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Compile Data Set for Download or QSAR

Found 80 hits with Last Name = 'hoover' and Initial = 'dj'   
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
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM39807
PNG
(CP-526,423)
Show SMILES Cc1ccc2[nH]c(cc2c1)C(=O)NCCOCCOCCNC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C25H27ClN4O4/c1-16-2-4-20-17(12-16)14-22(29-20)24(31)27-6-8-33-10-11-34-9-7-28-25(32)23-15-18-13-19(26)3-5-21(18)30-23/h2-5,12-15,29-30H,6-11H2,1H3,(H,27,31)(H,28,32)
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n/an/a 6n/an/an/an/a7.222



Pfizer Inc



Assay Description
Human liver glycogen phsphorylase (HLGP) activity was measured in the direction of glycogen synthesis by the release of phosphate from glucose-1-phos...

Chem Biol 7: 677-82 (2000)


Article DOI: 10.1016/S1074-5521(00)00004-1
BindingDB Entry DOI: 10.7270/Q2H41PT2
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM50136446
PNG
(1-{(S)-2-[(5-Chloro-1H-indole-2-carbonyl)-amino]-3...)
Show SMILES OC(=O)C1CN(C1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C22H20ClN3O4/c23-16-6-7-17-14(9-16)10-18(24-17)20(27)25-19(8-13-4-2-1-3-5-13)21(28)26-11-15(12-26)22(29)30/h1-7,9-10,15,19,24H,8,11-12H2,(H,25,27)(H,29,30)/t19-/m0/s1
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n/an/a 45n/an/an/an/a7.222



Pfizer Inc



Assay Description
Human liver glycogen phsphorylase (HLGP) activity was measured in the direction of glycogen synthesis by the release of phosphate from glucose-1-phos...

Chem Biol 7: 677-82 (2000)


Article DOI: 10.1016/S1074-5521(00)00004-1
BindingDB Entry DOI: 10.7270/Q2H41PT2
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Lanosterol 14-alpha demethylase


(Homo sapiens (Human))		BDBM31773
PNG
(ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...)
Show SMILES Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2
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n/an/a 50n/an/an/an/an/an/a



ACT LLC

Curated by ChEMBL


Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay

Drug Metab Dispos 35: 493-500 (2007)


Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cathepsin B


(Homo sapiens (Human))		BDBM16503
PNG
(CA inhibitor 6 | CA074Me | PrNH-tES-Ile-Pro-OMe | ...)
Show SMILES [H][C@@]1(O[C@]1([H])C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)OC)C(=O)NCCC |r|
Show InChI InChI=1S/C19H31N3O6/c1-5-9-20-16(23)14-15(28-14)17(24)21-13(11(3)6-2)18(25)22-10-7-8-12(22)19(26)27-4/h11-15H,5-10H2,1-4H3,(H,20,23)(H,21,24)/t11-,12-,13-,14-,15-/m0/s1
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n/an/a 80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cathepsin-B using Z-Arg-Arg AMC as substrate by fluorescence assay

ACS Med Chem Lett 3: 920-924 (2012)


Article DOI: 10.1021/ml300197h
BindingDB Entry DOI: 10.7270/Q21Z45KS
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM50065954
PNG
((S)-5-chloro-N-(1-(dimethylamino)-1-oxo-3-phenylpr...)
Show SMILES CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C20H20ClN3O2/c1-24(2)20(26)18(10-13-6-4-3-5-7-13)23-19(25)17-12-14-11-15(21)8-9-16(14)22-17/h3-9,11-12,18,22H,10H2,1-2H3,(H,23,25)/t18-/m0/s1
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n/an/a 82n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against recombinant human liver glycogen phosphorylase a (rHLGPa) catalyzed release of phosphate from glucose-1-phosphat...

J Med Chem 41: 2934-8 (1998)


Article DOI: 10.1021/jm980264k
BindingDB Entry DOI: 10.7270/Q2NS0T1T
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM50065955
PNG
(5-Bromo-1H-indole-2-carboxylic acid ((1S,2R)-1-ben...)
Show SMILES CN(C)C(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Br)ccc2[nH]1
Show InChI InChI=1S/C21H22BrN3O3/c1-25(2)21(28)19(26)17(10-13-6-4-3-5-7-13)24-20(27)18-12-14-11-15(22)8-9-16(14)23-18/h3-9,11-12,17,19,23,26H,10H2,1-2H3,(H,24,27)/t17-,19+/m0/s1
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n/an/a 97n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against recombinant human liver glycogen phosphorylase a (rHLGPa) catalyzed release of phosphate from glucose-1-phosphat...

