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Compile Data Set for Download or QSAR

Found 145 hits with Last Name = 'scholz' and Initial = 'th'   
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
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50369371
PNG
(CHEMBL1790750)
Show SMILES CC[C@@H](C)[C@@H](CN(CC(=O)N[C@@H](CCO)C(O)=O)Cc1cccc2ccccc12)NC[C@@H](N)CS
Show InChI InChI=1S/C26H40N4O4S/c1-3-18(2)24(28-13-21(27)17-35)15-30(16-25(32)29-23(11-12-31)26(33)34)14-20-9-6-8-19-7-4-5-10-22(19)20/h4-10,18,21,23-24,28,31,35H,3,11-17,27H2,1-2H3,(H,29,32)(H,33,34)/t18-,21-,23+,24-/m1/s1
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n/an/a 0.123n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]FPP incorporation into recombinant human Ha-Ras by Farnesyltransferase


J Med Chem 41: 2651-6 (1998)


Article DOI: 10.1021/jm9800907
BindingDB Entry DOI: 10.7270/Q2WW7JCV
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50366557
PNG
(CHEMBL1790748)
Show SMILES CC[C@@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(O)=O)Cc1ccccc1)NC[C@@H](N)CS
Show InChI InChI=1S/C23H40N4O3S2/c1-4-17(2)21(25-12-19(24)16-31)14-27(13-18-8-6-5-7-9-18)15-22(28)26-20(23(29)30)10-11-32-3/h5-9,17,19-21,25,31H,4,10-16,24H2,1-3H3,(H,26,28)(H,29,30)/t17-,19-,20+,21-/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]FPP incorporation into recombinant human Ha-Ras by Farnesyltransferase


J Med Chem 41: 2651-6 (1998)


Article DOI: 10.1021/jm9800907
BindingDB Entry DOI: 10.7270/Q2WW7JCV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406451
PNG
(CHEMBL104754)
Show SMILES NS(=O)(=O)c1ccc(SCCCCO)c(F)c1
Show InChI InChI=1S/C10H14FNO3S2/c11-9-7-8(17(12,14)15)3-4-10(9)16-6-2-1-5-13/h3-4,7,13H,1-2,5-6H2,(H2,12,14,15)
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n/an/a 1.5n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


J Med Chem 34: 3098-105 (1991)


Article DOI: 10.1021/jm00114a020
BindingDB Entry DOI: 10.7270/Q2SJ1MTV
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50369364
PNG
(CHEMBL1790760)
Show SMILES CC[C@@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(O)=O)Cc1ccccc1)NCCCS
Show InChI InChI=1S/C23H39N3O3S2/c1-4-18(2)21(24-12-8-13-30)16-26(15-19-9-6-5-7-10-19)17-22(27)25-20(23(28)29)11-14-31-3/h5-7,9-10,18,20-21,24,30H,4,8,11-17H2,1-3H3,(H,25,27)(H,28,29)/t18-,20+,21-/m1/s1
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n/an/a 2.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]FPP incorporation into recombinant human Ha-Ras by Farnesyltransferase


J Med Chem 41: 2651-6 (1998)


Article DOI: 10.1021/jm9800907
BindingDB Entry DOI: 10.7270/Q2WW7JCV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406425
PNG
(CHEMBL104621)
Show SMILES NS(=O)(=O)c1ccc(s1)S(=O)(=O)CCCCO
Show InChI InChI=1S/C8H13NO5S3/c9-17(13,14)8-4-3-7(15-8)16(11,12)6-2-1-5-10/h3-4,10H,1-2,5-6H2,(H2,9,13,14)
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n/an/a 2.30n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


J Med Chem 34: 3098-105 (1991)


Article DOI: 10.1021/jm00114a020
BindingDB Entry DOI: 10.7270/Q2SJ1MTV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406337
PNG
(CHEMBL352281)
Show SMILES CC(C)(C)C(=O)Oc1ccc2oc(cc2c1)S(N)(=O)=O
Show InChI InChI=1S/C13H15NO5S/c1-13(2,3)12(15)18-9-4-5-10-8(6-9)7-11(19-10)20(14,16)17/h4-7H,1-3H3,(H2,14,16,17)
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n/an/a 3n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of human carbonic anhydrase II (0.1 nM).


