Compile Data Set for Download or QSAR
Found 747 Enz. Inhib. hit(s) with Target = 'Adenosine deaminase'
TargetAdenosine deaminase(Homo sapiens (Human))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50367032(COFORMYCIN)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2[C@H](O)CNC=Nc12
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
Affinity DataKi:  0.000100nMAssay Description:Inhibition of adenosine deaminaseMore data for this Ligand-Target Pair
TargetAdenosine deaminase(Homo sapiens (Human))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM22925((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
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
Affinity DataKi:  0.000100nMAssay Description:Inhibition of adenosine deaminaseMore data for this Ligand-Target Pair
TargetAdenosine deaminase(Bos taurus (bovine))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM22925((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
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
Affinity DataKi:  0.00100nMAssay Description:Binding affinity towards calf spleen adenosine deaminase was determinedMore data for this Ligand-Target Pair
TargetAdenosine deaminase(Bos taurus (bovine))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM22925((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
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
Affinity DataKi:  0.00100nMAssay Description:Compound was tested for the inhibition of adenosine deaminase from calf intestine; Range of 0.01-0.001 nMMore data for this Ligand-Target Pair
TargetAdenosine deaminase(Homo sapiens (Human))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50378885(CHEMBL1651378)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2[C@@H](O)C=NC=Nc12
Show InChI InChI=1S/C11H14N4O4/c16-3-8-6(17)1-9(19-8)15-5-14-10-7(18)2-12-4-13-11(10)15/h2,4-9,16-18H,1,3H2/t6-,7-,8+,9+/m0/s1
Affinity DataKi:  0.00250nMAssay Description:Inhibition of adenosine deaminaseMore data for this Ligand-Target Pair
TargetAdenosine deaminase(Homo sapiens (Human))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM22925((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
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
Affinity DataKi:  0.00250nMAssay Description:The compound was tested in vitro for inhibition of human erythrocytic adenosine deaminase.Checked by AuthorMore data for this Ligand-Target Pair
TargetAdenosine deaminase(Bos taurus (bovine))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM22925((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
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
Affinity DataKi:  0.00250nMAssay Description:Binding affinity (Ki) at calf intestinal adenosine deaminase.Checked by AuthorMore data for this Ligand-Target Pair
TargetAdenosine deaminase(Homo sapiens (Human))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50407749(CHEMBL2112110)
Show SMILES OC[C@@H]1O[C@@H](C[C@H]1O)n1cnc2[C@H](O)CCC=Nc12
Show InChI InChI=1S/C12H17N3O4/c16-5-9-8(18)4-10(19-9)15-6-14-11-7(17)2-1-3-13-12(11)15/h3,6-10,16-18H,1-2,4-5H2/t7-,8-,9+,10+/m1/s1
Affinity DataKi:  0.00250nMAssay Description:Binding affinity towards Adenosine deaminaseMore data for this Ligand-Target Pair
TargetAdenosine deaminase(Bos taurus (bovine))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50367032(COFORMYCIN)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2[C@H](O)CNC=Nc12
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
Affinity DataKi:  0.0100nMAssay Description:Binding affinity (Ki) at calf intestinal adenosine deaminase.Checked by AuthorMore data for this Ligand-Target Pair
TargetAdenosine deaminase(Homo sapiens (Human))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50367032(COFORMYCIN)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2[C@H](O)CNC=Nc12
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
Affinity DataKi:  0.0100nMAssay Description:The compound was tested in vitro for inhibition of human erythrocytic adenosine deaminaseChecked by AuthorMore data for this Ligand-Target Pair
TargetAdenosine deaminase(Bos taurus (bovine))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM22925((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
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
Affinity DataKi:  0.0100nMAssay Description:Binding affinity against Adenosine deaminase from calf intestinal mucosa was determinedMore data for this Ligand-Target Pair
TargetAdenosine deaminase(Homo sapiens (Human))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50378886(CHEMBL1651377)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2[C@@H](O)C=NC=Nc12
Show InChI InChI=1S/C11H14N4O5/c16-2-6-8(18)9(19)11(20-6)15-4-14-7-5(17)1-12-3-13-10(7)15/h1,3-6,8-9,11,16-19H,2H2/t5-,6+,8+,9+,11+/m0/s1
Affinity DataKi:  0.0100nMAssay Description:Inhibition of adenosine deaminaseMore data for this Ligand-Target Pair