J Med Chem 41: 2934-8 (1998)


Article DOI: 10.1021/jm980264k
BindingDB Entry DOI: 10.7270/Q2NS0T1T
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM50065965
PNG
(5-Chloro-1H-indole-2-carboxylic acid ((1S,2R)-1-be...)
Show SMILES CN(C)C(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C21H22ClN3O3/c1-25(2)21(28)19(26)17(10-13-6-4-3-5-7-13)24-20(27)18-12-14-11-15(22)8-9-16(14)23-18/h3-9,11-12,17,19,23,26H,10H2,1-2H3,(H,24,27)/t17-,19+/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against recombinant human liver glycogen phosphorylase a (rHLGPa) catalyzed release of phosphate from glucose-1-phosphat...

J Med Chem 41: 2934-8 (1998)


Article DOI: 10.1021/jm980264k
BindingDB Entry DOI: 10.7270/Q2NS0T1T
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM50065951
PNG
(5-Chloro-1H-indole-2-carboxylic acid ((S)-1-methyl...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C19H18ClN3O2/c1-21-18(24)16(9-12-5-3-2-4-6-12)23-19(25)17-11-13-10-14(20)7-8-15(13)22-17/h2-8,10-11,16,22H,9H2,1H3,(H,21,24)(H,23,25)/t16-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against recombinant human liver glycogen phosphorylase a (rHLGPa) catalyzed release of phosphate from glucose-1-phosphat...

J Med Chem 41: 2934-8 (1998)


Article DOI: 10.1021/jm980264k
BindingDB Entry DOI: 10.7270/Q2NS0T1T
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM50065944
PNG
(5-Bromo-1H-indole-2-carboxylic acid ((S)-1-dimethy...)
Show SMILES CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Br)ccc2[nH]1
Show InChI InChI=1S/C20H20BrN3O2/c1-24(2)20(26)18(10-13-6-4-3-5-7-13)23-19(25)17-12-14-11-15(21)8-9-16(14)22-17/h3-9,11-12,18,22H,10H2,1-2H3,(H,23,25)/t18-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against recombinant human liver glycogen phosphorylase a (rHLGPa) catalyzed release of phosphate from glucose-1-phosphat...

J Med Chem 41: 2934-8 (1998)


Article DOI: 10.1021/jm980264k
BindingDB Entry DOI: 10.7270/Q2NS0T1T
More data for this
Ligand-Target Pair
Lanosterol 14-alpha demethylase


(Homo sapiens (Human))		BDBM31774
PNG
(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Show SMILES Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1
Show InChI InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H
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n/an/a 130n/an/an/an/an/an/a



ACT LLC

Curated by ChEMBL


Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay

Drug Metab Dispos 35: 493-500 (2007)


Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM50065943
PNG
((S)-2-[(5-Chloro-1H-indole-2-carbonyl)-amino]-3-ph...)
Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C19H17ClN2O3/c1-25-19(24)17(9-12-5-3-2-4-6-12)22-18(23)16-11-13-10-14(20)7-8-15(13)21-16/h2-8,10-11,17,21H,9H2,1H3,(H,22,23)/t17-/m0/s1
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n/an/a 140n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against recombinant human liver glycogen phosphorylase a (rHLGPa) catalyzed release of phosphate from glucose-1-phosphat...

J Med Chem 41: 2934-8 (1998)


Article DOI: 10.1021/jm980264k
BindingDB Entry DOI: 10.7270/Q2NS0T1T
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM50065962
PNG
(5-Fluoro-1H-indole-2-carboxylic acid ((1S,2R)-1-be...)
Show SMILES CN(C)C(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(F)ccc2[nH]1
Show InChI InChI=1S/C21H22FN3O3/c1-25(2)21(28)19(26)17(10-13-6-4-3-5-7-13)24-20(27)18-12-14-11-15(22)8-9-16(14)23-18/h3-9,11-12,17,19,23,26H,10H2,1-2H3,(H,24,27)/t17-,19+/m0/s1
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n/an/a 170n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against recombinant human liver glycogen phosphorylase a (rHLGPa) catalyzed release of phosphate from glucose-1-phosphat...

