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Compile Data Set for Download or QSAR

Found 23 hits with Last Name = 'malatynska' and Initial = 'e'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10887
PNG
(Sulfamate 7 | Topiramate (TPM) | US11535599, Examp...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r|
Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1
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300n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by ThermoFluor method


J Med Chem 52: 7528-36 (2009)


Article DOI: 10.1021/jm801432r
BindingDB Entry DOI: 10.7270/Q21J9BQD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10887
PNG
(Sulfamate 7 | Topiramate (TPM) | US11535599, Examp...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r|
Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by CO2 hydration assay


J Med Chem 52: 7528-36 (2009)


Article DOI: 10.1021/jm801432r
BindingDB Entry DOI: 10.7270/Q21J9BQD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50310430
PNG
(CHEMBL1084919 | N-[(4-bromo-1-benzothien-3-yl)meth...)
Show SMILES NS(=O)(=O)NCc1csc2cccc(Br)c12
Show InChI InChI=1S/C9H9BrN2O2S2/c10-7-2-1-3-8-9(7)6(5-15-8)4-12-16(11,13)14/h1-3,5,12H,4H2,(H2,11,13,14)
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n/an/a 3.70E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by CO2 hydration assay


J Med Chem 52: 7528-36 (2009)


Article DOI: 10.1021/jm801432r
BindingDB Entry DOI: 10.7270/Q21J9BQD
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50310434
PNG
(CHEMBL1077117 | N-(1-benzofuran-3-ylmethyl)sulfami...)
Show SMILES NS(=O)(=O)NCc1coc2ccccc12
Show InChI InChI=1S/C9H10N2O3S/c10-15(12,13)11-5-7-6-14-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H2,10,12,13)
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n/an/a 7.10E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by CO2 hydration assay


J Med Chem 52: 7528-36 (2009)


Article DOI: 10.1021/jm801432r
BindingDB Entry DOI: 10.7270/Q21J9BQD
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50310436
PNG
(CHEMBL1084675 | N-[(5-chloro-1-benzothien-3-yl)met...)
Show SMILES NS(=O)(=O)NCc1csc2ccc(Cl)cc12
Show InChI InChI=1S/C9H9ClN2O2S2/c10-7-1-2-9-8(3-7)6(5-15-9)4-12-16(11,13)14/h1-3,5,12H,4H2,(H2,11,13,14)
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n/an/a 8.40E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by fluorimetric assay


J Med Chem 52: 7528-36 (2009)


Article DOI: 10.1021/jm801432r
BindingDB Entry DOI: 10.7270/Q21J9BQD
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50310429
PNG
(CHEMBL1088203 | N-(1-naphthylmethyl)sulfamide)
Show SMILES NS(=O)(=O)NCc1cccc2ccccc12
Show InChI InChI=1S/C11H12N2O2S/c12-16(14,15)13-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,13H,8H2,(H2,12,14,15)
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n/an/a 2.10E+4n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by CO2 hydration assay


J Med Chem 52: 7528-36 (2009)


Article DOI: 10.1021/jm801432r
BindingDB Entry DOI: 10.7270/Q21J9BQD
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Rattus norvegicus)
BDBM50003655
PNG
(Phenytoin)
Show SMILES O=C1NC(=O)C(N1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)
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n/an/a 2.20E+4n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of rat Nav1.2 channel expressed in chinese hamster CHL1610 cells at preconditioning pulse of -67 mV after 2 to 3 mins by whole-cell patch-...


J Med Chem 52: 7528-36 (2009)


Article DOI: 10.1021/jm801432r
BindingDB Entry DOI: 10.7270/Q21J9BQD
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50259131
PNG
(CHEMBL466517 | JNJ-26990990 | N-((Benzo[b]thien-3-...)
Show SMILES NS(=O)(=O)NCc1csc2ccccc12
Show InChI InChI=1S/C9H10N2O2S2/c10-15(12,13)11-5-7-6-14-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H2,10,12,13)
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n/an/a 2.50E+4n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of carbonic anhydrase 1


J Med Chem 52: 7528-36 (2009)


Article DOI: 10.1021/jm801432r
BindingDB Entry DOI: 10.7270/Q21J9BQD
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50310433
PNG
(CHEMBL1077134 | N-[(2-methyl-1-benzofuran-3-yl)met...)
Show SMILES Cc1oc2ccccc2c1CNS(N)(=O)=O
Show InChI InChI=1S/C10H12N2O3S/c1-7-9(6-12-16(11,13)14)8-4-2-3-5-10(8)15-7/h2-5,12H,6H2,1H3,(H2,11,13,14)
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n/an/a 2.50E+4n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by CO2 hydration assay


J Med Chem 52: 7528-36 (2009)


