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Compile Data Set for Download or QSAR

Found 46 hits with Last Name = 'hosmane' and Initial = 'rs'   
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
Adenosine deaminase


(Homo sapiens (Human))
BDBM50367032
PNG
(COFORMYCIN)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2[C@H](O)CNC=Nc12 |r,c:18|
Show InChI InChI=1S/C11H16N4O5/c16-2-6-8(18)9(19)11(20-6)15-4-14-7-5(17)1-12-3-13-10(7)15/h3-6,8-9,11,16-19H,1-2H2,(H,12,13)/t5-,6-,8-,9-,11-/m1/s1
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0.000100n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of adenosine deaminase


Bioorg Med Chem Lett 22: 7214-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.053
BindingDB Entry DOI: 10.7270/Q2MC916H
More data for this
Ligand-Target Pair
Adenosine deaminase


(Homo sapiens (Human))
BDBM22925
PNG
((8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxol...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2[C@H](O)CNC=Nc12 |c:17|
Show InChI InChI=1S/C11H16N4O4/c16-3-8-6(17)1-9(19-8)15-5-14-10-7(18)2-12-4-13-11(10)15/h4-9,16-18H,1-3H2,(H,12,13)/t6-,7+,8+,9+/m0/s1
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0.000100n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of adenosine deaminase


Bioorg Med Chem Lett 22: 7214-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.053
BindingDB Entry DOI: 10.7270/Q2MC916H
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM22925
PNG
((8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxol...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2[C@H](O)CNC=Nc12 |c:17|
Show InChI InChI=1S/C11H16N4O4/c16-3-8-6(17)1-9(19-8)15-5-14-10-7(18)2-12-4-13-11(10)15/h4-9,16-18H,1-3H2,(H,12,13)/t6-,7+,8+,9+/m0/s1
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0.00100n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards calf spleen adenosine deaminase was determined


J Med Chem 47: 1044-50 (2004)


Article DOI: 10.1021/jm0304257
BindingDB Entry DOI: 10.7270/Q2GM882D
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50367032
PNG
(COFORMYCIN)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2[C@H](O)CNC=Nc12 |r,c:18|
Show InChI InChI=1S/C11H16N4O5/c16-2-6-8(18)9(19)11(20-6)15-4-14-7-5(17)1-12-3-13-10(7)15/h3-6,8-9,11,16-19H,1-2H2,(H,12,13)/t5-,6-,8-,9-,11-/m1/s1
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0.0100n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards calf spleen adenosine deaminase was determined


J Med Chem 47: 1044-50 (2004)


Article DOI: 10.1021/jm0304257
BindingDB Entry DOI: 10.7270/Q2GM882D
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM22925
PNG
((8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxol...)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2[C@H](O)CNC=Nc12 |c:17|
Show InChI InChI=1S/C11H16N4O4/c16-3-8-6(17)1-9(19-8)15-5-14-10-7(18)2-12-4-13-11(10)15/h4-9,16-18H,1-3H2,(H,12,13)/t6-,7+,8+,9+/m0/s1
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0.0100n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine deaminase from calf intestinal mucosa was determined


Bioorg Med Chem Lett 11: 2893-6 (2001)


BindingDB Entry DOI: 10.7270/Q28K79MD
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50034908
PNG
((2R,3S)-3-((R)-6-Amino-purin-9-yl)-nonan-2-ol | (2...)
Show SMILES CCCCCC[C@@H]([C@@H](C)O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)/t10-,11+/m1/s1
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10n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine deaminase from calf intestinal mucosa was determined


Bioorg Med Chem Lett 11: 2893-6 (2001)


BindingDB Entry DOI: 10.7270/Q28K79MD
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM21955
PNG
(4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxym...)
Show SMILES Nc1n[nH]c(=O)c2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C10H13N5O5/c11-8-4-5(9(19)14-13-8)15(2-12-4)10-7(18)6(17)3(1-16)20-10/h2-3,6-7,10,16-18H,1H2,(H2,11,13)(H,14,19)/t3-,6-,7-,10-/m1/s1
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1.06E+4 -28.4n/an/an/an/an/a7.025



University of Maryland Baltimore County



Assay Description
The target compounds were screened against calf intestine ADA in vitro by monitoring the rate of hydrolyzing adenosine into inosine spectrophotometri...