J Med Chem 41: 2934-8 (1998)


Article DOI: 10.1021/jm980264k
BindingDB Entry DOI: 10.7270/Q2NS0T1T
More data for this
Ligand-Target Pair
Lanosterol 14-alpha demethylase


(Homo sapiens (Human))		BDBM31768
PNG
(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1
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n/an/a 190n/an/an/an/an/an/a



ACT LLC

Curated by ChEMBL


Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay

Drug Metab Dispos 35: 493-500 (2007)


Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H
More data for this
Ligand-Target Pair
Lanosterol 14-alpha demethylase


(Homo sapiens (Human))		BDBM31772
PNG
(1-[2-(2,4-dichlorobenzyl)oxy-2-(2,4-dichlorophenyl...)
Show SMILES Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1
Show InChI InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2
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n/an/a 200n/an/an/an/an/an/a



ACT LLC

Curated by ChEMBL


Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay

Drug Metab Dispos 35: 493-500 (2007)


Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM35346
PNG
((S)-5-chloro-N-(3-(4-fluorophenyl)-1-(4-hydroxypip...)
Show SMILES OC1CCN(CC1)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1 |r|
Show InChI InChI=1S/C23H23ClFN3O3/c24-16-3-6-19-15(12-16)13-20(26-19)22(30)27-21(11-14-1-4-17(25)5-2-14)23(31)28-9-7-18(29)8-10-28/h1-6,12-13,18,21,26,29H,7-11H2,(H,27,30)/t21-/m0/s1
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n/an/a 205n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against recombinant human liver glycogen phosphorylase a (rHLGPa) catalyzed release of phosphate from glucose-1-phosphat...

J Med Chem 41: 2934-8 (1998)


Article DOI: 10.1021/jm980264k
BindingDB Entry DOI: 10.7270/Q2NS0T1T
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM50065948
PNG
((2R,3S)-3-[(5-Chloro-1H-indole-2-carbonyl)-amino]-...)
Show SMILES COC(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C20H19ClN2O4/c1-27-20(26)18(24)16(9-12-5-3-2-4-6-12)23-19(25)17-11-13-10-14(21)7-8-15(13)22-17/h2-8,10-11,16,18,22,24H,9H2,1H3,(H,23,25)/t16-,18+/m0/s1
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n/an/a 210n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against recombinant human liver glycogen phosphorylase a (rHLGPa) catalyzed release of phosphate from glucose-1-phosphat...

J Med Chem 41: 2934-8 (1998)


Article DOI: 10.1021/jm980264k
BindingDB Entry DOI: 10.7270/Q2NS0T1T
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM50065949
PNG
(5-Chloro-1H-indole-2-carboxylic acid ((R)-1-methyl...)
Show SMILES CNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C19H18ClN3O2/c1-21-18(24)16(9-12-5-3-2-4-6-12)23-19(25)17-11-13-10-14(20)7-8-15(13)22-17/h2-8,10-11,16,22H,9H2,1H3,(H,21,24)(H,23,25)/t16-/m1/s1
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n/an/a 220n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against recombinant human liver glycogen phosphorylase a (rHLGPa) catalyzed release of phosphate from glucose-1-phosphat...

J Med Chem 41: 2934-8 (1998)


Article DOI: 10.1021/jm980264k
BindingDB Entry DOI: 10.7270/Q2NS0T1T
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM50065953
PNG
((S)-5-chloro-N-(1-(4-hydroxypiperidin-1-yl)-1-oxo-...)
Show SMILES OC1CCN(CC1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C23H24ClN3O3/c24-17-6-7-19-16(13-17)14-20(25-19)22(29)26-21(12-15-4-2-1-3-5-15)23(30)27-10-8-18(28)9-11-27/h1-7,13-14,18,21,25,28H,8-12H2,(H,26,29)/t21-/m0/s1
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n/an/a 260n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against recombinant human liver glycogen phosphorylase a (rHLGPa) catalyzed release of phosphate from glucose-1-phosphat...

J Med Chem 41: 2934-8 (1998)


Article DOI: 10.1021/jm980264k
BindingDB Entry DOI: 10.7270/Q2NS0T1T
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM50065945
PNG
(5-Chloro-1H-indole-2-carboxylic acid ((R)-1-dimeth...)
Show SMILES CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C20H20ClN3O2/c1-24(2)20(26)18(10-13-6-4-3-5-7-13)23-19(25)17-12-14-11-15(21)8-9-16(14)22-17/h3-9,11-12,18,22H,10H2,1-2H3,(H,23,25)/t18-/m1/s1
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n/an/a 260n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against recombinant human liver glycogen phosphorylase a (rHLGPa) catalyzed release of phosphate from glucose-1-phosphat...

