-6-2)13(17)15-11-9-10-12-16-14(18)26(20,23-7-3)24-8-4/h5-12H2,1-4H3,(H,15,17)(H,16,18)
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n/an/a 2.72E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 12-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50146801
PNG
((cyclohexylamino)carbonylphosphonic acid | CHEMBL3...)
Show SMILES OP(O)(=O)C(=O)NC1CCCCC1
Show InChI InChI=1S/C7H14NO4P/c9-7(13(10,11)12)8-6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9)(H2,10,11,12)
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n/an/a 3.00E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of MMP2


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50146808
PNG
(CHEMBL318664 | [(1-ethylpropyl)amino]carbonylphosp...)
Show SMILES CCC(CC)NC(=O)P(O)(O)=O
Show InChI InChI=1S/C6H14NO4P/c1-3-5(4-2)7-6(8)12(9,10)11/h5H,3-4H2,1-2H3,(H,7,8)(H2,9,10,11)
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n/an/a 3.00E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of MMP2


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50396791
PNG
(CHEMBL2172744)
Show SMILES OP(O)(=O)C(=O)NCCCCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C19H25N2O7PS/c22-19(29(23,24)25)20-14-6-1-2-7-15-21-30(26,27)18-12-10-17(11-13-18)28-16-8-4-3-5-9-16/h3-5,8-13,21H,1-2,6-7,14-15H2,(H,20,22)(H2,23,24,25)
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n/an/a 4.00E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 measured every 5 mins for 3 hrs


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50396792
PNG
(CHEMBL2170080)
Show SMILES OP(O)(=O)C(=O)NCCCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C18H23N2O7PS/c21-18(28(22,23)24)19-13-5-2-6-14-20-29(25,26)17-11-9-16(10-12-17)27-15-7-3-1-4-8-15/h1,3-4,7-12,20H,2,5-6,13-14H2,(H,19,21)(H2,22,23,24)
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n/an/a 4.00E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 measured every 5 mins for 3 hrs


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50146808
PNG
(CHEMBL318664 | [(1-ethylpropyl)amino]carbonylphosp...)
Show SMILES CCC(CC)NC(=O)P(O)(O)=O
Show InChI InChI=1S/C6H14NO4P/c1-3-5(4-2)7-6(8)12(9,10)11/h5H,3-4H2,1-2H3,(H,7,8)(H2,9,10,11)
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n/an/a 4.65E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 12-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50396803
PNG
(CHEMBL2172746)
Show SMILES C[C@H](NC(=O)P(O)(O)=O)C1CCCCC1 |r|
Show InChI InChI=1S/C9H18NO4P/c1-7(8-5-3-2-4-6-8)10-9(11)15(12,13)14/h7-8H,2-6H2,1H3,(H,10,11)(H2,12,13,14)/t7-/m0/s1
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n/an/a 5.31E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 1-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50396798
PNG
(CHEMBL1801472)
Show SMILES OP(O)(=O)C(=O)NCCN1CCCC1
Show InChI InChI=1S/C7H15N2O4P/c10-7(14(11,12)13)8-3-6-9-4-1-2-5-9/h1-6H2,(H,8,10)(H2,11,12,13)
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n/an/a 5.43E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 12-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50112446
PNG
(CHEMBL24447 | [(2-phenylethyl)amino]carbonylphosph...)
Show SMILES OP(O)(=O)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C9H12NO4P/c11-9(15(12,13)14)10-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)(H2,12,13,14)
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n/an/a 5.44E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 12-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50146801
PNG
((cyclohexylamino)carbonylphosphonic acid | CHEMBL3...)
