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Compile Data Set for Download or QSAR

Found 108 hits with Last Name = 'zalkow' and Initial = 'lh'   
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
Neutrophil elastase


(Homo sapiens (Human))		BDBM50005897
PNG
(CHEMBL40840 | Carbonic acid 8-butoxycarbonyloxy-3-...)
Show SMILES CCCCOC(=O)Oc1cc(C)cc2C(=O)c3cc(OCCC)cc(OC(=O)OCCCC)c3C(=O)c12
Show InChI InChI=1S/C28H32O9/c1-5-8-11-34-27(31)36-21-14-17(4)13-19-23(21)26(30)24-20(25(19)29)15-18(33-10-7-3)16-22(24)37-28(32)35-12-9-6-2/h13-16H,5-12H2,1-4H3
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 150n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
HLE-inhibitor (Human Leukocyte Elastase) dissociation constant determined by using Dixon Plot

J Med Chem 35: 1597-605 (1992)


BindingDB Entry DOI: 10.7270/Q2QN67D7
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50005903
PNG
(CHEMBL44123 | Carbonic acid 8-butoxycarbonyloxy-7-...)
Show SMILES CCCCCCc1ccc2C(=O)c3cccc(OC(=O)OCCCC)c3C(=O)c2c1OC(=O)OCCCC
Show InChI InChI=1S/C30H36O8/c1-4-7-10-11-13-20-16-17-22-25(28(20)38-30(34)36-19-9-6-3)27(32)24-21(26(22)31)14-12-15-23(24)37-29(33)35-18-8-5-2/h12,14-17H,4-11,13,18-19H2,1-3H3
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 430n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Compound was tested for the enzyme inhibitory activity against Human Leukocyte Elastase (HLE)

J Med Chem 35: 1597-605 (1992)


BindingDB Entry DOI: 10.7270/Q2QN67D7
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50005900
PNG
(CHEMBL43983 | Carbonic acid 8-butoxycarbonyloxy-3-...)
Show SMILES CCCCOC(=O)Oc1cccc2C(=O)c3cc(C)cc(OC(=O)OCCCC)c3C(=O)c12
Show InChI InChI=1S/C25H26O8/c1-4-6-11-30-24(28)32-18-10-8-9-16-20(18)23(27)21-17(22(16)26)13-15(3)14-19(21)33-25(29)31-12-7-5-2/h8-10,13-14H,4-7,11-12H2,1-3H3
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 1.90E+3n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
HLE-inhibitor (Human Leukocyte Elastase) dissociation constant determined by using Dixon Plot

J Med Chem 35: 1597-605 (1992)


BindingDB Entry DOI: 10.7270/Q2QN67D7
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50005887
PNG
(CHEMBL440290 | Carbonic acid 8-butoxycarbonyloxy-6...)
Show SMILES CCCCOC(=O)Oc1cc(C)cc2C(=O)c3cc(OC)cc(OC(=O)OCCCC)c3C(=O)c12
Show InChI InChI=1S/C26H28O9/c1-5-7-9-32-25(29)34-19-12-15(3)11-17-21(19)24(28)22-18(23(17)27)13-16(31-4)14-20(22)35-26(30)33-10-8-6-2/h11-14H,5-10H2,1-4H3
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 2.80E+3n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
HLE-inhibitor (Human Leukocyte Elastase) dissociation constant determined by using Dixon Plot

J Med Chem 35: 1597-605 (1992)


BindingDB Entry DOI: 10.7270/Q2QN67D7
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50005889
PNG
(CHEMBL40878 | Carbonic acid 8-butoxycarbonyloxy-9,...)
Show SMILES CCCCOC(=O)Oc1cccc2C(=O)c3cccc(OC(=O)OCCCC)c3C(=O)c12
Show InChI InChI=1S/C24H24O8/c1-3-5-13-29-23(27)31-17-11-7-9-15-19(17)22(26)20-16(21(15)25)10-8-12-18(20)32-24(28)30-14-6-4-2/h7-12H,3-6,13-14H2,1-2H3
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 7.50E+3n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
HLE-inhibitor (Human Leukocyte Elastase) dissociation constant determined by using Dixon Plot

J Med Chem 35: 1597-605 (1992)


BindingDB Entry DOI: 10.7270/Q2QN67D7
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 1


(Homo sapiens (Human))		BDBM50097532
PNG
(CHEMBL354794 | [17-(1,5-Dimethyl-hexyl)-10,13-dime...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OCC(O)=O
Show InChI InChI=1S/C29H50O3/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(32-18-27(30)31)13-15-28(21,4)26(23)14-16-29(24,25)5/h19-26H,6-18H2,1-5H3,(H,30,31)/t20-,21+,22+,23+,24-,25+,26+,28+,29-/m1/s1
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n/an/a 700n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibitory activity tested against cell division cycle 25A (assay using fluorescein diphosphate (FDP) as substrate)

J Med Chem 44: 834-48 (2001)


BindingDB Entry DOI: 10.7270/Q2C82B14
More data for this
Ligand-Target Pair
Carbonyl reductase [NADPH] 1