J Med Chem 41: 2934-8 (1998)


Article DOI: 10.1021/jm980264k
BindingDB Entry DOI: 10.7270/Q2NS0T1T
More data for this
Ligand-Target Pair
Lanosterol 14-alpha demethylase


(Homo sapiens (Human))		BDBM50375304
PNG
(ANALOGUE A)
Show SMILES OC1CCN(CC1)C(=O)[C@H](Cc1ccccc1Cl)NC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C23H23Cl2N3O3/c24-16-5-6-19-15(11-16)13-20(26-19)22(30)27-21(12-14-3-1-2-4-18(14)25)23(31)28-9-7-17(29)8-10-28/h1-6,11,13,17,21,26,29H,7-10,12H2,(H,27,30)/t21-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



ACT LLC

Curated by ChEMBL


Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay

Drug Metab Dispos 35: 493-500 (2007)


Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM50065961
PNG
((2R,3S)-3-[(5-Chloro-1H-indole-2-carbonyl)-amino]-...)
Show SMILES O[C@H]([C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1)C(O)=O
Show InChI InChI=1S/C19H17ClN2O4/c20-13-6-7-14-12(9-13)10-16(21-14)18(24)22-15(17(23)19(25)26)8-11-4-2-1-3-5-11/h1-7,9-10,15,17,21,23H,8H2,(H,22,24)(H,25,26)/t15-,17+/m0/s1
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n/an/a 330n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against recombinant human liver glycogen phosphorylase a (rHLGPa) catalyzed release of phosphate from glucose-1-phosphat...

J Med Chem 41: 2934-8 (1998)


Article DOI: 10.1021/jm980264k
BindingDB Entry DOI: 10.7270/Q2NS0T1T
More data for this
Ligand-Target Pair
Lanosterol 14-alpha demethylase


(Homo sapiens (Human))		BDBM50128548
PNG
(1-(1-Biphenyl-4-yl-2-phenyl-methyl)-1H-imidazole |...)
Show SMILES c1cn(cn1)C(c1ccccc1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H18N2/c1-3-7-18(8-4-1)19-11-13-21(14-12-19)22(24-16-15-23-17-24)20-9-5-2-6-10-20/h1-17,22H
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n/an/a 342n/an/an/an/an/an/a



ACT LLC

Curated by ChEMBL


Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay

Drug Metab Dispos 35: 493-500 (2007)


Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM50065968
PNG
(1H-Indole-2-carboxylic acid ((S)-1-dimethylcarbamo...)
Show SMILES CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C20H21N3O2/c1-23(2)20(25)18(12-14-8-4-3-5-9-14)22-19(24)17-13-15-10-6-7-11-16(15)21-17/h3-11,13,18,21H,12H2,1-2H3,(H,22,24)/t18-/m0/s1
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n/an/a 400n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against recombinant human liver glycogen phosphorylase a (rHLGPa) catalyzed release of phosphate from glucose-1-phosphat...

J Med Chem 41: 2934-8 (1998)


Article DOI: 10.1021/jm980264k
BindingDB Entry DOI: 10.7270/Q2NS0T1T
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM50065967
PNG
(5-Fluoro-1H-indole-2-carboxylic acid ((S)-1-dimeth...)
Show SMILES CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(F)ccc2[nH]1
Show InChI InChI=1S/C20H20FN3O2/c1-24(2)20(26)18(10-13-6-4-3-5-7-13)23-19(25)17-12-14-11-15(21)8-9-16(14)22-17/h3-9,11-12,18,22H,10H2,1-2H3,(H,23,25)/t18-/m0/s1
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n/an/a 430n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against recombinant human liver glycogen phosphorylase a (rHLGPa) catalyzed release of phosphate from glucose-1-phosphat...

J Med Chem 41: 2934-8 (1998)


Article DOI: 10.1021/jm980264k
BindingDB Entry DOI: 10.7270/Q2NS0T1T
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM50065952
PNG
(1H-Indole-2-carboxylic acid ((1S,2R)-1-benzyl-2-di...)
Show SMILES CN(C)C(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C21H23N3O3/c1-24(2)21(27)19(25)17(12-14-8-4-3-5-9-14)23-20(26)18-13-15-10-6-7-11-16(15)22-18/h3-11,13,17,19,22,25H,12H2,1-2H3,(H,23,26)/t17-,19+/m0/s1
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n/an/a 440n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against recombinant human liver glycogen phosphorylase a (rHLGPa) catalyzed release of phosphate from glucose-1-phosphat...

J Med Chem 41: 2934-8 (1998)


Article DOI: 10.1021/jm980264k
BindingDB Entry DOI: 10.7270/Q2NS0T1T
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM50065950
PNG
(5-Chloro-1H-indole-2-carboxylic acid ((1S,2R)-1-be...)
Show SMILES CNC(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C20H20ClN3O3/c1-22-20(27)18(25)16(9-12-5-3-2-4-6-12)24-19(26)17-11-13-10-14(21)7-8-15(13)23-17/h2-8,10-11,16,18,23,25H,9H2,1H3,(H,22,27)(H,24,26)/t16-,18+/m0/s1
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n/an/a 680n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against recombinant human liver glycogen phosphorylase a (rHLGPa) catalyzed release of phosphate from glucose-1-phosphat...

