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Compile Data Set for Download or QSAR

Found 445 hits with Last Name = 'kasibhatla' and Initial = 'sr'   
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
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50401333
PNG
(CHEMBL1230584)
Show SMILES COc1c(C)cnc(Cn2cc(C#CCC(C)(C)O)c3c(Cl)nc(N)nc23)c1C
Show InChI InChI=1S/C21H24ClN5O2/c1-12-9-24-15(13(2)17(12)29-5)11-27-10-14(7-6-8-21(3,4)28)16-18(22)25-20(23)26-19(16)27/h9-10,28H,8,11H2,1-5H3,(H2,23,25,26)
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0.200n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Binding affinity at recombinant Hsp90alpha incubated for 16 hrs by fluorescence polarization competition assay


J Med Chem 55: 7786-95 (2012)


Article DOI: 10.1021/jm300810x
BindingDB Entry DOI: 10.7270/Q2V125Z3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM20800
PNG
(2-amino-6-halopurine analogue, 20 | 6-chloro-9-[(4...)
Show SMILES COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc23)c1C
Show InChI InChI=1S/C14H15ClN6O/c1-7-4-17-9(8(2)11(7)22-3)5-21-6-18-10-12(15)19-14(16)20-13(10)21/h4,6H,5H2,1-3H3,(H2,16,19,20)
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1.70n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Binding affinity at recombinant Hsp90alpha incubated for 16 hrs by fluorescence polarization competition assay


J Med Chem 55: 7786-95 (2012)


Article DOI: 10.1021/jm300810x
BindingDB Entry DOI: 10.7270/Q2V125Z3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
AMP deaminase 3 (hAMPD3)


(Homo sapiens (Human))
BDBM50096172
PNG
(1-Bromo-4-[2-(8-hydroxy-7,8-dihydro-6H-imidazo[4,5...)
Show SMILES OC1CNC=Nc2c1ncn2CCc1cc(C(O)=O)c(Br)c2CCCCc12 |c:4|
Show InChI InChI=1S/C19H21BrN4O3/c20-16-13-4-2-1-3-12(13)11(7-14(16)19(26)27)5-6-24-10-23-17-15(25)8-21-9-22-18(17)24/h7,9-10,15,25H,1-6,8H2,(H,21,22)(H,26,27)
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2n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human E-type adenylate deaminase


J Med Chem 44: 613-8 (2001)


BindingDB Entry DOI: 10.7270/Q2BZ659R
More data for this
Ligand-Target Pair
AMP deaminase 3 (hAMPD3)


(Homo sapiens (Human))
BDBM50096166
PNG
(1-Benzyloxy-4-[2-(8-hydroxy-7,8-dihydro-6H-imidazo...)
Show SMILES OC1CNC=Nc2c1ncn2CCc1cc(C(O)=O)c(OCc2ccccc2)c2CCCCc12 |c:4|
Show InChI InChI=1S/C26H28N4O4/c31-22-13-27-15-28-25-23(22)29-16-30(25)11-10-18-12-21(26(32)33)24(20-9-5-4-8-19(18)20)34-14-17-6-2-1-3-7-17/h1-3,6-7,12,15-16,22,31H,4-5,8-11,13-14H2,(H,27,28)(H,32,33)
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9n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human E-type adenylate deaminase


J Med Chem 44: 613-8 (2001)


BindingDB Entry DOI: 10.7270/Q2BZ659R
More data for this
Ligand-Target Pair
AMP deaminase 3 (hAMPD3)


(Homo sapiens (Human))
BDBM50096165
PNG
(4-[2-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...)
Show SMILES OC1CNC=Nc2c1ncn2CCc1cc(cc2CCCCc12)C(O)=O |c:4|
Show InChI InChI=1S/C19H22N4O3/c24-16-9-20-10-21-18-17(16)22-11-23(18)6-5-13-8-14(19(25)26)7-12-3-1-2-4-15(12)13/h7-8,10-11,16,24H,1-6,9H2,(H,20,21)(H,25,26)
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15n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human E-type adenylate deaminase


J Med Chem 44: 613-8 (2001)


BindingDB Entry DOI: 10.7270/Q2BZ659R
More data for this
Ligand-Target Pair
AMP deaminase 3 (hAMPD3)


(Homo sapiens (Human))
BDBM50096169
PNG
(4-[2-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...)
Show SMILES OC1CNC=Nc2c1ncn2CCc1cc(cc2ccccc12)C(O)=O |c:4|
Show InChI InChI=1S/C19H18N4O3/c24-16-9-20-10-21-18-17(16)22-11-23(18)6-5-13-8-14(19(25)26)7-12-3-1-2-4-15(12)13/h1-4,7-8,10-11,16,24H,5-6,9H2,(H,20,21)(H,25,26)
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20n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human E-type adenylate deaminase


J Med Chem 44: 613-8 (2001)


BindingDB Entry DOI: 10.7270/Q2BZ659R
More data for this
Ligand-Target Pair
AMP deaminase 3 (hAMPD3)