J Med Chem 51: 694-8 (2008)


Article DOI: 10.1021/jm700931t
BindingDB Entry DOI: 10.7270/Q20R9MP1
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50139883
PNG
(1-(4-Methoxy-benzyl)-6,7-dimethyl-8-propoxy-1,6,7,...)
Show SMILES CCCOC1N(C)N(C)C=Nc2ncn(Cc3ccc(OC)cc3)c12 |c:9|
Show InChI InChI=1S/C18H25N5O2/c1-5-10-25-18-16-17(19-12-21(2)22(18)3)20-13-23(16)11-14-6-8-15(24-4)9-7-14/h6-9,12-13,18H,5,10-11H2,1-4H3
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1.20E+4n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards calf spleen adenosine deaminase was determined


J Med Chem 47: 1044-50 (2004)


Article DOI: 10.1021/jm0304257
BindingDB Entry DOI: 10.7270/Q2GM882D
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM21953
PNG
(4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)o...)
Show SMILES Nc1n[nH]c(=O)c2n(cnc12)[C@H]1C[C@H](O)[C@@H](CO)O1 |r|
Show InChI InChI=1S/C10H13N5O4/c11-9-7-8(10(18)14-13-9)15(3-12-7)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H2,11,13)(H,14,18)/t4-,5+,6+/m0/s1
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1.21E+4 -28.1n/an/an/an/an/a7.025



University of Maryland Baltimore County



Assay Description
The target compounds were screened against calf intestine ADA in vitro by monitoring the rate of hydrolyzing adenosine into inosine spectrophotometri...


J Med Chem 51: 694-8 (2008)


Article DOI: 10.1021/jm700931t
BindingDB Entry DOI: 10.7270/Q20R9MP1
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50139887
PNG
(8-Butoxy-1-(4-methoxy-benzyl)-6,7-dimethyl-1,6,7,8...)
Show SMILES CCCCOC1N(C)N(C)C=Nc2ncn(Cc3ccc(OC)cc3)c12 |c:10|
Show InChI InChI=1S/C19H27N5O2/c1-5-6-11-26-19-17-18(20-13-22(2)23(19)3)21-14-24(17)12-15-7-9-16(25-4)10-8-15/h7-10,13-14,19H,5-6,11-12H2,1-4H3
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1.50E+4n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards calf spleen adenosine deaminase was determined


J Med Chem 47: 1044-50 (2004)


Article DOI: 10.1021/jm0304257
BindingDB Entry DOI: 10.7270/Q2GM882D
More data for this
Ligand-Target Pair
Guanine deaminase


(Homo sapiens (Human))
BDBM50378883
PNG
(CHEMBL1645489)
Show SMILES OCC1(NC(=O)OCc2ccccc2)NC(=O)c2ncn(Cc3ccccc3)c2NC1=O
Show InChI InChI=1S/C22H21N5O5/c28-13-22(26-21(31)32-12-16-9-5-2-6-10-16)20(30)24-18-17(19(29)25-22)23-14-27(18)11-15-7-3-1-4-8-15/h1-10,14,28H,11-13H2,(H,24,30)(H,25,29)(H,26,31)
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1.67E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of guanase by Lineweaver-Burk plot analysis


Bioorg Med Chem Lett 21: 756-9 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.109
BindingDB Entry DOI: 10.7270/Q2XK8GJV
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50139885
PNG
(8-Ethoxy-1-(4-methoxy-benzyl)-6,7-dimethyl-1,6,7,8...)
Show SMILES CCOC1N(C)N(C)C=Nc2ncn(Cc3ccc(OC)cc3)c12 |c:8|
Show InChI InChI=1S/C17H23N5O2/c1-5-24-17-15-16(18-11-20(2)21(17)3)19-12-22(15)10-13-6-8-14(23-4)9-7-13/h6-9,11-12,17H,5,10H2,1-4H3
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2.00E+4n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards calf spleen adenosine deaminase was determined


J Med Chem 47: 1044-50 (2004)


Article DOI: 10.1021/jm0304257
BindingDB Entry DOI: 10.7270/Q2GM882D
More data for this
Ligand-Target Pair
Guanine deaminase


(Homo sapiens (Human))
BDBM50193757
PNG
(3-benzyl-4,5,7,8-tetrahydro-6-hydroxymethyl-6H-imi...)
Show SMILES OCC1NC(=O)c2ncn(Cc3ccccc3)c2NC1=O
Show InChI InChI=1S/C14H14N4O3/c19-7-10-13(20)17-12-11(14(21)16-10)15-8-18(12)6-9-4-2-1-3-5-9/h1-5,8,10,19H,6-7H2,(H,16,21)(H,17,20)
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2.01E+4n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of rabbit liver guanase