TargetAdenosine deaminase(Bos taurus (bovine))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50367032(COFORMYCIN)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2[C@H](O)CNC=Nc12
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
Affinity DataKi:  0.0100nMAssay Description:Binding affinity towards calf spleen adenosine deaminase was determinedMore data for this Ligand-Target Pair
TargetAdenosine deaminase(Homo sapiens (Human))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50369126(CONFORMYCIN)
Show SMILES OC[C@@H]1OC([C@@H](O)[C@H]1O)n1cnc2[C@H](O)CCC=Nc12
Show InChI InChI=1S/C12H17N3O5/c16-4-7-9(18)10(19)12(20-7)15-5-14-8-6(17)2-1-3-13-11(8)15/h3,5-7,9-10,12,16-19H,1-2,4H2/t6-,7+,9+,10+,12?/m1/s1
Affinity DataKi:  0.0100nMAssay Description:Binding affinity towards Adenosine deaminaseMore data for this Ligand-Target Pair
TargetAdenosine deaminase(Homo sapiens (Human))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM22925((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
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
Affinity DataKi:  0.0260nMAssay Description:Inhibition of human erythrocytes ADA assessed as equilibrium dissociation constant by measuring reduction in formation of inosine using adenosine as ...More data for this Ligand-Target Pair
TargetAdenosine deaminase(Homo sapiens (Human))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM22925((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
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
Affinity DataKi:  0.0330nM ΔG°:  -59.2kJ/molepH: 7.4 T: 2°CAssay Description:The reaction velocity was measured by change in absorbance at 265nm (A265) resulting from the deamination of adenosine. The reaction was started by a...More data for this Ligand-Target Pair
TargetAdenosine deaminase(Plasmodium falciparum)
Universit£ Montpellier

Curated by ChEMBL
LigandPNGBDBM22925((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
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
Affinity DataKi:  0.0380nMAssay Description:Inhibition of Plasmodium falciparum N-terminal thrombin cleavable His6-tagged ADA expressed in Escherichia coli BL21 assessed as equilibrium dissocia...More data for this Ligand-Target Pair
TargetAdenosine deaminase(Homo sapiens (Human))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50370598(CHEMBL1651379)
Show SMILES CCCCCCCC[C@@H](O)Cn1cc2c(N)ncnc2n1
Show InChI InChI=1S/C15H25N5O/c1-2-3-4-5-6-7-8-12(21)9-20-10-13-14(16)17-11-18-15(13)19-20/h10-12,21H,2-9H2,1H3,(H2,16,17,18,19)/t12-/m1/s1
Affinity DataKi:  0.0530nMAssay Description:Inhibition of adenosine deaminaseMore data for this Ligand-Target Pair
TargetAdenosine deaminase(Bos taurus (bovine))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50370598(CHEMBL1651379)
Show SMILES CCCCCCCC[C@@H](O)Cn1cc2c(N)ncnc2n1
Show InChI InChI=1S/C15H25N5O/c1-2-3-4-5-6-7-8-12(21)9-20-10-13-14(16)17-11-18-15(13)19-20/h10-12,21H,2-9H2,1H3,(H2,16,17,18,19)/t12-/m1/s1
Affinity DataKi:  0.0530nMAssay Description:Inhibitory constant against bovine spleen Adenosine deaminaseMore data for this Ligand-Target Pair
TargetAdenosine deaminase(Plasmodium falciparum)
Universit£ Montpellier

Curated by ChEMBL
LigandPNGBDBM50367032(COFORMYCIN)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2[C@H](O)CNC=Nc12
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
Affinity DataKi:  0.0800nMAssay Description:Inhibition of Plasmodium falciparum N-terminal thrombin cleavable His6-tagged ADA expressed in Escherichia coli BL21 assessed as equilibrium dissocia...More data for this Ligand-Target Pair
TargetAdenosine deaminase(Homo sapiens (Human))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM22925((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
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
Affinity DataKi:  0.100nMAssay Description:Compound was evaluated for the inhibition of adenosine deaminaseMore data for this Ligand-Target Pair
TargetAdenosine deaminase(Homo sapiens (Human))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50367032(COFORMYCIN)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2[C@H](O)CNC=Nc12
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
Affinity DataKi:  0.100nMAssay Description:Compound was evaluated for the inhibition of adenosine deaminaseMore data for this Ligand-Target Pair
TargetAdenosine deaminase(Homo sapiens (Human))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50367032(COFORMYCIN)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2[C@H](O)CNC=Nc12
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
Affinity DataKi:  0.110nMAssay Description:Inhibition of human erythrocytes ADA assessed as equilibrium dissociation constant by measuring reduction in formation of inosine using adenosine as ...More data for this Ligand-Target Pair
TargetAdenosine deaminase(Bos taurus (bovine))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50171394(2-Decyl-2H-pyrazolo[3,4-d]pyrimidin-4-ylamine | CH...)