Show SMILES OP(O)(=O)C(=O)NC1CCCCC1
Show InChI InChI=1S/C7H14NO4P/c9-7(13(10,11)12)8-6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9)(H2,10,11,12)
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n/an/a 5.59E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 12-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50396793
PNG
(CHEMBL2170079)
Show SMILES OP(O)(=O)C(=O)NCCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C17H21N2O7PS/c20-17(27(21,22)23)18-12-4-5-13-19-28(24,25)16-10-8-15(9-11-16)26-14-6-2-1-3-7-14/h1-3,6-11,19H,4-5,12-13H2,(H,18,20)(H2,21,22,23)
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n/an/a 5.60E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 12-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50396792
PNG
(CHEMBL2170080)
Show SMILES OP(O)(=O)C(=O)NCCCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C18H23N2O7PS/c21-18(28(22,23)24)19-13-5-2-6-14-20-29(25,26)17-11-9-16(10-12-17)27-15-7-3-1-4-8-15/h1,3-4,7-12,20H,2,5-6,13-14H2,(H,19,21)(H2,22,23,24)
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n/an/a 5.70E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 12-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50396796
PNG
(CHEMBL2172751)
Show SMILES N[C@@H]1CCCC[C@@H]1NC(=O)P(O)(O)=O |r|
Show InChI InChI=1S/C7H15N2O4P/c8-5-3-1-2-4-6(5)9-7(10)14(11,12)13/h5-6H,1-4,8H2,(H,9,10)(H2,11,12,13)/t5-,6+/m1/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 12-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50396801
PNG
(CHEMBL2172748)
Show SMILES OP(O)(=O)C(=O)NCCCCNC(=O)P(O)(O)=O
Show InChI InChI=1S/C6H14N2O8P2/c9-5(17(11,12)13)7-3-1-2-4-8-6(10)18(14,15)16/h1-4H2,(H,7,9)(H,8,10)(H2,11,12,13)(H2,14,15,16)
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n/an/a 6.02E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 12-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50112446
PNG
(CHEMBL24447 | [(2-phenylethyl)amino]carbonylphosph...)
Show SMILES OP(O)(=O)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C9H12NO4P/c11-9(15(12,13)14)10-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)(H2,12,13,14)
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n/an/a 6.08E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 9-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50396793
PNG
(CHEMBL2170079)
Show SMILES OP(O)(=O)C(=O)NCCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C17H21N2O7PS/c20-17(27(21,22)23)18-12-4-5-13-19-28(24,25)16-10-8-15(9-11-16)26-14-6-2-1-3-7-14/h1-3,6-11,19H,4-5,12-13H2,(H,18,20)(H2,21,22,23)
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n/an/a 6.10E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 9-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50396791
PNG
(CHEMBL2172744)
Show SMILES OP(O)(=O)C(=O)NCCCCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C19H25N2O7PS/c22-19(29(23,24)25)20-14-6-1-2-7-15-21-30(26,27)18-12-10-17(11-13-18)28-16-8-4-3-5-9-16/h3-5,8-13,21H,1-2,6-7,14-15H2,(H,20,22)(H2,23,24,25)
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n/an/a 6.20E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 12-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50396792
PNG
(CHEMBL2170080)
Show SMILES OP(O)(=O)C(=O)NCCCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C18H23N2O7PS/c21-18(28(22,23)24)19-13-5-2-6-14-20-29(25,26)17-11-9-16(10-12-17)27-15-7-3-1-4-8-15/h1,3-4,7-12,20H,2,5-6,13-14H2,(H,19,21)(H2,22,23,24)
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n/an/a 6.30E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 9-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50396803
PNG
(CHEMBL2172746)
Show SMILES C[C@H](NC(=O)P(O)(O)=O)C1CCCCC1 |r|
Show InChI InChI=1S/C9H18NO4P/c1-7(8-5-3-2-4-6-8)10-9(11)15(12,13)14/h7-8H,2-6H2,1H3,(H,10,11)(H2,12,13,14)/t7-/m0/s1
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n/an/a 6.36E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 9-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50396794
PNG
(CHEMBL2170078)
Show SMILES OP(O)(=O)C(=O)NCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C16H19N2O7PS/c19-16(26(20,21)22)17-11-4-12-18-27(23,24)15-9-7-14(8-10-15)25-13-5-2-1-3-6-13/h1-3,5-10,18H,4,11-12H2,(H,17,19)(H2,20,21,22)
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n/an/a 6.40E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 12-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50396803
PNG
(CHEMBL2172746)
Show SMILES C[C@H](NC(=O)P(O)(O)=O)C1CCCCC1 |r|
Show InChI InChI=1S/C9H18NO4P/c1-7(8-5-3-2-4-6-8)10-9(11)15(12,13)14/h7-8H,2-6H2,1H3,(H,10,11)(H2,12,13,14)/t7-/m0/s1
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n/an/a 6.64E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 12-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50146808
PNG
(CHEMBL318664 | [(1-ethylpropyl)amino]carbonylphosp...)