J Med Chem 41: 2934-8 (1998)


Article DOI: 10.1021/jm980264k
BindingDB Entry DOI: 10.7270/Q2NS0T1T
More data for this
Ligand-Target Pair
Lanosterol 14-alpha demethylase


(Homo sapiens (Human))		BDBM50375303
PNG
(CHEMBL259552)
Show SMILES OC1CCN(CC1)C(=O)[C@H](Cc1ccccc1F)NC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C23H23ClFN3O3/c24-16-5-6-19-15(11-16)13-20(26-19)22(30)27-21(12-14-3-1-2-4-18(14)25)23(31)28-9-7-17(29)8-10-28/h1-6,11,13,17,21,26,29H,7-10,12H2,(H,27,30)/t21-/m0/s1
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n/an/a 800n/an/an/an/an/an/a



ACT LLC

Curated by ChEMBL


Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay

Drug Metab Dispos 35: 493-500 (2007)


Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H
More data for this
Ligand-Target Pair
Lanosterol 14-alpha demethylase


(Homo sapiens (Human))		BDBM50375302
PNG
(CHEMBL409630)
Show SMILES OC1CCN(CC1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C23H25N3O3/c27-18-10-12-26(13-11-18)23(29)21(14-16-6-2-1-3-7-16)25-22(28)20-15-17-8-4-5-9-19(17)24-20/h1-9,15,18,21,24,27H,10-14H2,(H,25,28)/t21-/m0/s1
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n/an/a 910n/an/an/an/an/an/a



ACT LLC

Curated by ChEMBL


Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay

Drug Metab Dispos 35: 493-500 (2007)


Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H
More data for this
Ligand-Target Pair
Lanosterol 14-alpha demethylase


(Homo sapiens (Human))		BDBM50375317
PNG
(CHEMBL258892)
Show SMILES OC1CCN(CC1)C(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C20H22ClN5O3/c21-13-1-2-16-12(7-13)8-17(24-16)19(28)25-18(9-14-10-22-11-23-14)20(29)26-5-3-15(27)4-6-26/h1-2,7-8,10-11,15,18,24,27H,3-6,9H2,(H,22,23)(H,25,28)/t18-/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



ACT LLC

Curated by ChEMBL


Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay

Drug Metab Dispos 35: 493-500 (2007)


Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM50065966
PNG
((S)-2-[(5-Chloro-1H-indole-2-carbonyl)-amino]-3-ph...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C18H15ClN2O3/c19-13-6-7-14-12(9-13)10-15(20-14)17(22)21-16(18(23)24)8-11-4-2-1-3-5-11/h1-7,9-10,16,20H,8H2,(H,21,22)(H,23,24)/t16-/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against recombinant human liver glycogen phosphorylase a (rHLGPa) catalyzed release of phosphate from glucose-1-phosphat...

J Med Chem 41: 2934-8 (1998)


Article DOI: 10.1021/jm980264k
BindingDB Entry DOI: 10.7270/Q2NS0T1T
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM50065964
PNG
(5-Chloro-1H-indole-2-carboxylic acid ((1R,2R)-1-be...)
Show SMILES CN(C)C(=O)[C@H](O)[C@@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C21H22ClN3O3/c1-25(2)21(28)19(26)17(10-13-6-4-3-5-7-13)24-20(27)18-12-14-11-15(22)8-9-16(14)23-18/h3-9,11-12,17,19,23,26H,10H2,1-2H3,(H,24,27)/t17-,19-/m1/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against recombinant human liver glycogen phosphorylase a (rHLGPa) catalyzed release of phosphate from glucose-1-phosphat...

J Med Chem 41: 2934-8 (1998)


Article DOI: 10.1021/jm980264k
BindingDB Entry DOI: 10.7270/Q2NS0T1T
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM50065957
PNG
(5-Chloro-1H-indole-2-carboxylic acid ((1S,2R)-1-be...)
Show SMILES NC(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C19H18ClN3O3/c20-13-6-7-14-12(9-13)10-16(22-14)19(26)23-15(17(24)18(21)25)8-11-4-2-1-3-5-11/h1-7,9-10,15,17,22,24H,8H2,(H2,21,25)(H,23,26)/t15-,17+/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against recombinant human liver glycogen phosphorylase a (rHLGPa) catalyzed release of phosphate from glucose-1-phosphat...