Show SMILES CCCCCCCCCCn1cc2c(N)ncnc2n1
Show InChI InChI=1S/C15H25N5/c1-2-3-4-5-6-7-8-9-10-20-11-13-14(16)17-12-18-15(13)19-20/h11-12H,2-10H2,1H3,(H2,16,17,18,19)
Affinity DataKi:  0.130nMAssay Description:Inhibitory constant against bovine spleen Adenosine deaminaseMore data for this Ligand-Target Pair
TargetAdenosine deaminase(Bos taurus (bovine))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50171396(1-((R)-4-Amino-pyrazolo[3,4-d]pyrimidin-2-yl)-deca...)
Show SMILES CCCCCCCCC(O)Cn1cc2c(N)ncnc2n1
Show InChI InChI=1S/C15H25N5O/c1-2-3-4-5-6-7-8-12(21)9-20-10-13-14(16)17-11-18-15(13)19-20/h10-12,21H,2-9H2,1H3,(H2,16,17,18,19)
Affinity DataKi:  0.280nMAssay Description:Inhibitory constant against bovine spleen Adenosine deaminaseMore data for this Ligand-Target Pair
TargetAdenosine deaminase(Homo sapiens (Human))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50034908((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
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
Affinity DataKi:  0.400nMAssay Description:Compound was evaluated for the inhibition of adenosine deaminaseMore data for this Ligand-Target Pair
TargetAdenosine deaminase(Plasmodium falciparum)
Universit£ Montpellier

Curated by ChEMBL
LigandPNGBDBM50519494(CHEMBL1234234)
Show SMILES CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2[C@H](O)CNC=Nc12
Show InChI InChI=1S/C12H18N4O4S/c1-21-3-7-9(18)10(19)12(20-7)16-5-15-8-6(17)2-13-4-14-11(8)16/h4-7,9-10,12,17-19H,2-3H2,1H3,(H,13,14)/t6-,7-,9-,10-,12-/m1/s1
Affinity DataKi:  0.430nMAssay Description:Inhibition of Plasmodium falciparum N-terminal thrombin cleavable His6-tagged ADA expressed in Escherichia coli BL21 assessed as equilibrium dissocia...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetAdenosine deaminase(Bos taurus (bovine))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50171395(2-Undecyl-2H-pyrazolo[3,4-d]pyrimidin-4-ylamine | ...)
Show SMILES CCCCCCCCCCCn1cc2c(N)ncnc2n1
Show InChI InChI=1S/C16H27N5/c1-2-3-4-5-6-7-8-9-10-11-21-12-14-15(17)18-13-19-16(14)20-21/h12-13H,2-11H2,1H3,(H2,17,18,19,20)
Affinity DataKi:  0.470nMAssay Description:Inhibitory constant against bovine spleen Adenosine deaminaseMore data for this Ligand-Target Pair
TargetAdenosine deaminase(Homo sapiens (Human))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM22925((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
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
Affinity DataKi:  0.5nMAssay Description:Inhibition of human erythrocytes ADA assessed as reduction in formation of inosine using adenosine as substrateMore data for this Ligand-Target Pair
TargetAdenosine deaminase(Bos taurus (bovine))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50070641((2S,3R)-3-(6-Amino-purin-9-yl)-6-o-tolyl-hexan-2-o...)