(Homo sapiens (Human))		BDBM50308752
PNG
(3-(1-tert-butyl-4-amino-1H-pyrazolo[3,4-d]pyrimidi...)
Show SMILES CC(C)(C)N1NC(c2c1ncnc2N)c1cccc(O)c1
Show InChI InChI=1S/C15H19N5O/c1-15(2,3)20-14-11(13(16)17-8-18-14)12(19-20)9-5-4-6-10(21)7-9/h4-8,12,19,21H,1-3H3,(H2,16,17,18)
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n/an/a 759n/an/an/an/an/an/a



Howard University

Curated by ChEMBL


Assay Description
Inhibition of CBR-mediated NADPH-dependent reduction of menadione to menadiol

Bioorg Med Chem 18: 134-41 (2010)


Article DOI: 10.1016/j.bmc.2009.11.011
BindingDB Entry DOI: 10.7270/Q2XG9R7G
More data for this
Ligand-Target Pair
Carbonyl reductase [NADPH] 1


(Homo sapiens (Human))		BDBM50308752
PNG
(3-(1-tert-butyl-4-amino-1H-pyrazolo[3,4-d]pyrimidi...)
Show SMILES CC(C)(C)N1NC(c2c1ncnc2N)c1cccc(O)c1
Show InChI InChI=1S/C15H19N5O/c1-15(2,3)20-14-11(13(16)17-8-18-14)12(19-20)9-5-4-6-10(21)7-9/h4-8,12,19,21H,1-3H3,(H2,16,17,18)
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n/an/a 788n/an/an/an/an/an/a



Howard University

Curated by ChEMBL


Assay Description
Inhibition of CBR-mediated NADPH-dependent reduction of menadione to menadiol

Bioorg Med Chem 18: 134-41 (2010)


Article DOI: 10.1016/j.bmc.2009.11.011
BindingDB Entry DOI: 10.7270/Q2XG9R7G
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 1


(Homo sapiens (Human))		BDBM50097529
PNG
(CHEMBL354215 | [17-(1,5-Dimethyl-hexyl)-10,13-dime...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=S)SCC(O)=O
Show InChI InChI=1S/C30H50O3S2/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(33-28(34)35-18-27(31)32)13-15-29(21,4)26(23)14-16-30(24,25)5/h19-26H,6-18H2,1-5H3,(H,31,32)/t20-,21+,22+,23+,24-,25+,26+,29+,30-/m1/s1
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n/an/a 900n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibitory activity tested against cell division cycle 25A (assay using fluorescein diphosphate (FDP) as substrate)

J Med Chem 44: 834-48 (2001)


BindingDB Entry DOI: 10.7270/Q2C82B14
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 1


(Homo sapiens (Human))		BDBM50097528
PNG
(CHEMBL169020 | Dithiocarbonic acid O-[17-(1,5-dime...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(S)=S
Show InChI InChI=1S/C28H48OS2/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(29-26(30)31)13-15-27(20,4)25(22)14-16-28(23,24)5/h18-25H,6-17H2,1-5H3,(H,30,31)/t19-,20+,21+,22+,23-,24+,25+,27+,28-/m1/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibitory activity tested against cell division cycle 25A (assay using fluorescein diphosphate (FDP) as substrate)

J Med Chem 44: 834-48 (2001)


BindingDB Entry DOI: 10.7270/Q2C82B14
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50005895
PNG
(CHEMBL416614 | Carbonic acid 4,5-bis-butoxycarbony...)
Show SMILES CCCCOC(=O)Oc1cc(OC(=O)OCCCC)c2C(=O)c3c(OC(=O)OCCCC)cc(C)cc3C(=O)c2c1
Show InChI InChI=1S/C30H34O11/c1-5-8-11-36-28(33)39-19-16-21-25(23(17-19)41-30(35)38-13-10-7-3)27(32)24-20(26(21)31)14-18(4)15-22(24)40-29(34)37-12-9-6-2/h14-17H,5-13H2,1-4H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase.

J Med Chem 35: 1597-605 (1992)


BindingDB Entry DOI: 10.7270/Q2QN67D7
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50005897
PNG
(CHEMBL40840 | Carbonic acid 8-butoxycarbonyloxy-3-...)
Show SMILES CCCCOC(=O)Oc1cc(C)cc2C(=O)c3cc(OCCC)cc(OC(=O)OCCCC)c3C(=O)c12
Show InChI InChI=1S/C28H32O9/c1-5-8-11-34-27(31)36-21-14-17(4)13-19-23(21)26(30)24-20(25(19)29)15-18(33-10-7-3)16-22(24)37-28(32)35-12-9-6-2/h13-16H,5-12H2,1-4H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Compound was tested for the enzyme inhibitory activity against Human Leukocyte Elastase (HLE)

J Med Chem 35: 1597-605 (1992)


BindingDB Entry DOI: 10.7270/Q2QN67D7
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50005903
PNG
(CHEMBL44123 | Carbonic acid 8-butoxycarbonyloxy-7-...)
Show SMILES CCCCCCc1ccc2C(=O)c3cccc(OC(=O)OCCCC)c3C(=O)c2c1OC(=O)OCCCC
Show InChI InChI=1S/C30H36O8/c1-4-7-10-11-13-20-16-17-22-25(28(20)38-30(34)36-19-9-6-3)27(32)24-21(26(22)31)14-12-15-23(24)37-29(33)35-18-8-5-2/h12,14-17H,4-11,13,18-19H2,1-3H3
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n/an/a 2.10E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase.