(Homo sapiens (Human))
BDBM50087401
PNG
(2-[4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...)
Show SMILES OC1CNC=Nc2c1ncn2CCCCC(Cc1cccc(c1)C(F)(F)F)(C(O)=O)C(O)=O |c:4|
Show InChI InChI=1S/C21H23F3N4O5/c22-21(23,24)14-5-3-4-13(8-14)9-20(18(30)31,19(32)33)6-1-2-7-28-12-27-16-15(29)10-25-11-26-17(16)28/h3-5,8,11-12,15,29H,1-2,6-7,9-10H2,(H,25,26)(H,30,31)(H,32,33)
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29n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine heart or recombinant human E-type AMPDA


J Med Chem 43: 1519-24 (2000)


BindingDB Entry DOI: 10.7270/Q2PK0FC0
More data for this
Ligand-Target Pair
AMP deaminase 3 (hAMPD3)


(Homo sapiens (Human))
BDBM50096170
PNG
(4-[2-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...)
Show SMILES COc1c2CCCCc2c(CCn2cnc3C(O)CNC=Nc23)cc1C(O)=O |c:21|
Show InChI InChI=1S/C20H24N4O4/c1-28-18-14-5-3-2-4-13(14)12(8-15(18)20(26)27)6-7-24-11-23-17-16(25)9-21-10-22-19(17)24/h8,10-11,16,25H,2-7,9H2,1H3,(H,21,22)(H,26,27)
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30n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human E-type adenylate deaminase


J Med Chem 44: 613-8 (2001)


BindingDB Entry DOI: 10.7270/Q2BZ659R
More data for this
Ligand-Target Pair
AMP deaminase 3 (hAMPD3)


(Homo sapiens (Human))
BDBM50087407
PNG
(2-[4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...)
Show SMILES OC1CNC=Nc2c1ncn2CCCCC(Cc1ccc(cc1)C(F)(F)F)(C(O)=O)C(O)=O |c:4|
Show InChI InChI=1S/C21H23F3N4O5/c22-21(23,24)14-5-3-13(4-6-14)9-20(18(30)31,19(32)33)7-1-2-8-28-12-27-16-15(29)10-25-11-26-17(16)28/h3-6,11-12,15,29H,1-2,7-10H2,(H,25,26)(H,30,31)(H,32,33)
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40n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine heart or recombinant human E-type AMPDA


J Med Chem 43: 1519-24 (2000)


BindingDB Entry DOI: 10.7270/Q2PK0FC0
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50087372
PNG
(2-[3-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...)
Show SMILES COC(=O)c1cc(C)ccc1CCCn1cnc2C(O)CNC=Nc12 |c:23|
Show InChI InChI=1S/C18H22N4O3/c1-12-5-6-13(14(8-12)18(24)25-2)4-3-7-22-11-21-16-15(23)9-19-10-20-17(16)22/h5-6,8,10-11,15,23H,3-4,7,9H2,1-2H3,(H,19,20)
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40n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against calf intestinal Adenosine deaminase (ADA)


J Med Chem 43: 1508-18 (2000)


BindingDB Entry DOI: 10.7270/Q2TB1645
More data for this
Ligand-Target Pair
AMP deaminase 3 (hAMPD3)


(Homo sapiens (Human))
BDBM50096167
PNG
(4-[2-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...)
Show SMILES COc1c(CCn2cnc3C(O)CNC=Nc23)c2CCCCc2cc1C(O)=O |c:14|
Show InChI InChI=1S/C20H24N4O4/c1-28-18-14(13-5-3-2-4-12(13)8-15(18)20(26)27)6-7-24-11-23-17-16(25)9-21-10-22-19(17)24/h8,10-11,16,25H,2-7,9H2,1H3,(H,21,22)(H,26,27)
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40n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human E-type adenylate deaminase


J Med Chem 44: 613-8 (2001)


BindingDB Entry DOI: 10.7270/Q2BZ659R
More data for this
Ligand-Target Pair
AMP deaminase 3 (hAMPD3)


(Homo sapiens (Human))
BDBM50087409
PNG
(2-[4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...)
Show SMILES OC1CNC=Nc2c1ncn2CCCCC(Cc1ccccc1C(F)(F)F)(C(O)=O)C(O)=O |c:4|
Show InChI InChI=1S/C21H23F3N4O5/c22-21(23,24)14-6-2-1-5-13(14)9-20(18(30)31,19(32)33)7-3-4-8-28-12-27-16-15(29)10-25-11-26-17(16)28/h1-2,5-6,11-12,15,29H,3-4,7-10H2,(H,25,26)(H,30,31)(H,32,33)
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41n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine heart or recombinant human E-type AMPDA


J Med Chem 43: 1519-24 (2000)