Show SMILES C[C@H](O)[C@@H](CCCc1ccccc1C)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C18H23N5O/c1-12-6-3-4-7-14(12)8-5-9-15(13(2)24)23-11-22-16-17(19)20-10-21-18(16)23/h3-4,6-7,10-11,13,15,24H,5,8-9H2,1-2H3,(H2,19,20,21)/t13-,15+/m0/s1
Affinity DataKi:  0.510nMAssay Description:Inhibition of Adenosine deaminase (ADA) of calf intestineMore data for this Ligand-Target Pair
TargetAdenosine deaminase(Bos taurus (bovine))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50070641((2S,3R)-3-(6-Amino-purin-9-yl)-6-o-tolyl-hexan-2-o...)
Show SMILES C[C@H](O)[C@@H](CCCc1ccccc1C)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C18H23N5O/c1-12-6-3-4-7-14(12)8-5-9-15(13(2)24)23-11-22-16-17(19)20-10-21-18(16)23/h3-4,6-7,10-11,13,15,24H,5,8-9H2,1-2H3,(H2,19,20,21)/t13-,15+/m0/s1
Affinity DataKi:  0.510nMAssay Description:Compound was evaluated for inhibition of calf intestinal mucosa adenosine deaminase (ADA)More data for this Ligand-Target Pair
TargetAdenosine deaminase(Bos taurus (bovine))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50451174(CHEMBL4202457)
Show SMILES C[C@H](O)[C@@H](CCc1cccc(Br)c1)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C16H18BrN5O/c1-10(23)13(6-5-11-3-2-4-12(17)7-11)22-9-21-14-15(18)19-8-20-16(14)22/h2-4,7-10,13,23H,5-6H2,1H3,(H2,18,19,20)/t10-,13+/m0/s1
Affinity DataKi:  0.600nMAssay Description:Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine additionMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAdenosine deaminase(Plasmodium falciparum)
Universit£ Montpellier

Curated by ChEMBL
LigandPNGBDBM50367032(COFORMYCIN)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2[C@H](O)CNC=Nc12
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
Affinity DataKi:  0.680nMAssay Description:Inhibition of Plasmodium falciparum N-terminal thrombin cleavable His6-tagged ADA expressed in Escherichia coli BL21 assessed as reduction in formati...More data for this Ligand-Target Pair
TargetAdenosine deaminase(Bos taurus (bovine))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50070646((2S,3R)-3-(6-Amino-purin-9-yl)-7-phenyl-heptan-2-o...)
Show SMILES C[C@H](O)[C@@H](CCCCc1ccccc1)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C18H23N5O/c1-13(24)15(10-6-5-9-14-7-3-2-4-8-14)23-12-22-16-17(19)20-11-21-18(16)23/h2-4,7-8,11-13,15,24H,5-6,9-10H2,1H3,(H2,19,20,21)/t13-,15+/m0/s1
Affinity DataKi:  0.760nMAssay Description:Inhibition of Adenosine deaminase (ADA) of calf intestineMore data for this Ligand-Target Pair
TargetAdenosine deaminase(Bos taurus (bovine))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50070646((2S,3R)-3-(6-Amino-purin-9-yl)-7-phenyl-heptan-2-o...)
Show SMILES C[C@H](O)[C@@H](CCCCc1ccccc1)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C18H23N5O/c1-13(24)15(10-6-5-9-14-7-3-2-4-8-14)23-12-22-16-17(19)20-11-21-18(16)23/h2-4,7-8,11-13,15,24H,5-6,9-10H2,1H3,(H2,19,20,21)/t13-,15+/m0/s1
Affinity DataKi:  0.760nMAssay Description:Compound was evaluated for inhibition of calf intestinal mucosa adenosine deaminase (ADA)More data for this Ligand-Target Pair
TargetAdenosine deaminase(Bos taurus (bovine))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM28393((+)-EHNA | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...)