Article DOI: 10.1021/jm801432r
BindingDB Entry DOI: 10.7270/Q21J9BQD
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50310431
PNG
(CHEMBL1084918 | N-[(5-fluoro-1-benzothien-3-yl)met...)
Show SMILES NS(=O)(=O)NCc1csc2ccc(F)cc12
Show InChI InChI=1S/C9H9FN2O2S2/c10-7-1-2-9-8(3-7)6(5-15-9)4-12-16(11,13)14/h1-3,5,12H,4H2,(H2,11,13,14)
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n/an/a 3.00E+4n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by CO2 hydration assay


J Med Chem 52: 7528-36 (2009)


Article DOI: 10.1021/jm801432r
BindingDB Entry DOI: 10.7270/Q21J9BQD
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))
BDBM50444089
PNG
(CHEMBL3092995)
Show SMILES NS(=O)(=O)NC[C@H]1COc2cc(Cl)ccc2O1 |r|
Show InChI InChI=1S/C9H11ClN2O4S/c10-6-1-2-8-9(3-6)15-5-7(16-8)4-12-17(11,13)14/h1-3,7,12H,4-5H2,(H2,11,13,14)/t7-/m0/s1
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n/an/a 3.40E+4n/an/an/an/an/an/a



Research& Development, Janssen Pharmaceutical Companies of Johnson& Johnson

Curated by ChEMBL


Assay Description
Inhibition of rat Cav2.2-mediated calcium flux expressed in HEK cells by FDSS assay


J Med Chem 56: 9019-30 (2013)


Article DOI: 10.1021/jm400894u
BindingDB Entry DOI: 10.7270/Q22B90HT
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Rattus norvegicus)
BDBM50031299
PNG
(6-(2,3-Dichloro-phenyl)-[1,2,4]triazine-3,5-diamin...)
Show SMILES Nc1nnc(c(N)n1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)
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n/an/a 3.50E+4n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of rat Nav1.2 channel expressed in chinese hamster CHL1610 cells at preconditioning pulse of -67 mV after 2 to 3 mins by whole-cell patch-...


J Med Chem 52: 7528-36 (2009)


Article DOI: 10.1021/jm801432r
BindingDB Entry DOI: 10.7270/Q21J9BQD
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50310438
PNG
(CHEMBL1086777 | N-[(5-methyl-1-benzothien-3-yl)met...)
Show SMILES Cc1ccc2scc(CNS(N)(=O)=O)c2c1
Show InChI InChI=1S/C10H12N2O2S2/c1-7-2-3-10-9(4-7)8(6-15-10)5-12-16(11,13)14/h2-4,6,12H,5H2,1H3,(H2,11,13,14)
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n/an/a 4.50E+4n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by fluorimetric assay


J Med Chem 52: 7528-36 (2009)


Article DOI: 10.1021/jm801432r
BindingDB Entry DOI: 10.7270/Q21J9BQD
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Rattus norvegicus)
BDBM50259131
PNG
(CHEMBL466517 | JNJ-26990990 | N-((Benzo[b]thien-3-...)
Show SMILES NS(=O)(=O)NCc1csc2ccccc12
Show InChI InChI=1S/C9H10N2O2S2/c10-15(12,13)11-5-7-6-14-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H2,10,12,13)
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n/an/a 4.80E+4n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of rat Nav1.2 channel expressed in chinese hamster CHL1610 cells at preconditioning pulse of -67 mV after 2 to 3 mins by whole-cell patch-...


J Med Chem 52: 7528-36 (2009)


Article DOI: 10.1021/jm801432r
BindingDB Entry DOI: 10.7270/Q21J9BQD
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50310432
PNG
(CHEMBL1084674 | N-[(1-methyl-1H-indol-3-yl)methyl]...)
Show SMILES Cn1cc(CNS(N)(=O)=O)c2ccccc12
Show InChI InChI=1S/C10H13N3O2S/c1-13-7-8(6-12-16(11,14)15)9-4-2-3-5-10(9)13/h2-5,7,12H,6H2,1H3,(H2,11,14,15)
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n/an/a 4.80E+4n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by CO2 hydration assay


J Med Chem 52: 7528-36 (2009)


Article DOI: 10.1021/jm801432r
BindingDB Entry DOI: 10.7270/Q21J9BQD
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50259131
PNG
(CHEMBL466517 | JNJ-26990990 | N-((Benzo[b]thien-3-...)
Show SMILES NS(=O)(=O)NCc1csc2ccccc12
Show InChI InChI=1S/C9H10N2O2S2/c10-15(12,13)11-5-7-6-14-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H2,10,12,13)
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n/an/a 6.60E+4n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by fluorimetric assay


J Med Chem 52: 7528-36 (2009)