BindingDB Entry DOI: 10.7270/Q2PK0FC0
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50087365
PNG
(3-[3-(2-methyl-5-{[(methylamino)oxy]carbonyl}pheny...)
Show SMILES CNOC(=O)c1ccc(C)c(CCCn2cnc3C(O)CNC=Nc23)c1 |c:22|
Show InChI InChI=1S/C18H23N5O3/c1-12-5-6-14(18(25)26-19-2)8-13(12)4-3-7-23-11-22-16-15(24)9-20-10-21-17(16)23/h5-6,8,10-11,15,19,24H,3-4,7,9H2,1-2H3,(H,20,21)
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50n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against calf intestinal Adenosine deaminase (ADA)


J Med Chem 43: 1508-18 (2000)


BindingDB Entry DOI: 10.7270/Q2TB1645
More data for this
Ligand-Target Pair
AMP deaminase 3 (hAMPD3)


(Homo sapiens (Human))
BDBM50096164
PNG
(1,3-Dichloro-4-[2-(8-hydroxy-7,8-dihydro-6H-imidaz...)
Show SMILES OC1CNC=Nc2c1ncn2CCc1c(Cl)c(C(O)=O)c(Cl)c2CCCCc12 |c:4|
Show InChI InChI=1S/C19H20Cl2N4O3/c20-15-11-4-2-1-3-10(11)12(16(21)14(15)19(27)28)5-6-25-9-24-17-13(26)7-22-8-23-18(17)25/h8-9,13,26H,1-7H2,(H,22,23)(H,27,28)
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50n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human E-type adenylate deaminase


J Med Chem 44: 613-8 (2001)


BindingDB Entry DOI: 10.7270/Q2BZ659R
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50087364
PNG
(2-[3-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...)
Show SMILES COC(=O)c1ccc(C)cc1CCCn1cnc2C(O)CNC=Nc12 |c:23|
Show InChI InChI=1S/C18H22N4O3/c1-12-5-6-14(18(24)25-2)13(8-12)4-3-7-22-11-21-16-15(23)9-19-10-20-17(16)22/h5-6,8,10-11,15,23H,3-4,7,9H2,1-2H3,(H,19,20)
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60n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against calf intestinal Adenosine deaminase (ADA)


J Med Chem 43: 1508-18 (2000)


BindingDB Entry DOI: 10.7270/Q2TB1645
More data for this
Ligand-Target Pair
Glucose regulated protein 94kDa (Grp94)


(Homo sapiens (Human))
BDBM50401333
PNG
(CHEMBL1230584)
Show SMILES COc1c(C)cnc(Cn2cc(C#CCC(C)(C)O)c3c(Cl)nc(N)nc23)c1C
Show InChI InChI=1S/C21H24ClN5O2/c1-12-9-24-15(13(2)17(12)29-5)11-27-10-14(7-6-8-21(3,4)28)16-18(22)25-20(23)26-19(16)27/h9-10,28H,8,11H2,1-5H3,(H2,23,25,26)
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61n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Binding affinity at Grp94 incubated for 16 hrs by fluorescence polarization competition assay


J Med Chem 55: 7786-95 (2012)


Article DOI: 10.1021/jm300810x
BindingDB Entry DOI: 10.7270/Q2V125Z3
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50087355
PNG
(3-[3-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...)
Show SMILES COC(=O)c1ccc(C)c(CCCn2cnc3C(O)CNC=Nc23)c1 |c:21|
Show InChI InChI=1S/C18H22N4O3/c1-12-5-6-14(18(24)25-2)8-13(12)4-3-7-22-11-21-16-15(23)9-19-10-20-17(16)22/h5-6,8,10-11,15,23H,3-4,7,9H2,1-2H3,(H,19,20)
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80n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against calf intestinal Adenosine deaminase (ADA)


J Med Chem 43: 1508-18 (2000)


BindingDB Entry DOI: 10.7270/Q2TB1645
More data for this
Ligand-Target Pair
AMP deaminase 3 (hAMPD3)


(Homo sapiens (Human))
BDBM50096171
PNG
(4-[2-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...)
Show SMILES CC(C)Oc1c2CCCCc2c(CCn2cnc3C(O)CNC=Nc23)cc1C(O)=O |c:23|
Show InChI InChI=1S/C22H28N4O4/c1-13(2)30-20-16-6-4-3-5-15(16)14(9-17(20)22(28)29)7-8-26-12-25-19-18(27)10-23-11-24-21(19)26/h9,11-13,18,27H,3-8,10H2,1-2H3,(H,23,24)(H,28,29)
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90n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human E-type adenylate deaminase


J Med Chem 44: 613-8 (2001)


BindingDB Entry DOI: 10.7270/Q2BZ659R
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50087346
PNG
(3-[3-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...)
Show SMILES COC(=O)c1ccc(OC)c(CCCn2cnc3C(O)CNC=Nc23)c1 |c:22|
Show InChI InChI=1S/C18H22N4O4/c1-25-15-6-5-13(18(24)26-2)8-12(15)4-3-7-22-11-21-16-14(23)9-19-10-20-17(16)22/h5-6,8,10-11,14,23H,3-4,7,9H2,1-2H3,(H,19,20)
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130n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against calf intestinal Adenosine deaminase (ADA)


J Med Chem 43: 1508-18 (2000)