Bioorg Med Chem Lett 16: 5551-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.033
BindingDB Entry DOI: 10.7270/Q2FB52J0
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50139886
PNG
(1-(4-Methoxy-benzyl)-8-(2-methoxy-ethoxy)-6,7-dime...)
Show SMILES COCCOC1N(C)N(C)C=Nc2ncn(Cc3ccc(OC)cc3)c12 |c:10|
Show InChI InChI=1S/C18H25N5O3/c1-21-12-19-17-16(18(22(21)2)26-10-9-24-3)23(13-20-17)11-14-5-7-15(25-4)8-6-14/h5-8,12-13,18H,9-11H2,1-4H3
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2.30E+4n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards calf spleen adenosine deaminase was determined


J Med Chem 47: 1044-50 (2004)


Article DOI: 10.1021/jm0304257
BindingDB Entry DOI: 10.7270/Q2GM882D
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50139881
PNG
(8-Methoxy-1-(4-methoxy-benzyl)-6,7-dimethyl-1,6,7,...)
Show SMILES COC1N(C)N(C)C=Nc2ncn(Cc3ccc(OC)cc3)c12 |c:7|
Show InChI InChI=1S/C16H21N5O2/c1-19-10-17-15-14(16(23-4)20(19)2)21(11-18-15)9-12-5-7-13(22-3)8-6-12/h5-8,10-11,16H,9H2,1-4H3
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2.40E+4n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards calf spleen adenosine deaminase was determined


J Med Chem 47: 1044-50 (2004)


Article DOI: 10.1021/jm0304257
BindingDB Entry DOI: 10.7270/Q2GM882D
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM21957
PNG
(4-(hydrazinocarbonyl)-1-beta-D-ribofuranosyl-1H-im...)
Show SMILES NNC(=N)c1c(ncn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C(=O)NN |r|
Show InChI InChI=1S/C10H17N7O5/c11-8(15-12)5-4(9(21)16-13)14-2-17(5)10-7(20)6(19)3(1-18)22-10/h2-3,6-7,10,18-20H,1,12-13H2,(H2,11,15)(H,16,21)/t3-,6-,7-,10-/m1/s1
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2.65E+4 -26.1n/an/an/an/an/a7.025



University of Maryland Baltimore County



Assay Description
The target compounds were screened against calf intestine ADA in vitro by monitoring the rate of hydrolyzing adenosine into inosine spectrophotometri...


J Med Chem 51: 694-8 (2008)


Article DOI: 10.1021/jm700931t
BindingDB Entry DOI: 10.7270/Q20R9MP1
More data for this
Ligand-Target Pair
Guanine deaminase


(Homo sapiens (Human))
BDBM50106015
PNG
(2-(4,6-Diamino-8-imino-8,8a-dihydro-3aH-1,3,5,7-te...)
Show SMILES Nc1nc(N)c2NCN(COCCO)c2c(=N)n1
Show InChI InChI=1S/C9H15N7O2/c10-7-5-6(8(11)15-9(12)14-7)16(3-13-5)4-18-2-1-17/h13,17H,1-4H2,(H5,10,11,12,14,15)
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2.97E+4n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity against Guanine deaminase (guanase) from rabbit liver was determined


Bioorg Med Chem Lett 11: 2893-6 (2001)


BindingDB Entry DOI: 10.7270/Q28K79MD
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50139884
PNG
(8-Isopropoxy-1-(4-methoxy-benzyl)-6,7-dimethyl-1,6...)
Show SMILES COc1ccc(Cn2cnc3N=CN(C)N(C)C(OC(C)C)c23)cc1 |c:11|
Show InChI InChI=1S/C18H25N5O2/c1-13(2)25-18-16-17(19-11-21(3)22(18)4)20-12-23(16)10-14-6-8-15(24-5)9-7-14/h6-9,11-13,18H,10H2,1-5H3
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3.00E+4n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards calf spleen adenosine deaminase was determined


J Med Chem 47: 1044-50 (2004)


Article DOI: 10.1021/jm0304257
BindingDB Entry DOI: 10.7270/Q2GM882D
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM21956
PNG
(7-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxym...)
Show SMILES Nc1n[nH]c(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c12 |r|
Show InChI InChI=1S/C10H13N5O5/c11-8-5-4(9(19)14-13-8)12-2-15(5)10-7(18)6(17)3(1-16)20-10/h2-3,6-7,10,16-18H,1H2,(H2,11,13)(H,14,19)/t3-,6-,7-,10-/m1/s1
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5.14E+4 -24.5n/an/an/an/an/a7.025



University of Maryland Baltimore County



Assay Description
The target compounds were screened against calf intestine ADA in vitro by monitoring the rate of hydrolyzing adenosine into inosine spectrophotometri...