J Med Chem 35: 1597-605 (1992)


BindingDB Entry DOI: 10.7270/Q2QN67D7
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 1


(Homo sapiens (Human))		BDBM50097542
PNG
(CHEMBL354816 | Phenyl-thiocarbamic acid O-[17-(1,5...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=S)Nc1ccccc1
Show InChI InChI=1S/C34H53NOS/c1-23(2)10-9-11-24(3)29-16-17-30-28-15-14-25-22-27(36-32(37)35-26-12-7-6-8-13-26)18-20-33(25,4)31(28)19-21-34(29,30)5/h6-8,12-13,23-25,27-31H,9-11,14-22H2,1-5H3,(H,35,37)/t24-,25+,27+,28+,29-,30+,31+,33+,34-/m1/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibitory activity tested against cell division cycle 25A (assay using fluorescein diphosphate (FDP) as substrate)

J Med Chem 44: 834-48 (2001)


BindingDB Entry DOI: 10.7270/Q2C82B14
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 1


(Homo sapiens (Human))		BDBM50097530
PNG
(CHEMBL168868 | [5-(5-Cyano-1-methyl-pentyl)-1-(1,5...)
Show SMILES CC(C)CCCC(C)[C@H]1CC[C@H]2[C@H](CC(O)=O)[C@H](CC[C@]12C)C(C)CCCCC#N
Show InChI InChI=1S/C27H47NO2/c1-19(2)10-9-12-21(4)24-13-14-25-23(18-26(29)30)22(15-16-27(24,25)5)20(3)11-7-6-8-17-28/h19-25H,6-16,18H2,1-5H3,(H,29,30)/t20?,21?,22-,23-,24-,25+,27-/m1/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibitory activity tested against cell division cycle 25A (assay using fluorescein diphosphate (FDP) as substrate)

J Med Chem 44: 834-48 (2001)


BindingDB Entry DOI: 10.7270/Q2C82B14
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 1


(Homo sapiens (Human))		BDBM50068031
PNG
(CHEMBL142455 | [(1R,3aS,4R,5S,7aR)-5-(5-Cyano-1-me...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CC(O)=O)[C@H](CC[C@]12C)C(=C)CCCCC#N
Show InChI InChI=1S/C27H45NO2/c1-19(2)10-9-12-21(4)24-13-14-25-23(18-26(29)30)22(15-16-27(24,25)5)20(3)11-7-6-8-17-28/h19,21-25H,3,6-16,18H2,1-2,4-5H3,(H,29,30)/t21-,22-,23-,24-,25+,27-/m1/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Cdc25A phosphatase by using fluorescein diphosphate as substrate

J Med Chem 41: 4677-80 (1998)


Article DOI: 10.1021/jm980500r
BindingDB Entry DOI: 10.7270/Q2PC31JB
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 1


(Homo sapiens (Human))		BDBM50097530
PNG
(CHEMBL168868 | [5-(5-Cyano-1-methyl-pentyl)-1-(1,5...)
Show SMILES CC(C)CCCC(C)[C@H]1CC[C@H]2[C@H](CC(O)=O)[C@H](CC[C@]12C)C(C)CCCCC#N
Show InChI InChI=1S/C27H47NO2/c1-19(2)10-9-12-21(4)24-13-14-25-23(18-26(29)30)22(15-16-27(24,25)5)20(3)11-7-6-8-17-28/h19-25H,6-16,18H2,1-5H3,(H,29,30)/t20?,21?,22-,23-,24-,25+,27-/m1/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibitory activity tested against cell division cycle 25A (assay using fluorescein diphosphate (FDP) as substrate)

J Med Chem 44: 834-48 (2001)


BindingDB Entry DOI: 10.7270/Q2C82B14
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 1


(Homo sapiens (Human))		BDBM50068031
PNG
(CHEMBL142455 | [(1R,3aS,4R,5S,7aR)-5-(5-Cyano-1-me...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CC(O)=O)[C@H](CC[C@]12C)C(=C)CCCCC#N
Show InChI InChI=1S/C27H45NO2/c1-19(2)10-9-12-21(4)24-13-14-25-23(18-26(29)30)22(15-16-27(24,25)5)20(3)11-7-6-8-17-28/h19,21-25H,3,6-16,18H2,1-2,4-5H3,(H,29,30)/t21-,22-,23-,24-,25+,27-/m1/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibitory activity tested against cell division cycle 25A (assay using fluorescein diphosphate (FDP) as substrate)

J Med Chem 44: 834-48 (2001)


BindingDB Entry DOI: 10.7270/Q2C82B14
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 1


(Homo sapiens (Human))		BDBM50097539
PNG
(CHEMBL354578 | [5-(5-Cyano-1-methyl-pent-1-enyl)-1...)
Show SMILES CC(C)CCCC(C)[C@H]1CC[C@H]2[C@H](CC(O)=O)[C@H](CC[C@]12C)C(\C)=C/CCCC#N
Show InChI InChI=1S/C27H45NO2/c1-19(2)10-9-12-21(4)24-13-14-25-23(18-26(29)30)22(15-16-27(24,25)5)20(3)11-7-6-8-17-28/h11,19,21-25H,6-10,12-16,18H2,1-5H3,(H,29,30)/b20-11-/t21?,22-,23-,24-,25+,27-/m1/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibitory activity tested against cell division cycle 25A (assay using fluorescein diphosphate (FDP) as substrate)