Show SMILES CCCCCC[C@H]([C@H](C)O)n1cnc2c(N)ncnc12
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+/m0/s1
Affinity DataKi:  0.820nMAssay Description:Tested for binding affinity against calf intestinal Adenosine Deaminase (ADA)More data for this Ligand-Target Pair
TargetAdenosine deaminase(Bos taurus (bovine))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50070642((2S,3R)-3-(6-Amino-purin-9-yl)-6-phenyl-hexan-2-ol...)
Show SMILES C[C@H](O)[C@@H](CCCc1ccccc1)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C17H21N5O/c1-12(23)14(9-5-8-13-6-3-2-4-7-13)22-11-21-15-16(18)19-10-20-17(15)22/h2-4,6-7,10-12,14,23H,5,8-9H2,1H3,(H2,18,19,20)/t12-,14+/m0/s1
Affinity DataKi:  0.890nMAssay Description:Compound was evaluated for inhibition of calf intestinal mucosa adenosine deaminase (ADA)More data for this Ligand-Target Pair
TargetAdenosine deaminase(Bos taurus (bovine))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50070642((2S,3R)-3-(6-Amino-purin-9-yl)-6-phenyl-hexan-2-ol...)
Show SMILES C[C@H](O)[C@@H](CCCc1ccccc1)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C17H21N5O/c1-12(23)14(9-5-8-13-6-3-2-4-7-13)22-11-21-15-16(18)19-10-20-17(15)22/h2-4,6-7,10-12,14,23H,5,8-9H2,1H3,(H2,18,19,20)/t12-,14+/m0/s1
Affinity DataKi:  0.890nMAssay Description:Inhibition of Adenosine deaminase (ADA) of calf intestineMore data for this Ligand-Target Pair
TargetAdenosine deaminase(Bos taurus (bovine))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50070645((2S,3R)-3-(6-Amino-purin-9-yl)-8-phenyl-octan-2-ol...)
Show SMILES C[C@H](O)[C@@H](CCCCCc1ccccc1)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C19H25N5O/c1-14(25)16(11-7-3-6-10-15-8-4-2-5-9-15)24-13-23-17-18(20)21-12-22-19(17)24/h2,4-5,8-9,12-14,16,25H,3,6-7,10-11H2,1H3,(H2,20,21,22)/t14-,16+/m0/s1
Affinity DataKi:  0.950nMAssay Description:Inhibition of Adenosine deaminase (ADA) of calf intestineMore data for this Ligand-Target Pair
TargetAdenosine deaminase(Bos taurus (bovine))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50070645((2S,3R)-3-(6-Amino-purin-9-yl)-8-phenyl-octan-2-ol...)
Show SMILES C[C@H](O)[C@@H](CCCCCc1ccccc1)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C19H25N5O/c1-14(25)16(11-7-3-6-10-15-8-4-2-5-9-15)24-13-23-17-18(20)21-12-22-19(17)24/h2,4-5,8-9,12-14,16,25H,3,6-7,10-11H2,1H3,(H2,20,21,22)/t14-,16+/m0/s1
Affinity DataKi:  0.950nMAssay Description:Compound was evaluated for inhibition of calf intestinal mucosa adenosine deaminase (ADA)More data for this Ligand-Target Pair
TargetAdenosine deaminase(Bos taurus (bovine))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50410269(CHEMBL1181766)
Show SMILES CCCCCCC(O)Cn1cc2c(N)ncnc2n1
Show InChI InChI=1S/C13H21N5O/c1-2-3-4-5-6-10(19)7-18-8-11-12(14)15-9-16-13(11)17-18/h8-10,19H,2-7H2,1H3,(H2,14,15,16,17)
Affinity DataKi:  1nMAssay Description:Inhibitory constant against bovine spleen Adenosine deaminaseMore data for this Ligand-Target Pair
TargetAdenosine deaminase(Bos taurus (bovine))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50070643((2S,3R)-3-(6-Amino-purin-9-yl)-5-m-tolyl-pentan-2-...)