J Med Chem 33: 749-54 (1990)


Article DOI: 10.1021/jm00164a045
BindingDB Entry DOI: 10.7270/Q2K075GW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406446
PNG
(CHEMBL107437)
Show SMILES NS(=O)(=O)c1ccc(SCCCCO)s1
Show InChI InChI=1S/C8H13NO3S3/c9-15(11,12)8-4-3-7(14-8)13-6-2-1-5-10/h3-4,10H,1-2,5-6H2,(H2,9,11,12)
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n/an/a 3n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


J Med Chem 34: 3098-105 (1991)


Article DOI: 10.1021/jm00114a020
BindingDB Entry DOI: 10.7270/Q2SJ1MTV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50044312
PNG
(CHEMBL302780 | Fluoro-(octane-1-sulfonyl)-methanes...)
Show SMILES CCCCCCCCS(=O)(=O)C(F)S(N)(=O)=O
Show InChI InChI=1S/C9H20FNO4S2/c1-2-3-4-5-6-7-8-16(12,13)9(10)17(11,14)15/h9H,2-8H2,1H3,(H2,11,14,15)
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n/an/a 3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of purified human erythrocyte carbonic anhydrase II


J Med Chem 36: 2134-41 (1993)


Article DOI: 10.1021/jm00067a012
BindingDB Entry DOI: 10.7270/Q2GX49N1
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406461
PNG
(CHEMBL322223)
Show SMILES NS(=O)(=O)c1ccc(SCCCO)c(F)c1
Show InChI InChI=1S/C9H12FNO3S2/c10-8-6-7(16(11,13)14)2-3-9(8)15-5-1-4-12/h2-3,6,12H,1,4-5H2,(H2,11,13,14)
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n/an/a 3.5n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


J Med Chem 34: 3098-105 (1991)


Article DOI: 10.1021/jm00114a020
BindingDB Entry DOI: 10.7270/Q2SJ1MTV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406457
PNG
(CHEMBL319397)
Show SMILES NS(=O)(=O)c1ccc(c(F)c1)S(=O)(=O)CCCCO
Show InChI InChI=1S/C10H14FNO5S2/c11-9-7-8(19(12,16)17)3-4-10(9)18(14,15)6-2-1-5-13/h3-4,7,13H,1-2,5-6H2,(H2,12,16,17)
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n/an/a 4n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


J Med Chem 34: 3098-105 (1991)


Article DOI: 10.1021/jm00114a020
BindingDB Entry DOI: 10.7270/Q2SJ1MTV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406442
PNG
(CHEMBL319239)
Show SMILES NS(=O)(=O)c1ccc(SCCCCCO)cc1
Show InChI InChI=1S/C11H17NO3S2/c12-17(14,15)11-6-4-10(5-7-11)16-9-3-1-2-8-13/h4-7,13H,1-3,8-9H2,(H2,12,14,15)
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n/an/a 4.30n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


J Med Chem 34: 3098-105 (1991)


Article DOI: 10.1021/jm00114a020
BindingDB Entry DOI: 10.7270/Q2SJ1MTV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406441
PNG
(CHEMBL320808)
Show SMILES COCC(=O)OCCCS(=O)(=O)c1ccc(s1)S(N)(=O)=O
Show InChI InChI=1S/C10H15NO7S3/c1-17-7-8(12)18-5-2-6-20(13,14)9-3-4-10(19-9)21(11,15)16/h3-4H,2,5-7H2,1H3,(H2,11,15,16)
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n/an/a 4.5n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