J Med Chem 44: 834-48 (2001)


BindingDB Entry DOI: 10.7270/Q2C82B14
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50005887
PNG
(CHEMBL440290 | Carbonic acid 8-butoxycarbonyloxy-6...)
Show SMILES CCCCOC(=O)Oc1cc(C)cc2C(=O)c3cc(OC)cc(OC(=O)OCCCC)c3C(=O)c12
Show InChI InChI=1S/C26H28O9/c1-5-7-9-32-25(29)34-19-12-15(3)11-17-21(19)24(28)22-18(23(17)27)13-16(31-4)14-20(22)35-26(30)33-10-8-6-2/h11-14H,5-10H2,1-4H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Compound was tested for the enzyme inhibitory activity against Human Leukocyte Elastase (HLE)

J Med Chem 35: 1597-605 (1992)


BindingDB Entry DOI: 10.7270/Q2QN67D7
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 1


(Homo sapiens (Human))		BDBM50097526
PNG
(CHEMBL172392 | [5-(5-Cyano-4-ethoxy-1-methylene-pe...)
Show SMILES CCOC(CCC(=C)[C@H]1CC[C@]2(C)[C@H](CC[C@H]2[C@@H]1CC(O)=O)C(C)CCCC(C)C)CC#N
Show InChI InChI=1S/C29H49NO3/c1-7-33-23(16-18-30)12-11-21(4)24-15-17-29(6)26(22(5)10-8-9-20(2)3)13-14-27(29)25(24)19-28(31)32/h20,22-27H,4,7-17,19H2,1-3,5-6H3,(H,31,32)/t22?,23?,24-,25-,26-,27+,29-/m1/s1
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n/an/a 2.90E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibitory activity tested against cell division cycle 25A (assay using fluorescein diphosphate (FDP) as substrate)

J Med Chem 44: 834-48 (2001)


BindingDB Entry DOI: 10.7270/Q2C82B14
More data for this
Ligand-Target Pair
Carbonyl reductase [NADPH] 1


(Homo sapiens (Human))		BDBM50308753
PNG
(3-(Methyl-N-ethylcarbamate)-5-hydroxybenz[f]indazo...)
Show SMILES COC(=O)NCCc1n[nH]c2c1C(=O)c1c(O)cccc1C2=O
Show InChI InChI=1S/C15H13N3O5/c1-23-15(22)16-6-5-8-11-12(18-17-8)13(20)7-3-2-4-9(19)10(7)14(11)21/h2-4,19H,5-6H2,1H3,(H,16,22)(H,17,18)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Howard University

Curated by ChEMBL


Assay Description
Displacement of menadione from human recombinant CBR expressed in Escherichia coli BL21 (DE3)

Bioorg Med Chem 18: 134-41 (2010)


Article DOI: 10.1016/j.bmc.2009.11.011
BindingDB Entry DOI: 10.7270/Q2XG9R7G
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50005883
PNG
(1,8-Dihydroxy-2-pentyl-anthraquinone | CHEMBL40884)
Show SMILES CCCCCc1ccc2C(=O)c3cccc(O)c3C(=O)c2c1O
Show InChI InChI=1S/C19H18O4/c1-2-3-4-6-11-9-10-13-16(17(11)21)19(23)15-12(18(13)22)7-5-8-14(15)20/h5,7-10,20-21H,2-4,6H2,1H3
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n/an/a 3.90E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase.

J Med Chem 35: 1597-605 (1992)


BindingDB Entry DOI: 10.7270/Q2QN67D7
More data for this
Ligand-Target Pair
Carbonyl reductase [NADPH] 1


(Homo sapiens (Human))		BDBM50308751
PNG
(3-(methyl-N-ethylcarbamate)-6-(N0-ethylphenylamino...)
Show SMILES CCN(c1ccccc1)c1cc(O)c2c(CC=NC(=O)OC)n[nH]c2c1O |w:16.16|
Show InChI InChI=1S/C19H20N4O4/c1-3-23(12-7-5-4-6-8-12)14-11-15(24)16-13(9-10-20-19(26)27-2)21-22-17(16)18(14)25/h4-8,10-11,24-25H,3,9H2,1-2H3,(H,21,22)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Howard University

Curated by ChEMBL


Assay Description
Displacement of menadione from human recombinant CBR expressed in Escherichia coli BL21 (DE3)

Bioorg Med Chem 18: 134-41 (2010)


Article DOI: 10.1016/j.bmc.2009.11.011
BindingDB Entry DOI: 10.7270/Q2XG9R7G
More data for this
Ligand-Target Pair
Carbonyl reductase [NADPH] 1