Show SMILES CCC(CC)NC(=O)P(O)(O)=O
Show InChI InChI=1S/C6H14NO4P/c1-3-5(4-2)7-6(8)12(9,10)11/h5H,3-4H2,1-2H3,(H,7,8)(H2,9,10,11)
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n/an/a 6.71E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 1-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50396802
PNG
(CHEMBL2172747)
Show SMILES C[C@@H](NC(=O)P(O)(O)=O)C1CCCCC1 |r|
Show InChI InChI=1S/C9H18NO4P/c1-7(8-5-3-2-4-6-8)10-9(11)15(12,13)14/h7-8H,2-6H2,1H3,(H,10,11)(H2,12,13,14)/t7-/m1/s1
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n/an/a 6.78E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 1-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50396794
PNG
(CHEMBL2170078)
Show SMILES OP(O)(=O)C(=O)NCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C16H19N2O7PS/c19-16(26(20,21)22)17-11-4-12-18-27(23,24)15-9-7-14(8-10-15)25-13-5-2-1-3-6-13/h1-3,5-10,18H,4,11-12H2,(H,17,19)(H2,20,21,22)
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n/an/a 6.80E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 9-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50396795
PNG
(CHEMBL2170077)
Show SMILES OP(O)(=O)C(=O)NCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C15H17N2O7PS/c18-15(25(19,20)21)16-10-11-17-26(22,23)14-8-6-13(7-9-14)24-12-4-2-1-3-5-12/h1-9,17H,10-11H2,(H,16,18)(H2,19,20,21)
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n/an/a 6.90E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 12-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50396802
PNG
(CHEMBL2172747)
Show SMILES C[C@@H](NC(=O)P(O)(O)=O)C1CCCCC1 |r|
Show InChI InChI=1S/C9H18NO4P/c1-7(8-5-3-2-4-6-8)10-9(11)15(12,13)14/h7-8H,2-6H2,1H3,(H,10,11)(H2,12,13,14)/t7-/m1/s1
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n/an/a 6.97E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 12-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50396793
PNG
(CHEMBL2170079)
Show SMILES OP(O)(=O)C(=O)NCCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C17H21N2O7PS/c20-17(27(21,22)23)18-12-4-5-13-19-28(24,25)16-10-8-15(9-11-16)26-14-6-2-1-3-7-14/h1-3,6-11,19H,4-5,12-13H2,(H,18,20)(H2,21,22,23)
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n/an/a 7.00E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 measured every 5 mins for 3 hrs


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50396795
PNG
(CHEMBL2170077)
Show SMILES OP(O)(=O)C(=O)NCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C15H17N2O7PS/c18-15(25(19,20)21)16-10-11-17-26(22,23)14-8-6-13(7-9-14)24-12-4-2-1-3-5-12/h1-9,17H,10-11H2,(H,16,18)(H2,19,20,21)
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n/an/a 7.00E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 9-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50396791
PNG
(CHEMBL2172744)
Show SMILES OP(O)(=O)C(=O)NCCCCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C19H25N2O7PS/c22-19(29(23,24)25)20-14-6-1-2-7-15-21-30(26,27)18-12-10-17(11-13-18)28-16-8-4-3-5-9-16/h3-5,8-13,21H,1-2,6-7,14-15H2,(H,20,22)(H2,23,24,25)
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n/an/a 7.00E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 9-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50396797
PNG
(CHEMBL2172750)
Show SMILES N[C@H]1CCCC[C@@H]1NC(=O)P(O)(O)=O |r|
Show InChI InChI=1S/C7H15N2O4P/c8-5-3-1-2-4-6(5)9-7(10)14(11,12)13/h5-6H,1-4,8H2,(H,9,10)(H2,11,12,13)/t5-,6-/m0/s1
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n/an/a 7.14E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 9-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50146816
PNG
((cyclopentylamino)carbonylphosphonic acid | CHEMBL...)