J Med Chem 34: 3098-105 (1991)


Article DOI: 10.1021/jm00114a020
BindingDB Entry DOI: 10.7270/Q2SJ1MTV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406459
PNG
(CHEMBL104868)
Show SMILES NS(=O)(=O)c1ccc(c(F)c1)S(=O)(=O)CCCO
Show InChI InChI=1S/C9H12FNO5S2/c10-8-6-7(18(11,15)16)2-3-9(8)17(13,14)5-1-4-12/h2-3,6,12H,1,4-5H2,(H2,11,15,16)
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n/an/a 4.5n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


J Med Chem 34: 3098-105 (1991)


Article DOI: 10.1021/jm00114a020
BindingDB Entry DOI: 10.7270/Q2SJ1MTV
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50369370
PNG
(CHEMBL1790745)
Show SMILES CC[C@@H](C)[C@@H](CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(O)=O)NC[C@@H](N)CS
Show InChI InChI=1S/C23H40N4O3S2/c1-4-16(2)21(25-13-18(24)15-31)14-26-20(12-17-8-6-5-7-9-17)22(28)27-19(23(29)30)10-11-32-3/h5-9,16,18-21,25-26,31H,4,10-15,24H2,1-3H3,(H,27,28)(H,29,30)/t16-,18-,19+,20+,21-/m1/s1
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n/an/a 4.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]FPP incorporation into recombinant human Ha-Ras by Farnesyltransferase


J Med Chem 41: 2651-6 (1998)


Article DOI: 10.1021/jm9800907
BindingDB Entry DOI: 10.7270/Q2WW7JCV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406431
PNG
(CHEMBL104929)
Show SMILES NS(=O)(=O)c1ccc(c(F)c1)S(=O)(=O)CCO
Show InChI InChI=1S/C8H10FNO5S2/c9-7-5-6(17(10,14)15)1-2-8(7)16(12,13)4-3-11/h1-2,5,11H,3-4H2,(H2,10,14,15)
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n/an/a 5n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


J Med Chem 34: 3098-105 (1991)


Article DOI: 10.1021/jm00114a020
BindingDB Entry DOI: 10.7270/Q2SJ1MTV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406448
PNG
(CHEMBL104666)
Show SMILES CC(=O)OCCCS(=O)(=O)c1ccc(s1)S(N)(=O)=O
Show InChI InChI=1S/C9H13NO6S3/c1-7(11)16-5-2-6-18(12,13)8-3-4-9(17-8)19(10,14)15/h3-4H,2,5-6H2,1H3,(H2,10,14,15)
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n/an/a 5n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


J Med Chem 34: 3098-105 (1991)


Article DOI: 10.1021/jm00114a020
BindingDB Entry DOI: 10.7270/Q2SJ1MTV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406325
PNG
(CHEMBL162280)
Show SMILES COc1ccc2oc(cc2c1)S(N)(=O)=O
Show InChI InChI=1S/C9H9NO4S/c1-13-7-2-3-8-6(4-7)5-9(14-8)15(10,11)12/h2-5H,1H3,(H2,10,11,12)
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n/an/a 5.10n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of human carbonic anhydrase II (0.1 nM).


J Med Chem 33: 749-54 (1990)


Article DOI: 10.1021/jm00164a045
BindingDB Entry DOI: 10.7270/Q2K075GW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406340
PNG
(CHEMBL424188)
Show SMILES CC(=O)Oc1ccc2cc(oc2c1)S(N)(=O)=O
Show InChI InChI=1S/C10H9NO5S/c1-6(12)15-8-3-2-7-4-10(17(11,13)14)16-9(7)5-8/h2-5H,1H3,(H2,11,13,14)
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n/an/a 5.5n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of human carbonic anhydrase II (0.1 nM).