(Homo sapiens (Human))		BDBM50308750
PNG
(3-(Methyl-N-ethylcarbamate)-6-(N0-methylphenylamin...)
Show SMILES COC(=O)N=CCc1n[nH]c2c(O)c(cc(O)c12)N(C)c1ccccc1 |w:5.5|
Show InChI InChI=1S/C18H18N4O4/c1-22(11-6-4-3-5-7-11)13-10-14(23)15-12(8-9-19-18(25)26-2)20-21-16(15)17(13)24/h3-7,9-10,23-24H,8H2,1-2H3,(H,20,21)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Howard University

Curated by ChEMBL


Assay Description
Displacement of menadione from human recombinant CBR expressed in Escherichia coli BL21 (DE3)

Bioorg Med Chem 18: 134-41 (2010)


Article DOI: 10.1016/j.bmc.2009.11.011
BindingDB Entry DOI: 10.7270/Q2XG9R7G
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 1


(Homo sapiens (Human))		BDBM50068037
PNG
(5-(Benzoyl-{2-[(2,5-diphenyl-oxazole-4-carbonyl)-a...)
Show SMILES CCCCCCCCCC(=O)NC(CCC(=O)N(CCNC(=O)c1nc(oc1-c1ccccc1)-c1ccccc1)C(=O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C40H46N4O7/c1-2-3-4-5-6-7-17-24-33(45)42-32(40(49)50)25-26-34(46)44(39(48)31-22-15-10-16-23-31)28-27-41-37(47)35-36(29-18-11-8-12-19-29)51-38(43-35)30-20-13-9-14-21-30/h8-16,18-23,32H,2-7,17,24-28H2,1H3,(H,41,47)(H,42,45)(H,49,50)
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n/an/a 4.00E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Cdc25A phosphatase by using p-nitrophenylphosphate as substrate

J Med Chem 41: 4677-80 (1998)


Article DOI: 10.1021/jm980500r
BindingDB Entry DOI: 10.7270/Q2PC31JB
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50005884
PNG
(2-Hexyl-1,8-dihydroxy-anthraquinone | CHEMBL41317)
Show SMILES CCCCCCc1ccc2C(=O)c3cccc(O)c3C(=O)c2c1O
Show InChI InChI=1S/C20H20O4/c1-2-3-4-5-7-12-10-11-14-17(18(12)22)20(24)16-13(19(14)23)8-6-9-15(16)21/h6,8-11,21-22H,2-5,7H2,1H3
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n/an/a 4.20E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase.

J Med Chem 35: 1597-605 (1992)


BindingDB Entry DOI: 10.7270/Q2QN67D7
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50005882
PNG
(1,8-Dihydroxy-2-propyl-anthraquinone | CHEMBL40292)
Show SMILES CCCc1ccc2C(=O)c3cccc(O)c3C(=O)c2c1O
Show InChI InChI=1S/C17H14O4/c1-2-4-9-7-8-11-14(15(9)19)17(21)13-10(16(11)20)5-3-6-12(13)18/h3,5-8,18-19H,2,4H2,1H3
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n/an/a 4.20E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase.

J Med Chem 35: 1597-605 (1992)


BindingDB Entry DOI: 10.7270/Q2QN67D7
More data for this
Ligand-Target Pair
Carbonyl reductase [NADPH] 1


(Homo sapiens (Human))		BDBM50308754
PNG
(3-(Methyl-N-ethylcarbamate)-6,7-dichloro-5,8-dimet...)
Show SMILES COC(=O)NCCc1n[nH]c2c1C(=O)c1c(OC)c(Cl)c(Cl)c(OC)c1C2=O
Show InChI InChI=1S/C17H15Cl2N3O6/c1-26-15-8-9(16(27-2)11(19)10(15)18)14(24)12-7(13(8)23)6(21-22-12)4-5-20-17(25)28-3/h4-5H2,1-3H3,(H,20,25)(H,21,22)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Howard University

Curated by ChEMBL


Assay Description
Displacement of menadione from human recombinant CBR expressed in Escherichia coli BL21 (DE3)

Bioorg Med Chem 18: 134-41 (2010)


Article DOI: 10.1016/j.bmc.2009.11.011
BindingDB Entry DOI: 10.7270/Q2XG9R7G
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 1


(Homo sapiens (Human))		BDBM50097534
PNG
(5-[3-(1,5-Dimethyl-hexyl)-3a,6-dimethyl-8-oxo-dode...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)O[C@](C)(CCCCC(O)=O)[C@H]3CC[C@]12C
Show InChI InChI=1S/C27H46O4/c1-18(2)9-8-10-19(3)21-12-13-22-20-17-25(30)31-27(5,15-7-6-11-24(28)29)23(20)14-16-26(21,22)4/h18-23H,6-17H2,1-5H3,(H,28,29)/t19-,20+,21-,22+,23+,26-,27-/m1/s1
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n/an/a 5.10E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibitory activity tested against cell division cycle 25A (assay using fluorescein diphosphate (FDP) as substrate)

J Med Chem 44: 834-48 (2001)


BindingDB Entry DOI: 10.7270/Q2C82B14
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50005900
PNG
(CHEMBL43983 | Carbonic acid 8-butoxycarbonyloxy-3-...)
Show SMILES CCCCOC(=O)Oc1cccc2C(=O)c3cc(C)cc(OC(=O)OCCCC)c3C(=O)c12
Show InChI InChI=1S/C25H26O8/c1-4-6-11-30-24(28)32-18-10-8-9-16-20(18)23(27)21-17(22(16)26)13-15(3)14-19(21)33-25(29)31-12-7-5-2/h8-10,13-14H,4-7,11-12H2,1-3H3
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n/an/a 5.10E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase.