Show SMILES OP(O)(=O)C(=O)NC1CCCC1
Show InChI InChI=1S/C6H12NO4P/c8-6(12(9,10)11)7-5-3-1-2-4-5/h5H,1-4H2,(H,7,8)(H2,9,10,11)
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n/an/a 7.26E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 12-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50146799
PNG
((isopropylamino)carbonylphosphonic acid | CHEMBL97...)
Show SMILES CC(C)NC(=O)P(O)(O)=O
Show InChI InChI=1S/C4H10NO4P/c1-3(2)5-4(6)10(7,8)9/h3H,1-2H3,(H,5,6)(H2,7,8,9)
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n/an/a 7.27E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 12-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50146805
PNG
(CHEMBL97951 | [(cyclohexylmethyl)amino]carbonylpho...)
Show SMILES OP(O)(=O)C(=O)NCC1CCCCC1
Show InChI InChI=1S/C8H16NO4P/c10-8(14(11,12)13)9-6-7-4-2-1-3-5-7/h7H,1-6H2,(H,9,10)(H2,11,12,13)
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n/an/a 7.36E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 1-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50146816
PNG
((cyclopentylamino)carbonylphosphonic acid | CHEMBL...)
Show SMILES OP(O)(=O)C(=O)NC1CCCC1
Show InChI InChI=1S/C6H12NO4P/c8-6(12(9,10)11)7-5-3-1-2-4-5/h5H,1-4H2,(H,7,8)(H2,9,10,11)
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n/an/a 7.41E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 2-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50146805
PNG
(CHEMBL97951 | [(cyclohexylmethyl)amino]carbonylpho...)
Show SMILES OP(O)(=O)C(=O)NCC1CCCCC1
Show InChI InChI=1S/C8H16NO4P/c10-8(14(11,12)13)9-6-7-4-2-1-3-5-7/h7H,1-6H2,(H,9,10)(H2,11,12,13)
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n/an/a 7.44E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 12-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50396799
PNG
(CHEMBL1801471)
Show SMILES OP(O)(=O)C(=O)NCCN1CCCCC1
Show InChI InChI=1S/C8H17N2O4P/c11-8(15(12,13)14)9-4-7-10-5-2-1-3-6-10/h1-7H2,(H,9,11)(H2,12,13,14)
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n/an/a 7.64E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 12-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50112446
PNG
(CHEMBL24447 | [(2-phenylethyl)amino]carbonylphosph...)
Show SMILES OP(O)(=O)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C9H12NO4P/c11-9(15(12,13)14)10-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)(H2,12,13,14)
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n/an/a 7.68E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 1-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50396799
PNG
(CHEMBL1801471)
Show SMILES OP(O)(=O)C(=O)NCCN1CCCCC1
Show InChI InChI=1S/C8H17N2O4P/c11-8(15(12,13)14)9-4-7-10-5-2-1-3-6-10/h1-7H2,(H,9,11)(H2,12,13,14)
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n/an/a 7.82E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 1-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50146798
PNG
((cyclooctylamino)carbonylphosphonic acid | CHEMBL9...)
Show SMILES OP(O)(=O)C(=O)NC1CCCCCCC1
Show InChI InChI=1S/C9H18NO4P/c11-9(15(12,13)14)10-8-6-4-2-1-3-5-7-8/h8H,1-7H2,(H,10,11)(H2,12,13,14)
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n/an/a 7.89E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 2-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50146801
PNG
((cyclohexylamino)carbonylphosphonic acid | CHEMBL3...)
Show SMILES OP(O)(=O)C(=O)NC1CCCCC1
Show InChI InChI=1S/C7H14NO4P/c9-7(13(10,11)12)8-6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9)(H2,10,11,12)
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n/an/a 7.89E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 1-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50146798
PNG
((cyclooctylamino)carbonylphosphonic acid | CHEMBL9...)