BindingDB Entry DOI: 10.7270/Q2TB1645
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50087373
PNG
(3-[3-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...)
Show SMILES COC(=O)c1cccc(CCCn2cnc3C(O)CNC=Nc23)c1 |c:20|
Show InChI InChI=1S/C17H20N4O3/c1-24-17(23)13-6-2-4-12(8-13)5-3-7-21-11-20-15-14(22)9-18-10-19-16(15)21/h2,4,6,8,10-11,14,22H,3,5,7,9H2,1H3,(H,18,19)
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160n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against calf intestinal Adenosine deaminase (ADA)


J Med Chem 43: 1508-18 (2000)


BindingDB Entry DOI: 10.7270/Q2TB1645
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50087351
PNG
(2-[3-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...)
Show SMILES COC(=O)c1ccccc1CCCn1cnc2C(O)CNC=Nc12 |c:22|
Show InChI InChI=1S/C17H20N4O3/c1-24-17(23)13-7-3-2-5-12(13)6-4-8-21-11-20-15-14(22)9-18-10-19-16(15)21/h2-3,5,7,10-11,14,22H,4,6,8-9H2,1H3,(H,18,19)
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160n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against calf intestinal Adenosine deaminase (ADA)


J Med Chem 43: 1508-18 (2000)


BindingDB Entry DOI: 10.7270/Q2TB1645
More data for this
Ligand-Target Pair
AMP deaminase 3 (hAMPD3)


(Homo sapiens (Human))
BDBM50087411
PNG
(2-Benzyl-2-[4-(8-hydroxy-7,8-dihydro-6H-imidazo[4,...)
Show SMILES OC1CNC=Nc2c1ncn2CCCCC(Cc1ccccc1)(C(O)=O)C(O)=O |c:4|
Show InChI InChI=1S/C20H24N4O5/c25-15-11-21-12-22-17-16(15)23-13-24(17)9-5-4-8-20(18(26)27,19(28)29)10-14-6-2-1-3-7-14/h1-3,6-7,12-13,15,25H,4-5,8-11H2,(H,21,22)(H,26,27)(H,28,29)
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170n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine heart or recombinant human E-type AMPDA


J Med Chem 43: 1519-24 (2000)


BindingDB Entry DOI: 10.7270/Q2PK0FC0
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50087358
PNG
(1-[3-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...)
Show SMILES COC(=O)c1ccc2ccccc2c1CCCn1cnc2C(O)CNC=Nc12 |c:27|
Show InChI InChI=1S/C21H22N4O3/c1-28-21(27)17-9-8-14-5-2-3-6-15(14)16(17)7-4-10-25-13-24-19-18(26)11-22-12-23-20(19)25/h2-3,5-6,8-9,12-13,18,26H,4,7,10-11H2,1H3,(H,22,23)
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180n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against calf intestinal Adenosine deaminase (ADA)


J Med Chem 43: 1508-18 (2000)


BindingDB Entry DOI: 10.7270/Q2TB1645
More data for this
Ligand-Target Pair
AMP deaminase 3 (hAMPD3)


(Homo sapiens (Human))
BDBM50096175
PNG
(4-[2-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...)
Show SMILES OC1CNC=Nc2c1ncn2CCc1cc(cc2c(cccc12)C(F)(F)F)C(O)=O |c:4|
Show InChI InChI=1S/C20H17F3N4O3/c21-20(22,23)15-3-1-2-13-11(6-12(19(29)30)7-14(13)15)4-5-27-10-26-17-16(28)8-24-9-25-18(17)27/h1-3,6-7,9-10,16,28H,4-5,8H2,(H,24,25)(H,29,30)
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220n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human E-type adenylate deaminase


J Med Chem 44: 613-8 (2001)


BindingDB Entry DOI: 10.7270/Q2BZ659R
More data for this
Ligand-Target Pair
AMP deaminase 3 (hAMPD3)


(Homo sapiens (Human))
BDBM50087408
PNG
(2-[4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...)
Show SMILES OC1CNC=Nc2c1ncn2CCCCC(Cc1ccccc1C(F)(F)F)(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1 |c:4|
Show InChI InChI=1S/C35H35F3N4O5/c36-35(37,38)28-16-8-7-15-27(28)19-34(32(44)46-21-25-11-3-1-4-12-25,33(45)47-22-26-13-5-2-6-14-26)17-9-10-18-42-24-41-30-29(43)20-39-23-40-31(30)42/h1-8,11-16,23-24,29,43H,9-10,17-22H2,(H,39,40)
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250n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine heart or recombinant human E-type AMPDA


J Med Chem 43: 1519-24 (2000)


BindingDB Entry DOI: 10.7270/Q2PK0FC0
More data for this
Ligand-Target Pair
Heat shock protein 75 kDa, mitochondrial


(Homo sapiens (Human))
BDBM50401333
PNG
(CHEMBL1230584)
Show SMILES COc1c(C)cnc(Cn2cc(C#CCC(C)(C)O)c3c(Cl)nc(N)nc23)c1C
Show InChI InChI=1S/C21H24ClN5O2/c1-12-9-24-15(13(2)17(12)29-5)11-27-10-14(7-6-8-21(3,4)28)16-18(22)25-20(23)26-19(16)27/h9-10,28H,8,11H2,1-5H3,(H2,23,25,26)
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255n/an/an/an/an/an/an/an/a



Biogen Idec Inc.