J Med Chem 35: 1597-605 (1992)


BindingDB Entry DOI: 10.7270/Q2QN67D7
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 1


(Homo sapiens (Human))		BDBM50097540
PNG
(CHEMBL434693 | [1-(1,5-Dimethyl-hexyl)-7a-methyl-5...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CC(O)=O)[C@H](CC[C@]12C)[C@@]1(C)CC=CCC1=O |c:27|
Show InChI InChI=1S/C27H44O3/c1-18(2)9-8-10-19(3)21-12-13-22-20(17-25(29)30)23(14-16-26(21,22)4)27(5)15-7-6-11-24(27)28/h6-7,18-23H,8-17H2,1-5H3,(H,29,30)/t19-,20+,21-,22+,23+,26-,27-/m1/s1
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n/an/a 5.80E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibitory activity tested against cell division cycle 25A (assay using fluorescein diphosphate (FDP) as substrate)

J Med Chem 44: 834-48 (2001)


BindingDB Entry DOI: 10.7270/Q2C82B14
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50005898
PNG
(1,8-Dihydroxy-3-methyl-6-propoxy-anthraquinone | C...)
Show SMILES CCCOc1cc(O)c2C(=O)c3c(O)cc(C)cc3C(=O)c2c1
Show InChI InChI=1S/C18H16O5/c1-3-4-23-10-7-12-16(14(20)8-10)18(22)15-11(17(12)21)5-9(2)6-13(15)19/h5-8,19-20H,3-4H2,1-2H3
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n/an/a 5.90E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Compound was tested for the enzyme inhibitory activity against Human Leukocyte Elastase (HLE) at 62 uM concentration

J Med Chem 35: 1597-605 (1992)


BindingDB Entry DOI: 10.7270/Q2QN67D7
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50005905
PNG
(2-Butyl-1-hydroxy-8-methoxy-anthraquinone | CHEMBL...)
Show SMILES CCCCc1ccc2C(=O)c3cccc(OC)c3C(=O)c2c1O
Show InChI InChI=1S/C19H18O4/c1-3-4-6-11-9-10-13-16(17(11)20)19(22)15-12(18(13)21)7-5-8-14(15)23-2/h5,7-10,20H,3-4,6H2,1-2H3
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n/an/a 5.90E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase.

J Med Chem 35: 1597-605 (1992)


BindingDB Entry DOI: 10.7270/Q2QN67D7
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 1


(Homo sapiens (Human))		BDBM50097544
PNG
(CHEMBL169414 | [1-(1,5-Dimethyl-hexyl)-7a-methyl-5...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CC(O)=O)[C@H](CC[C@]12C)[C@@]1(C)CCCCC1=O
Show InChI InChI=1S/C27H46O3/c1-18(2)9-8-10-19(3)21-12-13-22-20(17-25(29)30)23(14-16-26(21,22)4)27(5)15-7-6-11-24(27)28/h18-23H,6-17H2,1-5H3,(H,29,30)/t19-,20+,21-,22+,23+,26-,27-/m1/s1
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n/an/a 5.90E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibitory activity tested against cell division cycle 25A (assay using fluorescein diphosphate (FDP) as substrate)

J Med Chem 44: 834-48 (2001)


BindingDB Entry DOI: 10.7270/Q2C82B14
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50005885
PNG
(2-Hexyl-1-hydroxy-8-methoxy-anthraquinone | CHEMBL...)
Show SMILES CCCCCCc1ccc2C(=O)c3cccc(OC)c3C(=O)c2c1O
Show InChI InChI=1S/C21H22O4/c1-3-4-5-6-8-13-11-12-15-18(19(13)22)21(24)17-14(20(15)23)9-7-10-16(17)25-2/h7,9-12,22H,3-6,8H2,1-2H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Compound was tested for the enzyme inhibitory activity against Human Leukocyte elastase

J Med Chem 35: 1597-605 (1992)


BindingDB Entry DOI: 10.7270/Q2QN67D7
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50005888
PNG
(1-Hydroxy-8-methoxy-2-pentyl-anthraquinone | CHEMB...)
Show SMILES CCCCCc1ccc2C(=O)c3cccc(OC)c3C(=O)c2c1O
Show InChI InChI=1S/C20H20O4/c1-3-4-5-7-12-10-11-14-17(18(12)21)20(23)16-13(19(14)22)8-6-9-15(16)24-2/h6,8-11,21H,3-5,7H2,1-2H3
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n/an/a 6.10E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase.