J Med Chem 51: 694-8 (2008)


Article DOI: 10.1021/jm700931t
BindingDB Entry DOI: 10.7270/Q20R9MP1
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM21954
PNG
(7-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)o...)
Show SMILES Nc1n[nH]c(=O)c2ncn([C@H]3C[C@H](O)[C@@H](CO)O3)c12 |r|
Show InChI InChI=1S/C10H13N5O4/c11-9-8-7(10(18)14-13-9)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H2,11,13)(H,14,18)/t4-,5+,6+/m0/s1
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5.20E+4 -24.5n/an/an/an/an/a7.025



University of Maryland Baltimore County



Assay Description
The target compounds were screened against calf intestine ADA in vitro by monitoring the rate of hydrolyzing adenosine into inosine spectrophotometri...


J Med Chem 51: 694-8 (2008)


Article DOI: 10.1021/jm700931t
BindingDB Entry DOI: 10.7270/Q20R9MP1
More data for this
Ligand-Target Pair
Guanine deaminase


(Homo sapiens (Human))
BDBM50193756
PNG
(4,5,7,8-tetrahydro-6-hydroxymethyl-6H-imidazo[4,5-...)
Show SMILES OCC1NC(=O)c2[nH]cnc2NC1=O
Show InChI InChI=1S/C7H8N4O3/c12-1-3-6(13)11-5-4(7(14)10-3)8-2-9-5/h2-3,12H,1H2,(H,8,9)(H,10,14)(H,11,13)
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5.36E+4n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of rabbit liver guanase


Bioorg Med Chem Lett 16: 5551-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.033
BindingDB Entry DOI: 10.7270/Q2FB52J0
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50139880
PNG
(1-(4-Methoxy-benzyl)-8-(4-methoxy-benzyloxy)-6,7-d...)
Show SMILES COc1ccc(COC2N(C)N(C)C=Nc3ncn(Cc4ccc(OC)cc4)c23)cc1 |c:13|
Show InChI InChI=1S/C23H27N5O3/c1-26-15-24-22-21(28(16-25-22)13-17-5-9-19(29-3)10-6-17)23(27(26)2)31-14-18-7-11-20(30-4)12-8-18/h5-12,15-16,23H,13-14H2,1-4H3
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7.70E+4n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards calf spleen adenosine deaminase was determined


J Med Chem 47: 1044-50 (2004)


Article DOI: 10.1021/jm0304257
BindingDB Entry DOI: 10.7270/Q2GM882D
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50139889
PNG
(1-(4-Methoxy-benzyl)-6,7-dimethyl-8-(3-methyl-benz...)
Show SMILES COc1ccc(Cn2cnc3N=CN(C)N(C)C(OCc4cccc(C)c4)c23)cc1 |c:11|
Show InChI InChI=1S/C23H27N5O2/c1-17-6-5-7-19(12-17)14-30-23-21-22(24-15-26(2)27(23)3)25-16-28(21)13-18-8-10-20(29-4)11-9-18/h5-12,15-16,23H,13-14H2,1-4H3
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9.30E+4n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards calf spleen adenosine deaminase was determined


J Med Chem 47: 1044-50 (2004)


Article DOI: 10.1021/jm0304257
BindingDB Entry DOI: 10.7270/Q2GM882D
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50106015
PNG
(2-(4,6-Diamino-8-imino-8,8a-dihydro-3aH-1,3,5,7-te...)
Show SMILES Nc1nc(N)c2NCN(COCCO)c2c(=N)n1
Show InChI InChI=1S/C9H15N7O2/c10-7-5-6(8(11)15-9(12)14-7)16(3-13-5)4-18-2-1-17/h13,17H,1-4H2,(H5,10,11,12,14,15)
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1.52E+5n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity against Adenosine deaminase from calf intestinal mucosa was determined


Bioorg Med Chem Lett 11: 2893-6 (2001)


BindingDB Entry DOI: 10.7270/Q28K79MD
More data for this
Ligand-Target Pair
Guanine deaminase


(Homo sapiens (Human))
BDBM50073384
PNG
(3-Benzyl-3H-imidazo[4,5-e][1,4]diazepine-6,8-dione...)
Show SMILES O=c1cnc2n(Cc3ccccc3)cnc2c(=O)[nH]1
Show InChI InChI=1S/C13H10N4O2/c18-10-6-14-12-11(13(19)16-10)15-8-17(12)7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H,16,18,19)
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2.27E+5n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory effect on rabbit liver guanase


Bioorg Med Chem Lett 8: 3649-52 (1999)


BindingDB Entry DOI: 10.7270/Q2BV7FR7
More data for this
Ligand-Target Pair
Guanine deaminase


(Homo sapiens (Human))
BDBM50401837
PNG
(CHEMBL2203870)
Show SMILES OC1CNc2nc[nH]c2C(=O)N1
Show InChI InChI=1S/C6H8N4O2/c11-3-1-7-5-4(6(12)10-3)8-2-9-5/h2-3,7,11H,1H2,(H,8,9)(H,10,12)
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of guanase