J Med Chem 33: 749-54 (1990)


Article DOI: 10.1021/jm00164a045
BindingDB Entry DOI: 10.7270/Q2K075GW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406429
PNG
(CHEMBL104442)
Show SMILES CC(=O)OCCS(=O)(=O)c1ccc(s1)S(N)(=O)=O
Show InChI InChI=1S/C8H11NO6S3/c1-6(10)15-4-5-17(11,12)7-2-3-8(16-7)18(9,13)14/h2-3H,4-5H2,1H3,(H2,9,13,14)
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n/an/a 5.5n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


J Med Chem 34: 3098-105 (1991)


Article DOI: 10.1021/jm00114a020
BindingDB Entry DOI: 10.7270/Q2SJ1MTV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406449
PNG
(CHEMBL105725)
Show SMILES NS(=O)(=O)c1ccc(s1)S(=O)(=O)CCCO
Show InChI InChI=1S/C7H11NO5S3/c8-16(12,13)7-3-2-6(14-7)15(10,11)5-1-4-9/h2-3,9H,1,4-5H2,(H2,8,12,13)
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n/an/a 6n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


J Med Chem 34: 3098-105 (1991)


Article DOI: 10.1021/jm00114a020
BindingDB Entry DOI: 10.7270/Q2SJ1MTV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406440
PNG
(CHEMBL104463)
Show SMILES NS(=O)(=O)c1ccc(s1)S(=O)(=O)CCO
Show InChI InChI=1S/C6H9NO5S3/c7-15(11,12)6-2-1-5(13-6)14(9,10)4-3-8/h1-2,8H,3-4H2,(H2,7,11,12)
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n/an/a 6n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


J Med Chem 34: 3098-105 (1991)


Article DOI: 10.1021/jm00114a020
BindingDB Entry DOI: 10.7270/Q2SJ1MTV
More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50031179
PNG
((S)-2-((R)-2-Amino-3-mercapto-propylamino)-3-methy...)
Show SMILES CCC(C)[C@H](NC[C@@H](N)CS)C(=O)Nc1cccc(C)c1
Show InChI InChI=1S/C16H27N3OS/c1-4-12(3)15(18-9-13(17)10-21)16(20)19-14-7-5-6-11(2)8-14/h5-8,12-13,15,18,21H,4,9-10,17H2,1-3H3,(H,19,20)/t12?,13-,15+/m1/s1
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n/an/a 6.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of bovine Geranylgeranyl transferase type I


J Med Chem 38: 3967-71 (1995)


Article DOI: 10.1021/jm00020a010
BindingDB Entry DOI: 10.7270/Q2XS5TD4
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406324
PNG
(CHEMBL349815)
Show SMILES NS(=O)(=O)c1cc2cc(O)ccc2o1
Show InChI InChI=1S/C8H7NO4S/c9-14(11,12)8-4-5-3-6(10)1-2-7(5)13-8/h1-4,10H,(H2,9,11,12)
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n/an/a 6.5n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of human carbonic anhydrase II (0.1 nM).


J Med Chem 33: 749-54 (1990)


Article DOI: 10.1021/jm00164a045
BindingDB Entry DOI: 10.7270/Q2K075GW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406329
PNG
(CHEMBL165124)
Show SMILES CC(=O)Oc1ccc2oc(cc2c1)S(N)(=O)=O
Show InChI InChI=1S/C10H9NO5S/c1-6(12)15-8-2-3-9-7(4-8)5-10(16-9)17(11,13)14/h2-5H,1H3,(H2,11,13,14)
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n/an/a 6.5n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of human carbonic anhydrase II (0.1 nM).