J Med Chem 35: 1597-605 (1992)


BindingDB Entry DOI: 10.7270/Q2QN67D7
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50005886
PNG
(1,8-Dihydroxy-3-methoxy-6-methylanthraquinone | 1,...)
Show SMILES COc1cc(O)c2C(=O)c3c(O)cc(C)cc3C(=O)c2c1
Show InChI InChI=1S/C16H12O5/c1-7-3-9-13(11(17)4-7)16(20)14-10(15(9)19)5-8(21-2)6-12(14)18/h3-6,17-18H,1-2H3
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n/an/a 6.20E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Compound was tested for the enzyme inhibitory activity against Human Leukocyte Elastase (HLE) at 65 uM concentration

J Med Chem 35: 1597-605 (1992)


BindingDB Entry DOI: 10.7270/Q2QN67D7
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50005896
PNG
(2-Butyl-1,8-dihydroxy-anthraquinone | CHEMBL41504)
Show SMILES CCCCc1ccc2C(=O)c3cccc(O)c3C(=O)c2c1O
Show InChI InChI=1S/C18H16O4/c1-2-3-5-10-8-9-12-15(16(10)20)18(22)14-11(17(12)21)6-4-7-13(14)19/h4,6-9,19-20H,2-3,5H2,1H3
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n/an/a 6.40E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase.

J Med Chem 35: 1597-605 (1992)


BindingDB Entry DOI: 10.7270/Q2QN67D7
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 3


(Homo sapiens (Human))		BDBM50068031
PNG
(CHEMBL142455 | [(1R,3aS,4R,5S,7aR)-5-(5-Cyano-1-me...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CC(O)=O)[C@H](CC[C@]12C)C(=C)CCCCC#N
Show InChI InChI=1S/C27H45NO2/c1-19(2)10-9-12-21(4)24-13-14-25-23(18-26(29)30)22(15-16-27(24,25)5)20(3)11-7-6-8-17-28/h19,21-25H,3,6-16,18H2,1-2,4-5H3,(H,29,30)/t21-,22-,23-,24-,25+,27-/m1/s1
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n/an/a 6.50E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Human cell division cycle 25 degree C

J Med Chem 44: 834-48 (2001)


BindingDB Entry DOI: 10.7270/Q2C82B14
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50005902
PNG
(2-Benzyl-1-hydroxy-anthraquinone | CHEMBL43177)
Show SMILES Oc1c(Cc2ccccc2)ccc2C(=O)c3ccccc3C(=O)c12
Show InChI InChI=1S/C21H14O3/c22-19-14(12-13-6-2-1-3-7-13)10-11-17-18(19)21(24)16-9-5-4-8-15(16)20(17)23/h1-11,22H,12H2
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n/an/a 6.60E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Compound was tested for the enzyme inhibitory activity against Human Leukocyte elastase

J Med Chem 35: 1597-605 (1992)


BindingDB Entry DOI: 10.7270/Q2QN67D7
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50005915
PNG
(2-Benzyl-1-hydroxy-8-methoxy-anthraquinone | CHEMB...)
Show SMILES COc1cccc2C(=O)c3ccc(Cc4ccccc4)c(O)c3C(=O)c12
Show InChI InChI=1S/C22H16O4/c1-26-17-9-5-8-15-18(17)22(25)19-16(21(15)24)11-10-14(20(19)23)12-13-6-3-2-4-7-13/h2-11,23H,12H2,1H3
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n/an/a 6.70E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase.

J Med Chem 35: 1597-605 (1992)


BindingDB Entry DOI: 10.7270/Q2QN67D7
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 1


(Homo sapiens (Human))		BDBM50097546
PNG
(Sulfuric acidmono-{5-furan-3-yl-2-methyl-1-[1-(2,5...)
Show SMILES C[C@H](CCCc1ccoc1)[C@@H](OS([O-])(=O)=O)C(C)[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@]12C |c:21|
Show InChI InChI=1S/C26H42O5S/c1-18-11-12-22-25(4,5)14-8-15-26(22,6)23(18)20(3)24(31-32(27,28)29)19(2)9-7-10-21-13-16-30-17-21/h11,13,16-17,19-20,22-24H,7-10,12,14-15H2,1-6H3,(H,27,28,29)/p-1/t19-,20?,22+,23-,24-,26+/m1/s1
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n/an/a 7.80E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibitory activity tested against cell division cycle 25A (assay using fluorescein diphosphate (FDP) as substrate)

J Med Chem 44: 834-48 (2001)


BindingDB Entry DOI: 10.7270/Q2C82B14
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50005891
PNG
(1,8-Dihydroxy-2-isobutyl-anthraquinone | CHEMBL434...)
Show SMILES CC(C)Cc1ccc2C(=O)c3cccc(O)c3C(=O)c2c1O
Show InChI InChI=1S/C18H16O4/c1-9(2)8-10-6-7-12-15(16(10)20)18(22)14-11(17(12)21)4-3-5-13(14)19/h3-7,9,19-20H,8H2,1-2H3
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n/an/a 8.00E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase.