Bioorg Med Chem Lett 22: 7214-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.053
BindingDB Entry DOI: 10.7270/Q2MC916H
More data for this
Ligand-Target Pair
ATP-dependent RNA helicase SUPV3L1, mitochondrial


(Homo sapiens)
BDBM50474366
PNG
(CHEMBL2112136)
Show SMILES CCCCCCCCCCCCNc1nc(=O)c2n(cnc2c(=O)[nH]1)[C@H]1C[C@H](O)[C@@H](CO)O1
Show InChI InChI=1S/C23H37N5O5/c1-2-3-4-5-6-7-8-9-10-11-12-24-23-26-21(31)19-20(22(32)27-23)28(15-25-19)18-13-16(30)17(14-29)33-18/h15-18,29-30H,2-14H2,1H3,(H2,24,26,27,31,32)/t16-,17+,18+/m0/s1
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n/an/a 6.47E+3n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibitory activity determined against human Suv3 helicase using DNA as substrate


J Med Chem 46: 4776-89 (2003)


Article DOI: 10.1021/jm030277k
BindingDB Entry DOI: 10.7270/Q23B62WR
More data for this
Ligand-Target Pair
ATP-dependent RNA helicase SUPV3L1, mitochondrial


(Homo sapiens)
BDBM50474374
PNG
(CHEMBL501187)
Show SMILES CCCCCCCCCCCCCCCCCCNc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2c(=O)[nH]1 |r|
Show InChI InChI=1S/C29H49N5O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-30-29-32-26(38)22-23(27(39)33-29)34(20-31-22)28-25(37)24(36)21(19-35)40-28/h20-21,24-25,28,35-37H,2-19H2,1H3,(H2,30,32,33,38,39)/t21-,24-,25-,28-/m1/s1
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n/an/a 5.32E+4n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibitory activity against human Suv3 helicase using RNA as substrate


J Med Chem 46: 4776-89 (2003)


Article DOI: 10.1021/jm030277k
BindingDB Entry DOI: 10.7270/Q23B62WR
More data for this
Ligand-Target Pair
ATP-dependent RNA helicase SUPV3L1, mitochondrial


(Homo sapiens)
BDBM50474372
PNG
(CHEMBL3114565)
Show SMILES CCCCCCCCCCCCCCCCNc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2c(=O)[nH]1 |r|
Show InChI InChI=1S/C27H45N5O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-28-27-30-24(36)20-21(25(37)31-27)32(18-29-20)26-23(35)22(34)19(17-33)38-26/h18-19,22-23,26,33-35H,2-17H2,1H3,(H2,28,30,31,36,37)/t19-,22-,23-,26-/m1/s1
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n/an/a 5.60E+4n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibitory activity against human Suv3 helicase using RNA as substrate


J Med Chem 46: 4776-89 (2003)


Article DOI: 10.1021/jm030277k
BindingDB Entry DOI: 10.7270/Q23B62WR
More data for this
Ligand-Target Pair
ATP-dependent RNA helicase SUPV3L1, mitochondrial


(Homo sapiens)
BDBM50474368
PNG
(CHEMBL3114564)
Show SMILES CCCCCCCCCCCCCCNc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2c(=O)[nH]1 |r|
Show InChI InChI=1S/C25H41N5O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-26-25-28-22(34)18-19(23(35)29-25)30(16-27-18)24-21(33)20(32)17(15-31)36-24/h16-17,20-21,24,31-33H,2-15H2,1H3,(H2,26,28,29,34,35)/t17-,20-,21-,24-/m1/s1
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n/an/a 5.90E+4n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibitory activity against human Suv3 helicase using RNA as substrate


J Med Chem 46: 4776-89 (2003)


Article DOI: 10.1021/jm030277k
BindingDB Entry DOI: 10.7270/Q23B62WR
More data for this
Ligand-Target Pair
ATP-dependent RNA helicase SUPV3L1, mitochondrial


(Homo sapiens)
BDBM50474370
PNG
(CHEMBL3114563)
Show SMILES CCCCCCCCCCCCNc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2c(=O)[nH]1 |r|
Show InChI InChI=1S/C23H37N5O6/c1-2-3-4-5-6-7-8-9-10-11-12-24-23-26-20(32)16-17(21(33)27-23)28(14-25-16)22-19(31)18(30)15(13-29)34-22/h14-15,18-19,22,29-31H,2-13H2,1H3,(H2,24,26,27,32,33)/t15-,18-,19-,22-/m1/s1
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n/an/a 3.12E+5n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibitory activity against human Suv3 helicase using RNA as substrate