Show SMILES OP(O)(=O)C(=O)NC1CCCCCCC1
Show InChI InChI=1S/C9H18NO4P/c11-9(15(12,13)14)10-8-6-4-2-1-3-5-7-8/h8H,1-7H2,(H,10,11)(H2,12,13,14)
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n/an/a 7.99E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 12-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50112446
PNG
(CHEMBL24447 | [(2-phenylethyl)amino]carbonylphosph...)
Show SMILES OP(O)(=O)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C9H12NO4P/c11-9(15(12,13)14)10-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)(H2,12,13,14)
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n/an/a 8.00E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 2-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50146798
PNG
((cyclooctylamino)carbonylphosphonic acid | CHEMBL9...)
Show SMILES OP(O)(=O)C(=O)NC1CCCCCCC1
Show InChI InChI=1S/C9H18NO4P/c11-9(15(12,13)14)10-8-6-4-2-1-3-5-7-8/h8H,1-7H2,(H,10,11)(H2,12,13,14)
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n/an/a 8.02E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 1-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50396802
PNG
(CHEMBL2172747)
Show SMILES C[C@@H](NC(=O)P(O)(O)=O)C1CCCCC1 |r|
Show InChI InChI=1S/C9H18NO4P/c1-7(8-5-3-2-4-6-8)10-9(11)15(12,13)14/h7-8H,2-6H2,1H3,(H,10,11)(H2,12,13,14)/t7-/m1/s1
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n/an/a 8.12E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 9-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50396797
PNG
(CHEMBL2172750)
Show SMILES N[C@H]1CCCC[C@@H]1NC(=O)P(O)(O)=O |r|
Show InChI InChI=1S/C7H15N2O4P/c8-5-3-1-2-4-6(5)9-7(10)14(11,12)13/h5-6H,1-4,8H2,(H,9,10)(H2,11,12,13)/t5-,6-/m0/s1
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n/an/a 8.24E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 1-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50396797
PNG
(CHEMBL2172750)
Show SMILES N[C@H]1CCCC[C@@H]1NC(=O)P(O)(O)=O |r|
Show InChI InChI=1S/C7H15N2O4P/c8-5-3-1-2-4-6(5)9-7(10)14(11,12)13/h5-6H,1-4,8H2,(H,9,10)(H2,11,12,13)/t5-,6-/m0/s1
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n/an/a 8.26E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 12-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50146808
PNG
(CHEMBL318664 | [(1-ethylpropyl)amino]carbonylphosp...)
Show SMILES CCC(CC)NC(=O)P(O)(O)=O
Show InChI InChI=1S/C6H14NO4P/c1-3-5(4-2)7-6(8)12(9,10)11/h5H,3-4H2,1-2H3,(H,7,8)(H2,9,10,11)
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n/an/a 8.26E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 9-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50396797
PNG
(CHEMBL2172750)
Show SMILES N[C@H]1CCCC[C@@H]1NC(=O)P(O)(O)=O |r|
Show InChI InChI=1S/C7H15N2O4P/c8-5-3-1-2-4-6(5)9-7(10)14(11,12)13/h5-6H,1-4,8H2,(H,9,10)(H2,11,12,13)/t5-,6-/m0/s1
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n/an/a 8.28E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 2-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50146799
PNG
((isopropylamino)carbonylphosphonic acid | CHEMBL97...)
Show SMILES CC(C)NC(=O)P(O)(O)=O
Show InChI InChI=1S/C4H10NO4P/c1-3(2)5-4(6)10(7,8)9/h3H,1-2H3,(H,5,6)(H2,7,8,9)
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n/an/a 8.30E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 9-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50146805
PNG
(CHEMBL97951 | [(cyclohexylmethyl)amino]carbonylpho...)