J Med Chem 33: 749-54 (1990)


Article DOI: 10.1021/jm00164a045
BindingDB Entry DOI: 10.7270/Q2K075GW
More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50031169
PNG
((S)-2-((R)-2-Amino-3-mercapto-propylamino)-3-methy...)
Show SMILES CCC(C)[C@H](NC[C@@H](N)CS)C(=O)NCc1cccc(Cl)c1Cl
Show InChI InChI=1S/C16H25Cl2N3OS/c1-3-10(2)15(20-8-12(19)9-23)16(22)21-7-11-5-4-6-13(17)14(11)18/h4-6,10,12,15,20,23H,3,7-9,19H2,1-2H3,(H,21,22)/t10?,12-,15+/m1/s1
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n/an/a 6.80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of bovine Geranylgeranyl transferase type I


J Med Chem 38: 3967-71 (1995)


Article DOI: 10.1021/jm00020a010
BindingDB Entry DOI: 10.7270/Q2XS5TD4
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406428
PNG
(CHEMBL105731)
Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)CCCCO
Show InChI InChI=1S/C10H15NO5S2/c11-18(15,16)10-5-3-9(4-6-10)17(13,14)8-2-1-7-12/h3-6,12H,1-2,7-8H2,(H2,11,15,16)
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n/an/a 7n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


J Med Chem 34: 3098-105 (1991)


Article DOI: 10.1021/jm00114a020
BindingDB Entry DOI: 10.7270/Q2SJ1MTV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406334
PNG
(CHEMBL121086)
Show SMILES CC(C)(C)C(=O)Oc1ccc2cc(oc2c1)S(N)(=O)=O
Show InChI InChI=1S/C13H15NO5S/c1-13(2,3)12(15)18-9-5-4-8-6-11(20(14,16)17)19-10(8)7-9/h4-7H,1-3H3,(H2,14,16,17)
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n/an/a 7n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of human carbonic anhydrase II (0.1 nM).


J Med Chem 33: 749-54 (1990)


Article DOI: 10.1021/jm00164a045
BindingDB Entry DOI: 10.7270/Q2K075GW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406336
PNG
(CHEMBL165346)
Show SMILES NS(=O)(=O)c1cc2ccccc2o1
Show InChI InChI=1S/C8H7NO3S/c9-13(10,11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H2,9,10,11)
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n/an/a 8n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of human carbonic anhydrase II (0.1 nM).


J Med Chem 33: 749-54 (1990)


Article DOI: 10.1021/jm00164a045
BindingDB Entry DOI: 10.7270/Q2K075GW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406445
PNG
(CHEMBL105637)
Show SMILES NS(=O)(=O)c1ccc(CCCCCO)cc1
Show InChI InChI=1S/C11H17NO3S/c12-16(14,15)11-7-5-10(6-8-11)4-2-1-3-9-13/h5-8,13H,1-4,9H2,(H2,12,14,15)
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n/an/a 8n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


J Med Chem 34: 3098-105 (1991)


Article DOI: 10.1021/jm00114a020
BindingDB Entry DOI: 10.7270/Q2SJ1MTV
More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50031167
PNG
((S)-2-((R)-2-Amino-3-mercapto-propylamino)-3-methy...)
Show SMILES CCC(C)[C@H](NC[C@@H](N)CS)C(=O)Nc1cccc(C)c1C
Show InChI InChI=1S/C17H29N3OS/c1-5-11(2)16(19-9-14(18)10-22)17(21)20-15-8-6-7-12(3)13(15)4/h6-8,11,14,16,19,22H,5,9-10,18H2,1-4H3,(H,20,21)/t11?,14-,16+/m1/s1
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n/an/a 8.20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of bovine Geranylgeranyl transferase type I


J Med Chem 38: 3967-71 (1995)


Article DOI: 10.1021/jm00020a010
BindingDB Entry DOI: 10.7270/Q2XS5TD4
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406447
PNG
(CHEMBL107266)
Show SMILES NS(=O)(=O)c1ccc(SCCO)c(F)c1
Show InChI InChI=1S/C8H10FNO3S2/c9-7-5-6(15(10,12)13)1-2-8(7)14-4-3-11/h1-2,5,11H,3-4H2,(H2,10,12,13)
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n/an/a 9n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