J Med Chem 46: 4776-89 (2003)


Article DOI: 10.1021/jm030277k
BindingDB Entry DOI: 10.7270/Q23B62WR
More data for this
Ligand-Target Pair
ATP-dependent RNA helicase SUPV3L1, mitochondrial


(Homo sapiens)
BDBM50474371
PNG
(CHEMBL2111998)
Show SMILES CCCCCCCCCCCCNc1nc(=O)c2n(cnc2c(=O)[nH]1)[C@@H]1C[C@H](O)[C@@H](CO)O1
Show InChI InChI=1S/C23H37N5O5/c1-2-3-4-5-6-7-8-9-10-11-12-24-23-26-21(31)19-20(22(32)27-23)28(15-25-19)18-13-16(30)17(14-29)33-18/h15-18,29-30H,2-14H2,1H3,(H2,24,26,27,31,32)/t16-,17+,18-/m0/s1
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n/an/a 3.23E+5n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibitory activity against human Suv3 helicase using RNA as substrate


J Med Chem 46: 4776-89 (2003)


Article DOI: 10.1021/jm030277k
BindingDB Entry DOI: 10.7270/Q23B62WR
More data for this
Ligand-Target Pair
ATP-dependent RNA helicase SUPV3L1, mitochondrial


(Homo sapiens)
BDBM50474371
PNG
(CHEMBL2111998)
Show SMILES CCCCCCCCCCCCNc1nc(=O)c2n(cnc2c(=O)[nH]1)[C@@H]1C[C@H](O)[C@@H](CO)O1
Show InChI InChI=1S/C23H37N5O5/c1-2-3-4-5-6-7-8-9-10-11-12-24-23-26-21(31)19-20(22(32)27-23)28(15-25-19)18-13-16(30)17(14-29)33-18/h15-18,29-30H,2-14H2,1H3,(H2,24,26,27,31,32)/t16-,17+,18-/m0/s1
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n/an/a 5.39E+5n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibitory activity determined against human Suv3 helicase using DNA as substrate


J Med Chem 46: 4776-89 (2003)


Article DOI: 10.1021/jm030277k
BindingDB Entry DOI: 10.7270/Q23B62WR
More data for this
Ligand-Target Pair
ATP-dependent RNA helicase SUPV3L1, mitochondrial


(Homo sapiens)
BDBM50474368
PNG
(CHEMBL3114564)
Show SMILES CCCCCCCCCCCCCCNc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2c(=O)[nH]1 |r|
Show InChI InChI=1S/C25H41N5O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-26-25-28-22(34)18-19(23(35)29-25)30(16-27-18)24-21(33)20(32)17(15-31)36-24/h16-17,20-21,24,31-33H,2-15H2,1H3,(H2,26,28,29,34,35)/t17-,20-,21-,24-/m1/s1
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n/an/a 5.90E+5n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibitory activity determined against human Suv3 helicase using DNA as substrate


J Med Chem 46: 4776-89 (2003)


Article DOI: 10.1021/jm030277k
BindingDB Entry DOI: 10.7270/Q23B62WR
More data for this
Ligand-Target Pair
ATP-dependent RNA helicase SUPV3L1, mitochondrial


(Homo sapiens)
BDBM50474374
PNG
(CHEMBL501187)
Show SMILES CCCCCCCCCCCCCCCCCCNc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2c(=O)[nH]1 |r|
Show InChI InChI=1S/C29H49N5O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-30-29-32-26(38)22-23(27(39)33-29)34(20-31-22)28-25(37)24(36)21(19-35)40-28/h20-21,24-25,28,35-37H,2-19H2,1H3,(H2,30,32,33,38,39)/t21-,24-,25-,28-/m1/s1
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n/an/a>8.86E+5n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibitory activity determined against human Suv3 helicase using DNA as substrate


J Med Chem 46: 4776-89 (2003)


Article DOI: 10.1021/jm030277k
BindingDB Entry DOI: 10.7270/Q23B62WR
More data for this
Ligand-Target Pair
ATP-dependent RNA helicase SUPV3L1, mitochondrial


(Homo sapiens)
BDBM50474372
PNG
(CHEMBL3114565)
Show SMILES CCCCCCCCCCCCCCCCNc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2c(=O)[nH]1 |r|
Show InChI InChI=1S/C27H45N5O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-28-27-30-24(36)20-21(25(37)31-27)32(18-29-20)26-23(35)22(34)19(17-33)38-26/h18-19,22-23,26,33-35H,2-17H2,1H3,(H2,28,30,31,36,37)/t19-,22-,23-,26-/m1/s1
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n/an/a>9.33E+5n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibitory activity determined against human Suv3 helicase using DNA as substrate