J Med Chem 41: 2934-8 (1998)


Article DOI: 10.1021/jm980264k
BindingDB Entry DOI: 10.7270/Q2NS0T1T
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM50065960
PNG
(5-Chloro-1H-indole-2-carboxylic acid ((1R,2S)-1-be...)
Show SMILES CN(C)C(=O)[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C21H22ClN3O3/c1-25(2)21(28)19(26)17(10-13-6-4-3-5-7-13)24-20(27)18-12-14-11-15(22)8-9-16(14)23-18/h3-9,11-12,17,19,23,26H,10H2,1-2H3,(H,24,27)/t17-,19+/m1/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against recombinant human liver glycogen phosphorylase a (rHLGPa) catalyzed release of phosphate from glucose-1-phosphat...

J Med Chem 41: 2934-8 (1998)


Article DOI: 10.1021/jm980264k
BindingDB Entry DOI: 10.7270/Q2NS0T1T
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50400262
PNG
(CHEMBL2179952)
Show SMILES O[C@H](CN(Cc1ccccc1)C(=O)[CH-][N+]#N)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C27H28N4O4/c28-29-17-26(33)31(18-22-12-6-2-7-13-22)19-25(32)24(16-21-10-4-1-5-11-21)30-27(34)35-20-23-14-8-3-9-15-23/h1-15,17,24-25,32H,16,18-20H2,(H,30,34)/t24-,25+/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cathepsin-B using Z-Arg-Arg AMC as substrate by fluorescence assay

ACS Med Chem Lett 3: 920-924 (2012)


Article DOI: 10.1021/ml300197h
BindingDB Entry DOI: 10.7270/Q21Z45KS
More data for this
Ligand-Target Pair
Lanosterol 14-alpha demethylase


(Homo sapiens (Human))		BDBM50375316
PNG
(CHEMBL259288)
Show SMILES OC1CCN(CC1)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C23H24ClN3O4/c24-16-3-6-19-15(12-16)13-20(25-19)22(30)26-21(11-14-1-4-17(28)5-2-14)23(31)27-9-7-18(29)8-10-27/h1-6,12-13,18,21,25,28-29H,7-11H2,(H,26,30)/t21-/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



ACT LLC

Curated by ChEMBL


Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay

Drug Metab Dispos 35: 493-500 (2007)


Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H
More data for this
Ligand-Target Pair
Lanosterol 14-alpha demethylase


(Homo sapiens (Human))		BDBM50375318
PNG
(Fungistat | Gyno-Terazol | Panlomyc | R-42470 | TE...)
Show SMILES CC(C)N1CCN(CC1)c1ccc(OC[C@H]2CO[C@@](Cn3cncn3)(O2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C26H31Cl2N5O3/c1-19(2)31-9-11-32(12-10-31)21-4-6-22(7-5-21)34-14-23-15-35-26(36-23,16-33-18-29-17-30-33)24-8-3-20(27)13-25(24)28/h3-8,13,17-19,23H,9-12,14-16H2,1-2H3/t23-,26-/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



ACT LLC

Curated by ChEMBL


Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay

Drug Metab Dispos 35: 493-500 (2007)


Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H
More data for this
Ligand-Target Pair
Lanosterol 14-alpha demethylase


(Homo sapiens (Human))		BDBM50065953
PNG
((S)-5-chloro-N-(1-(4-hydroxypiperidin-1-yl)-1-oxo-...)
Show SMILES OC1CCN(CC1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C23H24ClN3O3/c24-17-6-7-19-16(13-17)14-20(25-19)22(29)26-21(12-15-4-2-1-3-5-15)23(30)27-10-8-18(28)9-11-27/h1-7,13-14,18,21,25,28H,8-12H2,(H,26,29)/t21-/m0/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



ACT LLC

Curated by ChEMBL


Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay

Drug Metab Dispos 35: 493-500 (2007)


Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H
More data for this
Ligand-Target Pair
Lanosterol 14-alpha demethylase


(Homo sapiens (Human))		BDBM50127138
PNG
(2-(butan-2-yl)-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlor...)
Show SMILES CCC(C)n1ncn(-c2ccc(cc2)N2CCN(CC2)c2ccc(OC[C@H]3CO[C@@](Cn4cncn4)(O3)c3ccc(Cl)cc3Cl)cc2)c1=O |r|
Show InChI InChI=1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3/t25?,31-,35-/m0/s1
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n/an/a 3.60E+3n/an/an/an/an/an/a