Show SMILES C[C@H](O)[C@@H](CCc1cccc(C)c1)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C17H21N5O/c1-11-4-3-5-13(8-11)6-7-14(12(2)23)22-10-21-15-16(18)19-9-20-17(15)22/h3-5,8-10,12,14,23H,6-7H2,1-2H3,(H2,18,19,20)/t12-,14+/m0/s1
Affinity DataKi:  1nMAssay Description:Compound was evaluated for inhibition of calf intestinal mucosa adenosine deaminase (ADA)More data for this Ligand-Target Pair
TargetAdenosine deaminase(Streptomyces antibioticus)
Wuhan University

LigandPNGBDBM223291(Pentostatin (PTN))
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2[C@H](O)CN=CNc12
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
Affinity DataKi:  1nM ΔG°:  -52.2kJ/molepH: 7.2 T: 2°CAssay Description:For the ADA activity assay, a reaction comprising 50 mM potassium phosphate buffer (pH 7.2), 0.1 mM Ara-A or adenosine, and 20 mg ADA was conducted a...More data for this Ligand-Target Pair
TargetAdenosine deaminase(Bos taurus (bovine))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50070643((2S,3R)-3-(6-Amino-purin-9-yl)-5-m-tolyl-pentan-2-...)
Show SMILES C[C@H](O)[C@@H](CCc1cccc(C)c1)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C17H21N5O/c1-11-4-3-5-13(8-11)6-7-14(12(2)23)22-10-21-15-16(18)19-9-20-17(15)22/h3-5,8-10,12,14,23H,6-7H2,1-2H3,(H2,18,19,20)/t12-,14+/m0/s1
Affinity DataKi:  1.02nMAssay Description:Inhibition of Adenosine deaminase (ADA) of calf intestineMore data for this Ligand-Target Pair
TargetAdenosine deaminase(Bos taurus (bovine))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM28393((+)-EHNA | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...)
Show SMILES CCCCCC[C@H]([C@H](C)O)n1cnc2c(N)ncnc12
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+/m0/s1
Affinity DataKi:  1.10nMAssay Description:Inhibitory activity against adenosine deaminase in calf intestinal mucosa.More data for this Ligand-Target Pair
TargetAdenosine deaminase(Bos taurus (bovine))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50451177(CHEMBL4210264)
Show SMILES C[C@H](O)[C@@H](CCc1cccc(c1)C(F)(F)F)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C17H18F3N5O/c1-10(26)13(25-9-24-14-15(21)22-8-23-16(14)25)6-5-11-3-2-4-12(7-11)17(18,19)20/h2-4,7-10,13,26H,5-6H2,1H3,(H2,21,22,23)/t10-,13+/m0/s1
Affinity DataKi:  1.10nMAssay Description:Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine additionMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAdenosine deaminase(Bos taurus (bovine))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM28393((+)-EHNA | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...)
Show SMILES CCCCCC[C@H]([C@H](C)O)n1cnc2c(N)ncnc12
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+/m0/s1
Affinity DataKi:  1.13nMAssay Description:Inhibition of Adenosine deaminase (ADA) of calf intestineMore data for this Ligand-Target Pair
TargetAdenosine deaminase(Bos taurus (bovine))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM28393((+)-EHNA | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...)
Show SMILES CCCCCC[C@H]([C@H](C)O)n1cnc2c(N)ncnc12
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+/m0/s1
Affinity DataKi:  1.14nMAssay Description:Inhibitory constant against bovine spleen Adenosine deaminaseMore data for this Ligand-Target Pair
TargetAdenosine deaminase(Bos taurus (bovine))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50034908((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
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
Affinity DataKi:  1.30nMAssay Description:Ability to inhibit calf intestinal adenosine deaminase (ADA); No dataChecked by AuthorMore data for this Ligand-Target Pair
TargetAdenosine deaminase(Bos taurus (bovine))
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50451169(CHEMBL4207346)
Show SMILES C[C@H](O)[C@@H](CCc1cccc(F)c1)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C16H18FN5O/c1-10(23)13(6-5-11-3-2-4-12(17)7-11)22-9-21-14-15(18)19-8-20-16(14)22/h2-4,7-10,13,23H,5-6H2,1H3,(H2,18,19,20)/t10-,13+/m0/s1
Affinity DataKi:  1.60nMAssay Description:Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine additionMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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