J Med Chem 34: 3098-105 (1991)


Article DOI: 10.1021/jm00114a020
BindingDB Entry DOI: 10.7270/Q2SJ1MTV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406456
PNG
(CHEMBL107537)
Show SMILES NS(=O)(=O)c1ccc(SCCCCO)cc1
Show InChI InChI=1S/C10H15NO3S2/c11-16(13,14)10-5-3-9(4-6-10)15-8-2-1-7-12/h3-6,12H,1-2,7-8H2,(H2,11,13,14)
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n/an/a 9n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


J Med Chem 34: 3098-105 (1991)


Article DOI: 10.1021/jm00114a020
BindingDB Entry DOI: 10.7270/Q2SJ1MTV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406460
PNG
(CHEMBL105607)
Show SMILES NS(=O)(=O)c1ccc(SCCCO)c(Cl)c1
Show InChI InChI=1S/C9H12ClNO3S2/c10-8-6-7(16(11,13)14)2-3-9(8)15-5-1-4-12/h2-3,6,12H,1,4-5H2,(H2,11,13,14)
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n/an/a 9n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


J Med Chem 34: 3098-105 (1991)


Article DOI: 10.1021/jm00114a020
BindingDB Entry DOI: 10.7270/Q2SJ1MTV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406335
PNG
(CHEMBL164126)
Show SMILES Nc1ccc2oc(cc2c1)S(N)(=O)=O
Show InChI InChI=1S/C8H8N2O3S/c9-6-1-2-7-5(3-6)4-8(13-7)14(10,11)12/h1-4H,9H2,(H2,10,11,12)
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n/an/a 9n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of human carbonic anhydrase II (0.1 nM).


J Med Chem 33: 749-54 (1990)


Article DOI: 10.1021/jm00164a045
BindingDB Entry DOI: 10.7270/Q2K075GW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50405896
PNG
(CHEMBL314803)
Show SMILES NS(=O)(=O)c1cc2ccc(O)cc2s1
Show InChI InChI=1S/C8H7NO3S2/c9-14(11,12)8-3-5-1-2-6(10)4-7(5)13-8/h1-4,10H,(H2,9,11,12)
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n/an/a 9.90n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of human carbonic anhydrase II (0.1 nM).


J Med Chem 33: 749-54 (1990)


Article DOI: 10.1021/jm00164a045
BindingDB Entry DOI: 10.7270/Q2K075GW
More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50369371
PNG
(CHEMBL1790750)
Show SMILES CC[C@@H](C)[C@@H](CN(CC(=O)N[C@@H](CCO)C(O)=O)Cc1cccc2ccccc12)NC[C@@H](N)CS
Show InChI InChI=1S/C26H40N4O4S/c1-3-18(2)24(28-13-21(27)17-35)15-30(16-25(32)29-23(11-12-31)26(33)34)14-20-9-6-8-19-7-4-5-10-22(19)20/h4-10,18,21,23-24,28,31,35H,3,11-17,27H2,1-2H3,(H,29,32)(H,33,34)/t18-,21-,23+,24-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of bovine Geranylgeranyl transferase type I


J Med Chem 41: 2651-6 (1998)


Article DOI: 10.1021/jm9800907
BindingDB Entry DOI: 10.7270/Q2WW7JCV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406430
PNG
(CHEMBL106683)
Show SMILES NS(=O)(=O)c1ccc(SCCCO)s1
Show InChI InChI=1S/C7H11NO3S3/c8-14(10,11)7-3-2-6(13-7)12-5-1-4-9/h2-3,9H,1,4-5H2,(H2,8,10,11)
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n/an/a 10n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


J Med Chem 34: 3098-105 (1991)


Article DOI: 10.1021/jm00114a020
BindingDB Entry DOI: 10.7270/Q2SJ1MTV
More data for this
Ligand-Target Pair
Geranylgeranyl Transferase (GGTase-I)