J Med Chem 35: 1597-605 (1992)


BindingDB Entry DOI: 10.7270/Q2QN67D7
More data for this
Ligand-Target Pair
Cell division control protein 45 homolog


(Homo sapiens (Human))		BDBM50097530
PNG
(CHEMBL168868 | [5-(5-Cyano-1-methyl-pentyl)-1-(1,5...)
Show SMILES CC(C)CCCC(C)[C@H]1CC[C@H]2[C@H](CC(O)=O)[C@H](CC[C@]12C)C(C)CCCCC#N
Show InChI InChI=1S/C27H47NO2/c1-19(2)10-9-12-21(4)24-13-14-25-23(18-26(29)30)22(15-16-27(24,25)5)20(3)11-7-6-8-17-28/h19-25H,6-16,18H2,1-5H3,(H,29,30)/t20?,21?,22-,23-,24-,25+,27-/m1/s1
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n/an/a 8.60E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibitory activity tested against human cell division cycle 45-like 2

J Med Chem 44: 834-48 (2001)


BindingDB Entry DOI: 10.7270/Q2C82B14
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))		BDBM50005892
PNG
(1-Hydroxy-8-methoxy-2-propyl-anthraquinone | CHEMB...)
Show SMILES CCCc1ccc2C(=O)c3cccc(OC)c3C(=O)c2c1O
Show InChI InChI=1S/C18H16O4/c1-3-5-10-8-9-12-15(16(10)19)18(21)14-11(17(12)20)6-4-7-13(14)22-2/h4,6-9,19H,3,5H2,1-2H3
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n/an/a 8.70E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
In vitro inhibition of human leukocyte elastase.

J Med Chem 35: 1597-605 (1992)


BindingDB Entry DOI: 10.7270/Q2QN67D7
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase C


(Homo sapiens (Human))		BDBM50097530
PNG
(CHEMBL168868 | [5-(5-Cyano-1-methyl-pentyl)-1-(1,5...)
Show SMILES CC(C)CCCC(C)[C@H]1CC[C@H]2[C@H](CC(O)=O)[C@H](CC[C@]12C)C(C)CCCCC#N
Show InChI InChI=1S/C27H47NO2/c1-19(2)10-9-12-21(4)24-13-14-25-23(18-26(29)30)22(15-16-27(24,25)5)20(3)11-7-6-8-17-28/h19-25H,6-16,18H2,1-5H3,(H,29,30)/t20?,21?,22-,23-,24-,25+,27-/m1/s1
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n/an/a 9.10E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibitory activity tested against Human CD45 Phosphatase (assay using fluorescein diphosphate (FDP) as substrate)

J Med Chem 44: 834-48 (2001)


BindingDB Entry DOI: 10.7270/Q2C82B14
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 1


(Homo sapiens (Human))		BDBM50097543
PNG
(CHEMBL165813 | [5-(4-Acetoxy-1-methyl-2-oxo-cycloh...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H](CC(O)=O)[C@H](CC[C@]12C)[C@@]1(C)CCC(CC1=O)OC(C)=O
Show InChI InChI=1S/C29H48O5/c1-18(2)8-7-9-19(3)23-10-11-24-22(17-27(32)33)25(13-15-28(23,24)5)29(6)14-12-21(16-26(29)31)34-20(4)30/h18-19,21-25H,7-17H2,1-6H3,(H,32,33)/t19-,21?,22+,23-,24+,25+,28-,29-/m1/s1
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n/an/a 9.30E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibitory activity tested against cell division cycle 25A (assay using fluorescein diphosphate (FDP) as substrate)

J Med Chem 44: 834-48 (2001)


BindingDB Entry DOI: 10.7270/Q2C82B14
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 1


(Homo sapiens (Human))		BDBM50341997
PNG
(CHEMBL1765353 | Dysidiolide)
Show SMILES C[C@@H]1CC=C2[C@@H](CCC[C@@]2(C)CCCC(C)=C)[C@]1(C)C[C@@H](O)C1=CC(=O)O[C@H]1O |r,c:3,t:24|
Show InChI InChI=1S/C25H38O4/c1-16(2)8-6-12-24(4)13-7-9-20-19(24)11-10-17(3)25(20,5)15-21(26)18-14-22(27)29-23(18)28/h11,14,17,20-21,23,26,28H,1,6-10,12-13,15H2,2-5H3/t17-,20-,21-,23-,24-,25-/m1/s1
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n/an/a 9.40E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Inhibitory activity tested against cell division cycle 25A (assay using fluorescein diphosphate (FDP) as substrate)

J Med Chem 44: 834-48 (2001)


BindingDB Entry DOI: 10.7270/Q2C82B14
More data for this
Ligand-Target Pair
M-phase inducer phosphatase 1


(Homo sapiens (Human))		BDBM50341997
PNG
(CHEMBL1765353 | Dysidiolide)
Show SMILES C[C@@H]1CC=C2[C@@H](CCC[C@@]2(C)CCCC(C)=C)[C@]1(C)C[C@@H](O)C1=CC(=O)O[C@H]1O |r,c:3,t:24|
Show InChI InChI=1S/C25H38O4/c1-16(2)8-6-12-24(4)13-7-9-20-19(24)11-10-17(3)25(20,5)15-21(26)18-14-22(27)29-23(18)28/h11,14,17,20-21,23,26,28H,1,6-10,12-13,15H2,2-5H3/t17-,20-,21-,23-,24-,25-/m1/s1
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n/an/a 9.40E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Cdc25A phosphatase by using p-nitrophenylphosphate as substrate

J Med Chem 41: 4677-80 (1998)


Article DOI: 10.1021/jm980500r
BindingDB Entry DOI: 10.7270/Q2PC31JB
More data for this
Ligand-Target Pair
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