J Med Chem 46: 4776-89 (2003)


Article DOI: 10.1021/jm030277k
BindingDB Entry DOI: 10.7270/Q23B62WR
More data for this
Ligand-Target Pair
ATP-dependent RNA helicase SUPV3L1, mitochondrial


(Homo sapiens)
BDBM50474370
PNG
(CHEMBL3114563)
Show SMILES CCCCCCCCCCCCNc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2c(=O)[nH]1 |r|
Show InChI InChI=1S/C23H37N5O6/c1-2-3-4-5-6-7-8-9-10-11-12-24-23-26-20(32)16-17(21(33)27-23)28(14-25-16)22-19(31)18(30)15(13-29)34-22/h14-15,18-19,22,29-31H,2-13H2,1H3,(H2,24,26,27,32,33)/t15-,18-,19-,22-/m1/s1
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n/an/a>1.04E+6n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibitory activity determined against human Suv3 helicase using DNA as substrate


J Med Chem 46: 4776-89 (2003)


Article DOI: 10.1021/jm030277k
BindingDB Entry DOI: 10.7270/Q23B62WR
More data for this
Ligand-Target Pair
ATP-dependent RNA helicase SUPV3L1, mitochondrial


(Homo sapiens)
BDBM50474365
PNG
(CHEMBL145949)
Show SMILES CCCCCCCCCCCCNc1nc(=O)c2n(Cc3ccc(OC)cc3)cnc2c(=O)[nH]1
Show InChI InChI=1S/C26H37N5O3/c1-3-4-5-6-7-8-9-10-11-12-17-27-26-29-24(32)22-23(25(33)30-26)31(19-28-22)18-20-13-15-21(34-2)16-14-20/h13-16,19H,3-12,17-18H2,1-2H3,(H2,27,29,30,32,33)
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n/an/a>1.06E+6n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibitory activity determined against human Suv3 helicase using DNA as substrate


J Med Chem 46: 4776-89 (2003)


Article DOI: 10.1021/jm030277k
BindingDB Entry DOI: 10.7270/Q23B62WR
More data for this
Ligand-Target Pair
ATP-dependent RNA helicase SUPV3L1, mitochondrial


(Homo sapiens)
BDBM50474365
PNG
(CHEMBL145949)
Show SMILES CCCCCCCCCCCCNc1nc(=O)c2n(Cc3ccc(OC)cc3)cnc2c(=O)[nH]1
Show InChI InChI=1S/C26H37N5O3/c1-3-4-5-6-7-8-9-10-11-12-17-27-26-29-24(32)22-23(25(33)30-26)31(19-28-22)18-20-13-15-21(34-2)16-14-20/h13-16,19H,3-12,17-18H2,1-2H3,(H2,27,29,30,32,33)
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n/an/a>1.06E+6n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibitory activity against human Suv3 helicase using RNA as substrate


J Med Chem 46: 4776-89 (2003)


Article DOI: 10.1021/jm030277k
BindingDB Entry DOI: 10.7270/Q23B62WR
More data for this
Ligand-Target Pair
ATP-dependent RNA helicase SUPV3L1, mitochondrial


(Homo sapiens)
BDBM50474366
PNG
(CHEMBL2112136)
Show SMILES CCCCCCCCCCCCNc1nc(=O)c2n(cnc2c(=O)[nH]1)[C@H]1C[C@H](O)[C@@H](CO)O1
Show InChI InChI=1S/C23H37N5O5/c1-2-3-4-5-6-7-8-9-10-11-12-24-23-26-21(31)19-20(22(32)27-23)28(15-25-19)18-13-16(30)17(14-29)33-18/h15-18,29-30H,2-14H2,1H3,(H2,24,26,27,31,32)/t16-,17+,18+/m0/s1
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n/an/a>1.07E+6n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibitory activity against human Suv3 helicase using RNA as substrate


J Med Chem 46: 4776-89 (2003)


Article DOI: 10.1021/jm030277k
BindingDB Entry DOI: 10.7270/Q23B62WR
More data for this
Ligand-Target Pair
ATP-dependent RNA helicase SUPV3L1, mitochondrial


(Homo sapiens)
BDBM50474369
PNG
(CHEMBL3114562)
Show SMILES CCCCCCCCCCNc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2c(=O)[nH]1 |r|
Show InChI InChI=1S/C21H33N5O6/c1-2-3-4-5-6-7-8-9-10-22-21-24-18(30)14-15(19(31)25-21)26(12-23-14)20-17(29)16(28)13(11-27)32-20/h12-13,16-17,20,27-29H,2-11H2,1H3,(H2,22,24,25,30,31)/t13-,16-,17-,20-/m1/s1
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n/an/a>1.10E+6n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibitory activity determined against human Suv3 helicase using DNA as substrate