ACT LLC

Curated by ChEMBL


Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay

Drug Metab Dispos 35: 493-500 (2007)


Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H
More data for this
Ligand-Target Pair
Lanosterol 14-alpha demethylase


(Homo sapiens (Human))		BDBM35346
PNG
((S)-5-chloro-N-(3-(4-fluorophenyl)-1-(4-hydroxypip...)
Show SMILES OC1CCN(CC1)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1 |r|
Show InChI InChI=1S/C23H23ClFN3O3/c24-16-3-6-19-15(12-16)13-20(26-19)22(30)27-21(11-14-1-4-17(25)5-2-14)23(31)28-9-7-18(29)8-10-28/h1-6,12-13,18,21,26,29H,7-11H2,(H,27,30)/t21-/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



ACT LLC

Curated by ChEMBL


Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay

Drug Metab Dispos 35: 493-500 (2007)


Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H
More data for this
Ligand-Target Pair
Lanosterol 14-alpha demethylase


(Homo sapiens (Human))		BDBM50375315
PNG
(CHEMBL265700)
Show SMILES COc1ccc(C[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)C(=O)N2CCC(O)CC2)cc1
Show InChI InChI=1S/C24H26ClN3O4/c1-32-19-5-2-15(3-6-19)12-22(24(31)28-10-8-18(29)9-11-28)27-23(30)21-14-16-13-17(25)4-7-20(16)26-21/h2-7,13-14,18,22,26,29H,8-12H2,1H3,(H,27,30)/t22-/m0/s1
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n/an/a 4.50E+3n/an/an/an/an/an/a



ACT LLC

Curated by ChEMBL


Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay

Drug Metab Dispos 35: 493-500 (2007)


Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM50065956
PNG
(5-Methoxy-1H-indole-2-carboxylic acid ((S)-1-dimet...)
Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)C
Show InChI InChI=1S/C21H23N3O3/c1-24(2)21(26)19(11-14-7-5-4-6-8-14)23-20(25)18-13-15-12-16(27-3)9-10-17(15)22-18/h4-10,12-13,19,22H,11H2,1-3H3,(H,23,25)/t19-/m0/s1
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n/an/a 4.70E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against recombinant human liver glycogen phosphorylase a (rHLGPa) catalyzed release of phosphate from glucose-1-phosphat...

J Med Chem 41: 2934-8 (1998)


Article DOI: 10.1021/jm980264k
BindingDB Entry DOI: 10.7270/Q2NS0T1T
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM50065963
PNG
(5-Chloro-1H-indole-2-carboxylic acid ((1S,2R)-1-cy...)
Show SMILES CN(C)C(=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C21H28ClN3O3/c1-25(2)21(28)19(26)17(10-13-6-4-3-5-7-13)24-20(27)18-12-14-11-15(22)8-9-16(14)23-18/h8-9,11-13,17,19,23,26H,3-7,10H2,1-2H3,(H,24,27)/t17-,19+/m0/s1
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n/an/a 6.50E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against recombinant human liver glycogen phosphorylase a (rHLGPa) catalyzed release of phosphate from glucose-1-phosphat...

J Med Chem 41: 2934-8 (1998)


Article DOI: 10.1021/jm980264k
BindingDB Entry DOI: 10.7270/Q2NS0T1T
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM50065946
PNG
(5-Chloro-1H-indole-2-carboxylic acid ((1S,2R)-1-be...)
Show SMILES OC[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C19H19ClN2O3/c20-14-6-7-15-13(9-14)10-17(21-15)19(25)22-16(18(24)11-23)8-12-4-2-1-3-5-12/h1-7,9-10,16,18,21,23-24H,8,11H2,(H,22,25)/t16-,18-/m0/s1
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n/an/a 6.80E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against recombinant human liver glycogen phosphorylase a (rHLGPa) catalyzed release of phosphate from glucose-1-phosphat...

J Med Chem 41: 2934-8 (1998)


Article DOI: 10.1021/jm980264k
BindingDB Entry DOI: 10.7270/Q2NS0T1T
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM50065958
PNG
(5-Chloro-1H-indole-2-carboxylic acid ((1S,2S)-1-be...)
Show SMILES CN(C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C21H22ClN3O3/c1-25(2)21(28)19(26)17(10-13-6-4-3-5-7-13)24-20(27)18-12-14-11-15(22)8-9-16(14)23-18/h3-9,11-12,17,19,23,26H,10H2,1-2H3,(H,24,27)/t17-,19-/m0/s1
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n/an/a 8.70E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against recombinant human liver glycogen phosphorylase a (rHLGPa) catalyzed release of phosphate from glucose-1-phosphat...