Curated by ChEMBL


Assay Description
Binding affinity at TRAP1 incubated for 16 hrs by fluorescence polarization competition assay


J Med Chem 55: 7786-95 (2012)


Article DOI: 10.1021/jm300810x
BindingDB Entry DOI: 10.7270/Q2V125Z3
More data for this
Ligand-Target Pair
AMP deaminase 3 (hAMPD3)


(Homo sapiens (Human))
BDBM50096168
PNG
(1-Benzyloxy-4-[2-(8-hydroxy-7,8-dihydro-6H-imidazo...)
Show SMILES CCOC(=O)c1cc(CCn2cnc3C(O)CNC=Nc23)c2CCCCc2c1OCc1ccccc1 |c:18|
Show InChI InChI=1S/C28H32N4O4/c1-2-35-28(34)23-14-20(12-13-32-18-31-25-24(33)15-29-17-30-27(25)32)21-10-6-7-11-22(21)26(23)36-16-19-8-4-3-5-9-19/h3-5,8-9,14,17-18,24,33H,2,6-7,10-13,15-16H2,1H3,(H,29,30)
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300n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human E-type adenylate deaminase


J Med Chem 44: 613-8 (2001)


BindingDB Entry DOI: 10.7270/Q2BZ659R
More data for this
Ligand-Target Pair
AMP deaminase 3 (hAMPD3)


(Homo sapiens (Human))
BDBM50096162
PNG
(1,3-Dichloro-4-[2-(8-hydroxy-7,8-dihydro-6H-imidaz...)
Show SMILES OC1CNC=Nc2c1ncn2CCc1c(Cl)c(C(=O)OCc2ccccc2)c(Cl)c2CCCCc12 |c:4|
Show InChI InChI=1S/C26H26Cl2N4O3/c27-22-18-9-5-4-8-17(18)19(10-11-32-15-31-24-20(33)12-29-14-30-25(24)32)23(28)21(22)26(34)35-13-16-6-2-1-3-7-16/h1-3,6-7,14-15,20,33H,4-5,8-13H2,(H,29,30)
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300n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human E-type adenylate deaminase


J Med Chem 44: 613-8 (2001)


BindingDB Entry DOI: 10.7270/Q2BZ659R
More data for this
Ligand-Target Pair
AMP deaminase 2


(Homo sapiens (Human))
BDBM50087295
PNG
(2-(2-Bromo-benzyl)-6-(8-hydroxy-7,8-dihydro-6H-imi...)
Show SMILES OC1CNC=Nc2c1ncn2CCCCC(Cc1ccccc1Br)C(O)=O |c:4|
Show InChI InChI=1S/C19H23BrN4O3/c20-15-7-2-1-5-13(15)9-14(19(26)27)6-3-4-8-24-12-23-17-16(25)10-21-11-22-18(17)24/h1-2,5,7,11-12,14,16,25H,3-4,6,8-10H2,(H,21,22)(H,26,27)
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300n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of porcine heart or human L-type Adenosine 5'-monophosphate deaminase (AMPDA)


J Med Chem 43: 1495-507 (2000)


BindingDB Entry DOI: 10.7270/Q2Z31XWJ
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50087381
PNG
(2-Fluoro-6-[3-(8-hydroxy-7,8-dihydro-6H-imidazo[4,...)
Show SMILES COC(=O)c1c(F)cccc1CCCn1cnc2C(O)CNC=Nc12 |c:23|
Show InChI InChI=1S/C17H19FN4O3/c1-25-17(24)14-11(4-2-6-12(14)18)5-3-7-22-10-21-15-13(23)8-19-9-20-16(15)22/h2,4,6,9-10,13,23H,3,5,7-8H2,1H3,(H,19,20)
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320n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against calf intestinal Adenosine deaminase (ADA)


J Med Chem 43: 1508-18 (2000)


BindingDB Entry DOI: 10.7270/Q2TB1645
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50087307
PNG
(3-Heptyl-3,6,7,8-tetrahydro-imidazo[4,5-d][1,3]dia...)
Show SMILES CCCCCCCn1cnc2C(O)CNC=Nc12 |c:15|
Show InChI InChI=1S/C13H22N4O/c1-2-3-4-5-6-7-17-10-16-12-11(18)8-14-9-15-13(12)17/h9-11,18H,2-8H2,1H3,(H,14,15)
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350n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of calf intestinal Adenosine deaminase (ADA)


J Med Chem 43: 1495-507 (2000)


BindingDB Entry DOI: 10.7270/Q2Z31XWJ
More data for this
Ligand-Target Pair
AMP deaminase 3 (hAMPD3)