Article DOI: 10.1021/jm801432r
BindingDB Entry DOI: 10.7270/Q21J9BQD
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))
BDBM50444089
PNG
(CHEMBL3092995)
Show SMILES NS(=O)(=O)NC[C@H]1COc2cc(Cl)ccc2O1 |r|
Show InChI InChI=1S/C9H11ClN2O4S/c10-6-1-2-8-9(3-6)15-5-7(16-8)4-12-17(11,13)14/h1-3,7,12H,4-5H2,(H2,11,13,14)/t7-/m0/s1
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n/an/a 7.00E+4n/an/an/an/an/an/a



Research& Development, Janssen Pharmaceutical Companies of Johnson& Johnson

Curated by ChEMBL


Assay Description
Inhibition of rat Cav2.2-mediated calcium flux expressed in HEK cells at 0.07 Hz by whole-cell patch-clamp assay


J Med Chem 56: 9019-30 (2013)


Article DOI: 10.1021/jm400894u
BindingDB Entry DOI: 10.7270/Q22B90HT
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Rattus norvegicus)
BDBM10887
PNG
(Sulfamate 7 | Topiramate (TPM) | US11535599, Examp...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1 |r|
Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1
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n/an/a 9.70E+4n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of rat Nav1.2 channel expressed in chinese hamster CHL1610 cells at preconditioning pulse of -67 mV after 2 to 3 mins by whole-cell patch-...


J Med Chem 52: 7528-36 (2009)


Article DOI: 10.1021/jm801432r
BindingDB Entry DOI: 10.7270/Q21J9BQD
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50310435
PNG
(CHEMBL1084920 | N-[(5-bromo-1-benzothien-3-yl)meth...)
Show SMILES NS(=O)(=O)NCc1csc2ccc(Br)cc12
Show InChI InChI=1S/C9H9BrN2O2S2/c10-7-1-2-9-8(3-7)6(5-15-9)4-12-16(11,13)14/h1-3,5,12H,4H2,(H2,11,13,14)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by fluorimetric assay


J Med Chem 52: 7528-36 (2009)


Article DOI: 10.1021/jm801432r
BindingDB Entry DOI: 10.7270/Q21J9BQD
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50259131
PNG
(CHEMBL466517 | JNJ-26990990 | N-((Benzo[b]thien-3-...)
Show SMILES NS(=O)(=O)NCc1csc2ccccc12
Show InChI InChI=1S/C9H10N2O2S2/c10-15(12,13)11-5-7-6-14-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H2,10,12,13)
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n/an/a 1.10E+5n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by CO2 hydration assay


J Med Chem 52: 7528-36 (2009)


Article DOI: 10.1021/jm801432r
BindingDB Entry DOI: 10.7270/Q21J9BQD
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50310428
PNG
(CHEMBL1088204 | rac-N-[1-(1-benzothien-3-yl)ethyl]...)
Show SMILES CC(NS(N)(=O)=O)c1csc2ccccc12
Show InChI InChI=1S/C10H12N2O2S2/c1-7(12-16(11,13)14)9-6-15-10-5-3-2-4-8(9)10/h2-7,12H,1H3,(H2,11,13,14)
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n/an/a 1.30E+5n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by CO2 hydration assay


J Med Chem 52: 7528-36 (2009)


Article DOI: 10.1021/jm801432r
BindingDB Entry DOI: 10.7270/Q21J9BQD
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))
BDBM50259131
PNG
(CHEMBL466517 | JNJ-26990990 | N-((Benzo[b]thien-3-...)
Show SMILES NS(=O)(=O)NCc1csc2ccccc12
Show InChI InChI=1S/C9H10N2O2S2/c10-15(12,13)11-5-7-6-14-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H2,10,12,13)
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n/an/a 1.33E+5n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of rat Cav2.2 channel expressed in 0.07 Hz frequency-stimulated HEK cells by whole-cell patch-clamp technique


J Med Chem 52: 7528-36 (2009)


Article DOI: 10.1021/jm801432r
BindingDB Entry DOI: 10.7270/Q21J9BQD
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50310437
PNG
(CHEMBL1084673 | N-(1H-indol-3-ylmethyl)sulfamide)
Show SMILES NS(=O)(=O)NCc1c[nH]c2ccccc12
Show InChI InChI=1S/C9H11N3O2S/c10-15(13,14)12-6-7-5-11-9-4-2-1-3-8(7)9/h1-5,11-12H,6H2,(H2,10,13,14)
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PubMed
n/an/a 3.00E+5n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by fluorimetric assay


J Med Chem 52: 7528-36 (2009)


Article DOI: 10.1021/jm801432r
BindingDB Entry DOI: 10.7270/Q21J9BQD
More data for this
Ligand-Target Pair