Show SMILES OP(O)(=O)C(=O)NCC1CCCCC1
Show InChI InChI=1S/C8H16NO4P/c10-8(14(11,12)13)9-6-7-4-2-1-3-5-7/h7H,1-6H2,(H,9,10)(H2,11,12,13)
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n/an/a 8.59E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 9-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50396790
PNG
(CHEMBL2172745)
Show SMILES OP(O)(=O)C(=O)NCCNC(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C16H17N2O6P/c19-15(17-10-11-18-16(20)25(21,22)23)12-6-8-14(9-7-12)24-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,17,19)(H,18,20)(H2,21,22,23)
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n/an/a 8.60E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 12-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50396796
PNG
(CHEMBL2172751)
Show SMILES N[C@@H]1CCCC[C@@H]1NC(=O)P(O)(O)=O |r|
Show InChI InChI=1S/C7H15N2O4P/c8-5-3-1-2-4-6(5)9-7(10)14(11,12)13/h5-6H,1-4,8H2,(H,9,10)(H2,11,12,13)/t5-,6+/m1/s1
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n/an/a 8.60E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 9-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50396799
PNG
(CHEMBL1801471)
Show SMILES OP(O)(=O)C(=O)NCCN1CCCCC1
Show InChI InChI=1S/C8H17N2O4P/c11-8(15(12,13)14)9-4-7-10-5-2-1-3-6-10/h1-7H2,(H,9,11)(H2,12,13,14)
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n/an/a 8.60E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 2-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50146816
PNG
((cyclopentylamino)carbonylphosphonic acid | CHEMBL...)
Show SMILES OP(O)(=O)C(=O)NC1CCCC1
Show InChI InChI=1S/C6H12NO4P/c8-6(12(9,10)11)7-5-3-1-2-4-5/h5H,1-4H2,(H,7,8)(H2,9,10,11)
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n/an/a 8.79E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 1-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50146808
PNG
(CHEMBL318664 | [(1-ethylpropyl)amino]carbonylphosp...)
Show SMILES CCC(CC)NC(=O)P(O)(O)=O
Show InChI InChI=1S/C6H14NO4P/c1-3-5(4-2)7-6(8)12(9,10)11/h5H,3-4H2,1-2H3,(H,7,8)(H2,9,10,11)
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n/an/a 8.79E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 2-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50396798
PNG
(CHEMBL1801472)
Show SMILES OP(O)(=O)C(=O)NCCN1CCCC1
Show InChI InChI=1S/C7H15N2O4P/c10-7(14(11,12)13)8-3-6-9-4-1-2-5-9/h1-6H2,(H,8,10)(H2,11,12,13)
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n/an/a 8.80E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 9-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50146799
PNG
((isopropylamino)carbonylphosphonic acid | CHEMBL97...)
Show SMILES CC(C)NC(=O)P(O)(O)=O
Show InChI InChI=1S/C4H10NO4P/c1-3(2)5-4(6)10(7,8)9/h3H,1-2H3,(H,5,6)(H2,7,8,9)
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n/an/a 8.81E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 1-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50146801
PNG
((cyclohexylamino)carbonylphosphonic acid | CHEMBL3...)
Show SMILES OP(O)(=O)C(=O)NC1CCCCC1
Show InChI InChI=1S/C7H14NO4P/c9-7(13(10,11)12)8-6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9)(H2,10,11,12)
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n/an/a 8.81E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 2-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50396801
PNG
(CHEMBL2172748)
Show SMILES OP(O)(=O)C(=O)NCCCCNC(=O)P(O)(O)=O
Show InChI InChI=1S/C6H14N2O8P2/c9-5(17(11,12)13)7-3-1-2-4-8-6(10)18(14,15)16/h1-4H2,(H,7,9)(H,8,10)(H2,11,12,13)(H2,14,15,16)
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n/an/a 8.82E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 2-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50396802
PNG
(CHEMBL2172747)
Show SMILES C[C@@H](NC(=O)P(O)(O)=O)C1CCCCC1 |r|
Show InChI InChI=1S/C9H18NO4P/c1-7(8-5-3-2-4-6-8)10-9(11)15(12,13)14/h7-8H,2-6H2,1H3,(H,10,11)(H2,12,13,14)/t7-/m1/s1
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n/an/a 8.85E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 2-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50146801
PNG
((cyclohexylamino)carbonylphosphonic acid | CHEMBL3...)