(Homo sapiens (Human))
BDBM50087405
PNG
(2-[4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...)
Show SMILES OC1CNC=Nc2c1ncn2CCCCC(C(O)=O)C(=O)OCc1ccccc1 |c:4|
Show InChI InChI=1S/C20H24N4O5/c25-16-10-21-12-22-18-17(16)23-13-24(18)9-5-4-8-15(19(26)27)20(28)29-11-14-6-2-1-3-7-14/h1-3,6-7,12-13,15-16,25H,4-5,8-11H2,(H,21,22)(H,26,27)
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360n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine heart or recombinant human E-type AMPDA


J Med Chem 43: 1519-24 (2000)


BindingDB Entry DOI: 10.7270/Q2PK0FC0
More data for this
Ligand-Target Pair
AMP deaminase 3 (hAMPD3)


(Homo sapiens (Human))
BDBM50087414
PNG
(2-[4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...)
Show SMILES CCOC(=O)C(CCCCn1cnc2C(O)CNC=Nc12)(Cc1ccccc1C(F)(F)F)C(=O)OCC |c:18|
Show InChI InChI=1S/C25H31F3N4O5/c1-3-36-22(34)24(23(35)37-4-2,13-17-9-5-6-10-18(17)25(26,27)28)11-7-8-12-32-16-31-20-19(33)14-29-15-30-21(20)32/h5-6,9-10,15-16,19,33H,3-4,7-8,11-14H2,1-2H3,(H,29,30)
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360n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine heart or recombinant human E-type AMPDA


J Med Chem 43: 1519-24 (2000)


BindingDB Entry DOI: 10.7270/Q2PK0FC0
More data for this
Ligand-Target Pair
AMP deaminase 3 (hAMPD3)


(Homo sapiens (Human))
BDBM50087332
PNG
(2-Benzyl-6-(8-hydroxy-7,8-dihydro-6H-imidazo[4,5-d...)
Show SMILES OC1CNC=Nc2c1ncn2CCCCC(Cc1ccccc1)C(O)=O |c:4|
Show InChI InChI=1S/C19H24N4O3/c24-16-11-20-12-21-18-17(16)22-13-23(18)9-5-4-8-15(19(25)26)10-14-6-2-1-3-7-14/h1-3,6-7,12-13,15-16,24H,4-5,8-11H2,(H,20,21)(H,25,26)
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410n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human E-type adenylate deaminase


J Med Chem 44: 613-8 (2001)


BindingDB Entry DOI: 10.7270/Q2BZ659R
More data for this
Ligand-Target Pair
AMP deaminase 2


(Homo sapiens (Human))
BDBM50087332
PNG
(2-Benzyl-6-(8-hydroxy-7,8-dihydro-6H-imidazo[4,5-d...)
Show SMILES OC1CNC=Nc2c1ncn2CCCCC(Cc1ccccc1)C(O)=O |c:4|
Show InChI InChI=1S/C19H24N4O3/c24-16-11-20-12-21-18-17(16)22-13-23(18)9-5-4-8-15(19(25)26)10-14-6-2-1-3-7-14/h1-3,6-7,12-13,15-16,24H,4-5,8-11H2,(H,20,21)(H,25,26)
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410n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of porcine heart or human L-type Adenosine 5'-monophosphate deaminase (AMPDA)


J Med Chem 43: 1495-507 (2000)


BindingDB Entry DOI: 10.7270/Q2Z31XWJ
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50087317
PNG
(3-Octyl-3,6,7,8-tetrahydro-imidazo[4,5-d][1,3]diaz...)
Show SMILES CCCCCCCCn1cnc2C(O)CNC=Nc12 |c:16|
Show InChI InChI=1S/C14H24N4O/c1-2-3-4-5-6-7-8-18-11-17-13-12(19)9-15-10-16-14(13)18/h10-12,19H,2-9H2,1H3,(H,15,16)
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450n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of calf intestinal Adenosine deaminase (ADA)


J Med Chem 43: 1495-507 (2000)


BindingDB Entry DOI: 10.7270/Q2Z31XWJ
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50087312
PNG
(3-Hexyl-3,6,7,8-tetrahydro-imidazo[4,5-d][1,3]diaz...)
Show SMILES CCCCCCn1cnc2C(O)CNC=Nc12 |c:14|
Show InChI InChI=1S/C12H20N4O/c1-2-3-4-5-6-16-9-15-11-10(17)7-13-8-14-12(11)16/h8-10,17H,2-7H2,1H3,(H,13,14)
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480n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of calf intestinal Adenosine deaminase (ADA)


J Med Chem 43: 1495-507 (2000)


BindingDB Entry DOI: 10.7270/Q2Z31XWJ
More data for this
Ligand-Target Pair
AMP deaminase 3 (hAMPD3)


(Homo sapiens (Human))
BDBM50096157
PNG
(1,3-Dichloro-4-[2-(8-hydroxy-7,8-dihydro-6H-imidaz...)
Show SMILES CCOC(=O)c1c(Cl)c(CCn2cnc3C(O)CNC=Nc23)c2CCCCc2c1Cl |c:19|
Show InChI InChI=1S/C21H24Cl2N4O3/c1-2-30-21(29)16-17(22)13-6-4-3-5-12(13)14(18(16)23)7-8-27-11-26-19-15(28)9-24-10-25-20(19)27/h10-11,15,28H,2-9H2,1H3,(H,24,25)
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500n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human E-type adenylate deaminase