(Bos taurus (bovine))
BDBM50031170
PNG
((S)-2-((R)-2-Amino-3-mercapto-propylamino)-3-methy...)
Show SMILES CCC(C)[C@H](NC[C@@H](N)CS)C(=O)NCc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C16H25Cl2N3OS/c1-3-10(2)15(20-8-13(19)9-23)16(22)21-7-11-4-5-12(17)6-14(11)18/h4-6,10,13,15,20,23H,3,7-9,19H2,1-2H3,(H,21,22)/t10?,13-,15+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of bovine Geranylgeranyl transferase type I


J Med Chem 38: 3967-71 (1995)


Article DOI: 10.1021/jm00020a010
BindingDB Entry DOI: 10.7270/Q2XS5TD4
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of purified human erythrocyte carbonic anhydrase II


J Med Chem 36: 2134-41 (1993)


Article DOI: 10.1021/jm00067a012
BindingDB Entry DOI: 10.7270/Q2GX49N1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406333
PNG
(CHEMBL354062)
Show SMILES CC(=O)Oc1ccc2[nH]c(cc2c1)S(N)(=O)=O
Show InChI InChI=1S/C10H10N2O4S/c1-6(13)16-8-2-3-9-7(4-8)5-10(12-9)17(11,14)15/h2-5,12H,1H3,(H2,11,14,15)
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n/an/a 11n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of human carbonic anhydrase II (0.1 nM).


J Med Chem 33: 749-54 (1990)


Article DOI: 10.1021/jm00164a045
BindingDB Entry DOI: 10.7270/Q2K075GW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406342
PNG
(CHEMBL354386)
Show SMILES NS(=O)(=O)c1cc2ccc(O)cc2o1
Show InChI InChI=1S/C8H7NO4S/c9-14(11,12)8-3-5-1-2-6(10)4-7(5)13-8/h1-4,10H,(H2,9,11,12)
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n/an/a 11n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of human carbonic anhydrase II (0.1 nM).


J Med Chem 33: 749-54 (1990)


Article DOI: 10.1021/jm00164a045
BindingDB Entry DOI: 10.7270/Q2K075GW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50044313
PNG
(CHEMBL304131 | Chloro-(octane-1-sulfonyl)-methanes...)
Show SMILES CCCCCCCCS(=O)(=O)C(Cl)S(N)(=O)=O
Show InChI InChI=1S/C9H20ClNO4S2/c1-2-3-4-5-6-7-8-16(12,13)9(10)17(11,14)15/h9H,2-8H2,1H3,(H2,11,14,15)
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n/an/a 12n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of purified human erythrocyte carbonic anhydrase II


J Med Chem 36: 2134-41 (1993)


Article DOI: 10.1021/jm00067a012
BindingDB Entry DOI: 10.7270/Q2GX49N1
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406434
PNG
(CHEMBL104000)
Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)CCCO
Show InChI InChI=1S/C9H13NO5S2/c10-17(14,15)9-4-2-8(3-5-9)16(12,13)7-1-6-11/h2-5,11H,1,6-7H2,(H2,10,14,15)
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PubMed
n/an/a 12n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


J Med Chem 34: 3098-105 (1991)


Article DOI: 10.1021/jm00114a020
BindingDB Entry DOI: 10.7270/Q2SJ1MTV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50044311
PNG
(CHEMBL67511 | TRIFLUOROMETHANE SULFONAMIDE | Trifl...)
Show SMILES NS(=O)(=O)C(F)(F)F
Show InChI InChI=1S/CH2F3NO2S/c2-1(3,4)8(5,6)7/h(H2,5,6,7)
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Article
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n/an/a 13n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of purified human erythrocyte carbonic anhydrase II


J Med Chem 36: 2134-41 (1993)