Show SMILES OP(O)(=O)C(=O)NC1CCCCC1
Show InChI InChI=1S/C7H14NO4P/c9-7(13(10,11)12)8-6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9)(H2,10,11,12)
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n/an/a 8.89E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 9-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50146816
PNG
((cyclopentylamino)carbonylphosphonic acid | CHEMBL...)
Show SMILES OP(O)(=O)C(=O)NC1CCCC1
Show InChI InChI=1S/C6H12NO4P/c8-6(12(9,10)11)7-5-3-1-2-4-5/h5H,1-4H2,(H,7,8)(H2,9,10,11)
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n/an/a 8.97E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 9-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50396799
PNG
(CHEMBL1801471)
Show SMILES OP(O)(=O)C(=O)NCCN1CCCCC1
Show InChI InChI=1S/C8H17N2O4P/c11-8(15(12,13)14)9-4-7-10-5-2-1-3-6-10/h1-7H2,(H,9,11)(H2,12,13,14)
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n/an/a 9.00E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 9-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50396801
PNG
(CHEMBL2172748)
Show SMILES OP(O)(=O)C(=O)NCCCCNC(=O)P(O)(O)=O
Show InChI InChI=1S/C6H14N2O8P2/c9-5(17(11,12)13)7-3-1-2-4-8-6(10)18(14,15)16/h1-4H2,(H,7,9)(H,8,10)(H2,11,12,13)(H2,14,15,16)
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n/an/a 9.10E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 9-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50146798
PNG
((cyclooctylamino)carbonylphosphonic acid | CHEMBL9...)
Show SMILES OP(O)(=O)C(=O)NC1CCCCCCC1
Show InChI InChI=1S/C9H18NO4P/c11-9(15(12,13)14)10-8-6-4-2-1-3-5-7-8/h8H,1-7H2,(H,10,11)(H2,12,13,14)
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n/an/a 9.14E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 9-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50146805
PNG
(CHEMBL97951 | [(cyclohexylmethyl)amino]carbonylpho...)
Show SMILES OP(O)(=O)C(=O)NCC1CCCCC1
Show InChI InChI=1S/C8H16NO4P/c10-8(14(11,12)13)9-6-7-4-2-1-3-5-7/h7H,1-6H2,(H,9,10)(H2,11,12,13)
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n/an/a 9.23E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 2-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50396798
PNG
(CHEMBL1801472)
Show SMILES OP(O)(=O)C(=O)NCCN1CCCC1
Show InChI InChI=1S/C7H15N2O4P/c10-7(14(11,12)13)8-3-6-9-4-1-2-5-9/h1-6H2,(H,8,10)(H2,11,12,13)
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n/an/a 9.43E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 1-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50396803
PNG
(CHEMBL2172746)
Show SMILES C[C@H](NC(=O)P(O)(O)=O)C1CCCCC1 |r|
Show InChI InChI=1S/C9H18NO4P/c1-7(8-5-3-2-4-6-8)10-9(11)15(12,13)14/h7-8H,2-6H2,1H3,(H,10,11)(H2,12,13,14)/t7-/m0/s1
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n/an/a 9.45E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 2-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50396800
PNG
(CHEMBL2172749)
Show SMILES CCOP(=O)(OCC)C(=O)NCCCCNC(=O)P(=O)(OCC)OCC
Show InChI InChI=1S/C14H30N2O8P2/c1-5-21-25(19,22-6-2)13(17)15-11-9-10-12-16-14(18)26(20,23-7-3)24-8-4/h5-12H2,1-4H3,(H,15,17)(H,16,18)
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n/an/a 9.59E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 2-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50396800
PNG
(CHEMBL2172749)
Show SMILES CCOP(=O)(OCC)C(=O)NCCCCNC(=O)P(=O)(OCC)OCC
Show InChI InChI=1S/C14H30N2O8P2/c1-5-21-25(19,22-6-2)13(17)15-11-9-10-12-16-14(18)26(20,23-7-3)24-8-4/h5-12H2,1-4H3,(H,15,17)(H,16,18)
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n/an/a 9.65E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 9-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50396798
PNG
(CHEMBL1801472)
Show SMILES OP(O)(=O)C(=O)NCCN1CCCC1