J Med Chem 44: 613-8 (2001)


BindingDB Entry DOI: 10.7270/Q2BZ659R
More data for this
Ligand-Target Pair
AMP deaminase 3 (hAMPD3)


(Homo sapiens (Human))
BDBM50087377
PNG
(3-[2-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...)
Show SMILES OC1CNC=Nc2c1ncn2CCc1cccc(c1)C(O)=O |c:4|
Show InChI InChI=1S/C15H16N4O3/c20-12-7-16-8-17-14-13(12)18-9-19(14)5-4-10-2-1-3-11(6-10)15(21)22/h1-3,6,8-9,12,20H,4-5,7H2,(H,16,17)(H,21,22)
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500n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human E-type adenylate deaminase


J Med Chem 44: 613-8 (2001)


BindingDB Entry DOI: 10.7270/Q2BZ659R
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50096174
PNG
(1-Bromo-4-[2-(8-hydroxy-7,8-dihydro-6H-imidazo[4,5...)
Show SMILES CCOC(=O)c1cc(CCn2cnc3C(O)CNC=Nc23)c2CCCCc2c1Br |c:18|
Show InChI InChI=1S/C21H25BrN4O3/c1-2-29-21(28)16-9-13(14-5-3-4-6-15(14)18(16)22)7-8-26-12-25-19-17(27)10-23-11-24-20(19)26/h9,11-12,17,27H,2-8,10H2,1H3,(H,23,24)
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530n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of Calf intestinal adenosine deaminase (ADA).


J Med Chem 44: 613-8 (2001)


BindingDB Entry DOI: 10.7270/Q2BZ659R
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50096159
PNG
(4-[2-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...)
Show SMILES OC1CNC=Nc2c1ncn2CCc1cc(cc2CCCCc12)C(=O)OCc1ccccc1 |c:4|
Show InChI InChI=1S/C26H28N4O3/c31-23-14-27-16-28-25-24(23)29-17-30(25)11-10-20-13-21(12-19-8-4-5-9-22(19)20)26(32)33-15-18-6-2-1-3-7-18/h1-3,6-7,12-13,16-17,23,31H,4-5,8-11,14-15H2,(H,27,28)
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720n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of Calf intestinal adenosine deaminase (ADA).


J Med Chem 44: 613-8 (2001)


BindingDB Entry DOI: 10.7270/Q2BZ659R
More data for this
Ligand-Target Pair
AMP deaminase 2


(Homo sapiens (Human))
BDBM50087328
PNG
(2-(3-Bromo-benzyl)-6-(8-hydroxy-7,8-dihydro-6H-imi...)
Show SMILES OC1CNC=Nc2c1ncn2CCCCC(Cc1cccc(Br)c1)C(O)=O |c:4|
Show InChI InChI=1S/C19H23BrN4O3/c20-15-6-3-4-13(9-15)8-14(19(26)27)5-1-2-7-24-12-23-17-16(25)10-21-11-22-18(17)24/h3-4,6,9,11-12,14,16,25H,1-2,5,7-8,10H2,(H,21,22)(H,26,27)
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790n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of porcine heart or human L-type Adenosine 5'-monophosphate deaminase (AMPDA)


J Med Chem 43: 1495-507 (2000)


BindingDB Entry DOI: 10.7270/Q2Z31XWJ
More data for this
Ligand-Target Pair
AMP deaminase 2


(Homo sapiens (Human))
BDBM50087304
PNG
(2-(3-Bromo-benzyl)-6-(8-hydroxy-7,8-dihydro-6H-imi...)
Show SMILES CC(CCCCn1cnc2C(O)CNC=Nc12)(Cc1cccc(Br)c1)C(O)=O |c:14|
Show InChI InChI=1S/C20H25BrN4O3/c1-20(19(27)28,10-14-5-4-6-15(21)9-14)7-2-3-8-25-13-24-17-16(26)11-22-12-23-18(17)25/h4-6,9,12-13,16,26H,2-3,7-8,10-11H2,1H3,(H,22,23)(H,27,28)
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800n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of porcine heart or human L-type Adenosine 5'-monophosphate deaminase (AMPDA)


J Med Chem 43: 1495-507 (2000)


BindingDB Entry DOI: 10.7270/Q2Z31XWJ
More data for this
Ligand-Target Pair
AMP deaminase 2


(Homo sapiens (Human))
BDBM50087304
PNG
(2-(3-Bromo-benzyl)-6-(8-hydroxy-7,8-dihydro-6H-imi...)
Show SMILES CC(CCCCn1cnc2C(O)CNC=Nc12)(Cc1cccc(Br)c1)C(O)=O |c:14|
Show InChI InChI=1S/C20H25BrN4O3/c1-20(19(27)28,10-14-5-4-6-15(21)9-14)7-2-3-8-25-13-24-17-16(26)11-22-12-23-18(17)25/h4-6,9,12-13,16,26H,2-3,7-8,10-11H2,1H3,(H,22,23)(H,27,28)
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800n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of porcine heart or human L-type Adenosine 5'-monophosphate deaminase (AMPDA)