J Med Chem 46: 4776-89 (2003)


Article DOI: 10.1021/jm030277k
BindingDB Entry DOI: 10.7270/Q23B62WR
More data for this
Ligand-Target Pair
ATP-dependent RNA helicase SUPV3L1, mitochondrial


(Homo sapiens)
BDBM50474369
PNG
(CHEMBL3114562)
Show SMILES CCCCCCCCCCNc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2c(=O)[nH]1 |r|
Show InChI InChI=1S/C21H33N5O6/c1-2-3-4-5-6-7-8-9-10-22-21-24-18(30)14-15(19(31)25-21)26(12-23-14)20-17(29)16(28)13(11-27)32-20/h12-13,16-17,20,27-29H,2-11H2,1H3,(H2,22,24,25,30,31)/t13-,16-,17-,20-/m1/s1
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n/an/a 1.10E+6n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibitory activity against human Suv3 helicase using RNA as substrate


J Med Chem 46: 4776-89 (2003)


Article DOI: 10.1021/jm030277k
BindingDB Entry DOI: 10.7270/Q23B62WR
More data for this
Ligand-Target Pair
ATP-dependent RNA helicase SUPV3L1, mitochondrial


(Homo sapiens)
BDBM50474373
PNG
(CHEMBL611608)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c1c(=O)[nH]c(Nc1ccccc1)nc2=O |r|
Show InChI InChI=1S/C17H17N5O6/c23-6-9-12(24)13(25)16(28-9)22-7-18-10-11(22)15(27)21-17(20-14(10)26)19-8-4-2-1-3-5-8/h1-5,7,9,12-13,16,23-25H,6H2,(H2,19,20,21,26,27)/t9-,12-,13-,16?/m1/s1
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n/an/a>1.29E+6n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibitory activity against human Suv3 helicase using RNA as substrate


J Med Chem 46: 4776-89 (2003)


Article DOI: 10.1021/jm030277k
BindingDB Entry DOI: 10.7270/Q23B62WR
More data for this
Ligand-Target Pair
ATP-dependent RNA helicase SUPV3L1, mitochondrial


(Homo sapiens)
BDBM50474373
PNG
(CHEMBL611608)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c1c(=O)[nH]c(Nc1ccccc1)nc2=O |r|
Show InChI InChI=1S/C17H17N5O6/c23-6-9-12(24)13(25)16(28-9)22-7-18-10-11(22)15(27)21-17(20-14(10)26)19-8-4-2-1-3-5-8/h1-5,7,9,12-13,16,23-25H,6H2,(H2,19,20,21,26,27)/t9-,12-,13-,16?/m1/s1
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n/an/a>1.29E+6n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibitory activity determined against human Suv3 helicase using DNA as substrate


J Med Chem 46: 4776-89 (2003)


Article DOI: 10.1021/jm030277k
BindingDB Entry DOI: 10.7270/Q23B62WR
More data for this
Ligand-Target Pair
ATP-dependent RNA helicase SUPV3L1, mitochondrial


(Homo sapiens)
BDBM50474367
PNG
(CHEMBL344336)
Show SMILES CCCCCCCCCCCCNc1nc(O)c2ncnc2c(O)n1
Show InChI InChI=1S/C18H29N5O2/c1-2-3-4-5-6-7-8-9-10-11-12-19-18-22-16(24)14-15(17(25)23-18)21-13-20-14/h13H,2-12H2,1H3,(H3,19,22,23,24,25)
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n/an/a>1.43E+6n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibitory activity against human Suv3 helicase using RNA as substrate


J Med Chem 46: 4776-89 (2003)


Article DOI: 10.1021/jm030277k
BindingDB Entry DOI: 10.7270/Q23B62WR
More data for this
Ligand-Target Pair
ATP-dependent RNA helicase SUPV3L1, mitochondrial


(Homo sapiens)
BDBM50474367
PNG
(CHEMBL344336)
Show SMILES CCCCCCCCCCCCNc1nc(O)c2ncnc2c(O)n1
Show InChI InChI=1S/C18H29N5O2/c1-2-3-4-5-6-7-8-9-10-11-12-19-18-22-16(24)14-15(17(25)23-18)21-13-20-14/h13H,2-12H2,1H3,(H3,19,22,23,24,25)
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n/an/a>1.43E+6n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibitory activity determined against human Suv3 helicase using DNA as substrate


J Med Chem 46: 4776-89 (2003)


Article DOI: 10.1021/jm030277k
BindingDB Entry DOI: 10.7270/Q23B62WR
More data for this
Ligand-Target Pair