Show InChI InChI=1S/C7H15N2O4P/c10-7(14(11,12)13)8-3-6-9-4-1-2-5-9/h1-6H2,(H,8,10)(H2,11,12,13)
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n/an/a 9.66E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 2-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50396800
PNG
(CHEMBL2172749)
Show SMILES CCOP(=O)(OCC)C(=O)NCCCCNC(=O)P(=O)(OCC)OCC
Show InChI InChI=1S/C14H30N2O8P2/c1-5-21-25(19,22-6-2)13(17)15-11-9-10-12-16-14(18)26(20,23-7-3)24-8-4/h5-12H2,1-4H3,(H,15,17)(H,16,18)
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n/an/a 9.70E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 1-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50396801
PNG
(CHEMBL2172748)
Show SMILES OP(O)(=O)C(=O)NCCCCNC(=O)P(O)(O)=O
Show InChI InChI=1S/C6H14N2O8P2/c9-5(17(11,12)13)7-3-1-2-4-8-6(10)18(14,15)16/h1-4H2,(H,7,9)(H,8,10)(H2,11,12,13)(H2,14,15,16)
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n/an/a 9.74E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 1-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50396790
PNG
(CHEMBL2172745)
Show SMILES OP(O)(=O)C(=O)NCCNC(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C16H17N2O6P/c19-15(17-10-11-18-16(20)25(21,22)23)12-6-8-14(9-7-12)24-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,17,19)(H,18,20)(H2,21,22,23)
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n/an/a 9.90E+3n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 9-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50396794
PNG
(CHEMBL2170078)
Show SMILES OP(O)(=O)C(=O)NCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C16H19N2O7PS/c19-16(26(20,21)22)17-11-4-12-18-27(23,24)15-9-7-14(8-10-15)25-13-5-2-1-3-6-13/h1-3,5-10,18H,4,11-12H2,(H,17,19)(H2,20,21,22)
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n/an/a 1.00E+4n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 measured every 5 mins for 3 hrs


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50146799
PNG
((isopropylamino)carbonylphosphonic acid | CHEMBL97...)
Show SMILES CC(C)NC(=O)P(O)(O)=O
Show InChI InChI=1S/C4H10NO4P/c1-3(2)5-4(6)10(7,8)9/h3H,1-2H3,(H,5,6)(H2,7,8,9)
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n/an/a 1.39E+4n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human Carbonic anhydrase 2-mediated CO2 hydration by stopped-flow method


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50396795
PNG
(CHEMBL2170077)
Show SMILES OP(O)(=O)C(=O)NCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C15H17N2O7PS/c18-15(25(19,20)21)16-10-11-17-26(22,23)14-8-6-13(7-9-14)24-12-4-2-1-3-5-12/h1-9,17H,10-11H2,(H,16,18)(H2,19,20,21)
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n/an/a 1.50E+4n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 measured every 5 mins for 3 hrs


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50112446
PNG
(CHEMBL24447 | [(2-phenylethyl)amino]carbonylphosph...)
Show SMILES OP(O)(=O)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C9H12NO4P/c11-9(15(12,13)14)10-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)(H2,12,13,14)
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n/an/a 2.00E+4n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of MMP2


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50396790
PNG
(CHEMBL2172745)
Show SMILES OP(O)(=O)C(=O)NCCNC(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C16H17N2O6P/c19-15(17-10-11-18-16(20)25(21,22)23)12-6-8-14(9-7-12)24-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,17,19)(H,18,20)(H2,21,22,23)
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n/an/a 2.00E+4n/an/an/an/an/an/a



The Hebrew University of Jerusalem

Curated by ChEMBL


Assay Description
Inhibition of MMP2


J Med Chem 55: 7875-82 (2012)


Article DOI: 10.1021/jm300981b
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%