J Med Chem 43: 1495-507 (2000)


BindingDB Entry DOI: 10.7270/Q2Z31XWJ
More data for this
Ligand-Target Pair
AMP deaminase 2


(Homo sapiens (Human))
BDBM50087331
PNG
(6-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]dia...)
Show SMILES CC(C)CC(CCCCn1cnc2C(O)CNC=Nc12)(CC(C)C)C(O)=O |c:17|
Show InChI InChI=1S/C20H34N4O3/c1-14(2)9-20(19(26)27,10-15(3)4)7-5-6-8-24-13-23-17-16(25)11-21-12-22-18(17)24/h12-16,25H,5-11H2,1-4H3,(H,21,22)(H,26,27)
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860n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of porcine heart or human L-type Adenosine 5'-monophosphate deaminase (AMPDA)


J Med Chem 43: 1495-507 (2000)


BindingDB Entry DOI: 10.7270/Q2Z31XWJ
More data for this
Ligand-Target Pair
AMP deaminase 3 (hAMPD3)


(Homo sapiens (Human))
BDBM50087404
PNG
(2-[4-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]...)
Show SMILES CC(CCCCn1cnc2C(O)CNC=Nc12)(C(O)=O)C(=O)OCc1ccccc1 |c:14|
Show InChI InChI=1S/C21H26N4O5/c1-21(19(27)28,20(29)30-12-15-7-3-2-4-8-15)9-5-6-10-25-14-24-17-16(26)11-22-13-23-18(17)25/h2-4,7-8,13-14,16,26H,5-6,9-12H2,1H3,(H,22,23)(H,27,28)
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900n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine heart or recombinant human E-type AMPDA


J Med Chem 43: 1519-24 (2000)


BindingDB Entry DOI: 10.7270/Q2PK0FC0
More data for this
Ligand-Target Pair
AMP deaminase 2


(Homo sapiens (Human))
BDBM50087291
PNG
(6-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]dia...)
Show SMILES OC1CNC=Nc2c1ncn2CCCCC(C(O)=O)(c1ccccc1)c1ccccc1 |c:4|
Show InChI InChI=1S/C24H26N4O3/c29-20-15-25-16-26-22-21(20)27-17-28(22)14-8-7-13-24(23(30)31,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,16-17,20,29H,7-8,13-15H2,(H,25,26)(H,30,31)
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920n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of porcine heart or human L-type Adenosine 5'-monophosphate deaminase (AMPDA)


J Med Chem 43: 1495-507 (2000)


BindingDB Entry DOI: 10.7270/Q2Z31XWJ
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50087311
PNG
(8-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]dia...)
Show SMILES COC(=O)CCCCCCCn1cnc2C(O)CNC=Nc12 |c:19|
Show InChI InChI=1S/C15H24N4O3/c1-22-13(21)7-5-3-2-4-6-8-19-11-18-14-12(20)9-16-10-17-15(14)19/h10-12,20H,2-9H2,1H3,(H,16,17)
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950n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of calf intestinal Adenosine deaminase (ADA)


J Med Chem 43: 1495-507 (2000)


BindingDB Entry DOI: 10.7270/Q2Z31XWJ
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50087320
PNG
(7-(8-Hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]dia...)
Show SMILES CCOC(=O)CCCCCCn1cnc2C(O)CNC=Nc12 |c:19|
Show InChI InChI=1S/C15H24N4O3/c1-2-22-13(21)7-5-3-4-6-8-19-11-18-14-12(20)9-16-10-17-15(14)19/h10-12,20H,2-9H2,1H3,(H,16,17)
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960n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of calf intestinal Adenosine deaminase (ADA)


J Med Chem 43: 1495-507 (2000)


BindingDB Entry DOI: 10.7270/Q2Z31XWJ
More data for this
Ligand-Target Pair
AMP deaminase 3 (hAMPD3)


(Homo sapiens (Human))
BDBM50096177
PNG
(6-Bromo-4-[2-(8-hydroxy-7,8-dihydro-6H-imidazo[4,5...)
Show SMILES OC1CNC=Nc2c1ncn2CCc1cc(cc2ccc(Br)cc12)C(O)=O |c:4|
Show InChI InChI=1S/C19H17BrN4O3/c20-14-2-1-11-5-13(19(26)27)6-12(15(11)7-14)3-4-24-10-23-17-16(25)8-21-9-22-18(17)24/h1-2,5-7,9-10,16,25H,3-4,8H2,(H,21,22)(H,26,27)
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960n/an/an/an/an/an/an/an/a



Metabasis Therapeutics Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human E-type adenylate deaminase


J Med Chem 44: 613-8 (2001)


BindingDB Entry DOI: 10.7270/Q2BZ659R
More data for this
Ligand-Target Pair
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