Article DOI: 10.1021/jm00067a012
BindingDB Entry DOI: 10.7270/Q2GX49N1
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50017727
PNG
((R) 4-Hydroxy-7,7-dioxo-4,5,6,7-tetrahydro-7lambda...)
Show SMILES NS(=O)(=O)c1cc2C(O)CCS(=O)(=O)c2s1
Show InChI InChI=1S/C7H9NO5S3/c8-16(12,13)6-3-4-5(9)1-2-15(10,11)7(4)14-6/h3,5,9H,1-2H2,(H2,8,12,13)
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n/an/a 13n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


J Med Chem 34: 3098-105 (1991)


Article DOI: 10.1021/jm00114a020
BindingDB Entry DOI: 10.7270/Q2SJ1MTV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406458
PNG
(CHEMBL316582)
Show SMILES NS(=O)(=O)c1ccc(CCCCO)cc1
Show InChI InChI=1S/C10H15NO3S/c11-15(13,14)10-6-4-9(5-7-10)3-1-2-8-12/h4-7,12H,1-3,8H2,(H2,11,13,14)
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n/an/a 15n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


J Med Chem 34: 3098-105 (1991)


Article DOI: 10.1021/jm00114a020
BindingDB Entry DOI: 10.7270/Q2SJ1MTV
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406328
PNG
(CHEMBL162168)
Show SMILES COc1ccc2cc(oc2c1)S(N)(=O)=O
Show InChI InChI=1S/C9H9NO4S/c1-13-7-3-2-6-4-9(15(10,11)12)14-8(6)5-7/h2-5H,1H3,(H2,10,11,12)
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n/an/a 15n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of human carbonic anhydrase II (0.1 nM).


J Med Chem 33: 749-54 (1990)


Article DOI: 10.1021/jm00164a045
BindingDB Entry DOI: 10.7270/Q2K075GW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406322
PNG
(CHEMBL165362)
Show SMILES COc1ccc2[nH]c(cc2c1)S(N)(=O)=O
Show InChI InChI=1S/C9H10N2O3S/c1-14-7-2-3-8-6(4-7)5-9(11-8)15(10,12)13/h2-5,11H,1H3,(H2,10,12,13)
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n/an/a 16n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of human carbonic anhydrase II (0.1 nM).


J Med Chem 33: 749-54 (1990)


Article DOI: 10.1021/jm00164a045
BindingDB Entry DOI: 10.7270/Q2K075GW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50406436
PNG
(CHEMBL104630)
Show SMILES CC(C)CNCCCS(=O)(=O)c1ccc(s1)S(N)(=O)=O
Show InChI InChI=1S/C11H20N2O4S3/c1-9(2)8-13-6-3-7-19(14,15)10-4-5-11(18-10)20(12,16)17/h4-5,9,13H,3,6-8H2,1-2H3,(H2,12,16,17)
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n/an/a 18n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II using pH stat assay


J Med Chem 34: 3098-105 (1991)


Article DOI: 10.1021/jm00114a020
BindingDB Entry DOI: 10.7270/Q2SJ1MTV
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50407296
PNG
(CHEMBL2052018 | L-731735)
Show SMILES CC[C@H](C)[C@@H](CN[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCO)C(O)=O)NC[C@@H](N)CS
Show InChI InChI=1S/C19H40N4O4S/c1-5-12(3)16(21-9-14(20)11-28)10-22-17(13(4)6-2)18(25)23-15(7-8-24)19(26)27/h12-17,21-22,24,28H,5-11,20H2,1-4H3,(H,23,25)(H,26,27)/t12-,13-,14+,15-,16+,17-/m0/s1
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PubMed
n/an/a 20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]FPP incorporation into recombinant human Ha-Ras by Farnesyltransferase


J Med Chem 41: 2651-6 (1998)


Article DOI: 10.1021/jm9800907
BindingDB Entry DOI: 10.7270/Q2WW7JCV
More data for this
Ligand-Target Pair
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