J Med Chem 41: 2934-8 (1998)


Article DOI: 10.1021/jm980264k
BindingDB Entry DOI: 10.7270/Q2NS0T1T
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))		BDBM50400264
PNG
(CHEMBL2179950)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)[CH-][N+]#N |r|
Show InChI InChI=1S/C21H22N4O4/c1-15(19(26)13-23-22)24-20(27)18(12-16-8-4-2-5-9-16)25-21(28)29-14-17-10-6-3-7-11-17/h2-11,13,15,18H,12,14H2,1H3,(H,24,27)(H,25,28)/t15-,18-/m0/s1
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n/an/a 9.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cathepsin-B using Z-Arg-Arg AMC as substrate by fluorescence assay

ACS Med Chem Lett 3: 920-924 (2012)


Article DOI: 10.1021/ml300197h
BindingDB Entry DOI: 10.7270/Q21Z45KS
More data for this
Ligand-Target Pair
Lanosterol 14-alpha demethylase


(Homo sapiens (Human))		BDBM50375314
PNG
(CHEMBL410331)
Show SMILES OC1CCN(CC1)C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C23H23Cl2N3O3/c24-16-3-1-14(2-4-16)11-21(23(31)28-9-7-18(29)8-10-28)27-22(30)20-13-15-12-17(25)5-6-19(15)26-20/h1-6,12-13,18,21,26,29H,7-11H2,(H,27,30)/t21-/m0/s1
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n/an/a 9.70E+3n/an/an/an/an/an/a



ACT LLC

Curated by ChEMBL


Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay

Drug Metab Dispos 35: 493-500 (2007)


Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H
More data for this
Ligand-Target Pair
Lanosterol 14-alpha demethylase


(Homo sapiens (Human))		BDBM50375306
PNG
(TRIARIMOL)
Show SMILES OC(c1ccccc1)(c1cncnc1)c1ccc(Cl)cc1Cl |w:1.0|
Show InChI InChI=1S/C17H12Cl2N2O/c18-14-6-7-15(16(19)8-14)17(22,12-4-2-1-3-5-12)13-9-20-11-21-10-13/h1-11,22H
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n/an/a>1.00E+4n/an/an/an/an/an/a



ACT LLC

Curated by ChEMBL


Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay

Drug Metab Dispos 35: 493-500 (2007)


Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM50065959
PNG
(5-Chloro-1H-indole-2-carboxylic acid ((S)-1-hydrox...)
Show SMILES OC[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C18H17ClN2O2/c19-14-6-7-16-13(9-14)10-17(21-16)18(23)20-15(11-22)8-12-4-2-1-3-5-12/h1-7,9-10,15,21-22H,8,11H2,(H,20,23)/t15-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against recombinant human liver glycogen phosphorylase a (rHLGPa) catalyzed release of phosphate from glucose-1-phosphat...

J Med Chem 41: 2934-8 (1998)


Article DOI: 10.1021/jm980264k
BindingDB Entry DOI: 10.7270/Q2NS0T1T
More data for this
Ligand-Target Pair
Lanosterol 14-alpha demethylase


(Homo sapiens (Human))		BDBM50375305
PNG
(AZACONAZOLE)
Show SMILES Clc1ccc(c(Cl)c1)C1(Cn2cncn2)OCCO1
Show InChI InChI=1S/C12H11Cl2N3O2/c13-9-1-2-10(11(14)5-9)12(18-3-4-19-12)6-17-8-15-7-16-17/h1-2,5,7-8H,3-4,6H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



ACT LLC

Curated by ChEMBL


Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay

Drug Metab Dispos 35: 493-500 (2007)


Article DOI: 10.1124/dmd.106.013888
BindingDB Entry DOI: 10.7270/Q2DF6S2H
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))		BDBM50149237
PNG
(5-Chloro-1H-indole-2-carboxylic acid (2-methoxy-et...)
Show SMILES COCCNC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C12H13ClN2O2/c1-17-5-4-14-12(16)11-7-8-6-9(13)2-3-10(8)15-11/h2-3,6-7,15H,4-5H2,1H3,(H,14,16)
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n/an/a 1.25E+4n/an/an/an/a7.222



Pfizer Inc



Assay Description
Human liver glycogen phsphorylase (HLGP) activity was measured in the direction of glycogen synthesis by the release of phosphate from glucose-1-phos...

Chem Biol 7: 677-82 (2000)


Article DOI: 10.1016/S1074-5521(00)00004-1
BindingDB Entry DOI: 10.7270/Q2H41PT2
More data for this
Ligand-Target Pair
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