Found 543 hits of ki data for polymerid = 2222,2318,50002543 Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Adenosine deaminase
(Homo sapiens (Human)) | BDBM22925
((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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| 0.000100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50367032
(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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| KEGG PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 0.000100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
((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 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PubMed
| 0.00100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Camerino
Curated by ChEMBL
| Assay Description Compound was tested for the inhibition of adenosine deaminase from calf intestine; Range of 0.01-0.001 nM |
J Med Chem 37: 201-5 (1994)
BindingDB Entry DOI: 10.7270/Q2KD1ZHQ |
More data for this Ligand-Target Pair | |
Adenosine deaminase
(Bos taurus (bovine)) | BDBM22925
((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 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB Article PubMed
| 0.00100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
((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 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PubMed
| 0.00250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Rhode Island
Curated by ChEMBL
| Assay Description Binding affinity (Ki) at calf intestinal adenosine deaminase. |
J Med Chem 35: 4180-4 (1992)
Checked by Author BindingDB Entry DOI: 10.7270/Q2SQ9118 |
More data for this Ligand-Target Pair | |
Adenosine deaminase
(Homo sapiens (Human)) | BDBM50407749
(CHEMBL2112110)Show SMILES OC[C@@H]1O[C@@H](C[C@H]1O)n1cnc2[C@H](O)CCC=Nc12 |c:17| 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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.00250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Binding affinity towards Adenosine deaminase |
J Med Chem 39: 277-84 (1996)
Article DOI: 10.1021/jm9505674 BindingDB Entry DOI: 10.7270/Q2ZS2X6V |
More data for this Ligand-Target Pair | |
Adenosine deaminase
(Homo sapiens (Human)) | BDBM22925
((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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank KEGG MMDB PC cid PC sid PDB UniChem
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| DrugBank PubMed
| 0.00250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description The compound was tested in vitro for inhibition of human erythrocytic adenosine deaminase. |
J Med Chem 26: 1478-82 (1983)
Checked by Author BindingDB Entry DOI: 10.7270/Q29Z95GT |
More data for this Ligand-Target Pair | |
Adenosine deaminase
(Homo sapiens (Human)) | BDBM50378885
(CHEMBL1651378)Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2[C@@H](O)C=NC=Nc12 |r,c:15,17| 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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.00250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bar-Ilan University
Curated by ChEMBL
| Assay Description Inhibition of adenosine deaminase |
J Med Chem 54: 107-21 (2011)
Article DOI: 10.1021/jm101286g BindingDB Entry DOI: 10.7270/Q2K64K1Z |
More data for this Ligand-Target Pair | |
Adenosine deaminase
(Homo sapiens (Human)) | BDBM22925
((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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| 0.00300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113877 BindingDB Entry DOI: 10.7270/Q2PK0M78 |
More data for this Ligand-Target Pair | |
Adenosine deaminase
(Homo sapiens (Human)) | BDBM50369126
(CONFORMYCIN)Show SMILES OC[C@@H]1OC([C@@H](O)[C@H]1O)n1cnc2[C@H](O)CCC=Nc12 |r,c:18| 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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Binding affinity towards Adenosine deaminase |
J Med Chem 39: 277-84 (1996)
Article DOI: 10.1021/jm9505674 BindingDB Entry DOI: 10.7270/Q2ZS2X6V |
More data for this Ligand-Target Pair | |
Adenosine deaminase
(Bos taurus (bovine)) | BDBM50367032
(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 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| KEGG PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50367032
(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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| KEGG PC cid PC sid PDB UniChem
Similars
| PubMed
| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description The compound was tested in vitro for inhibition of human erythrocytic adenosine deaminase |
J Med Chem 26: 1478-82 (1983)
Checked by Author BindingDB Entry DOI: 10.7270/Q29Z95GT |
More data for this Ligand-Target Pair | |
Adenosine deaminase
(Homo sapiens (Human)) | BDBM50367032
(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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| KEGG PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113877 BindingDB Entry DOI: 10.7270/Q2PK0M78 |
More data for this Ligand-Target Pair | |
Adenosine deaminase
(Bos taurus (bovine)) | BDBM22925
((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 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PubMed
| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50378886
(CHEMBL1651377)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2[C@@H](O)C=NC=Nc12 |r,c:16,18| 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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bar-Ilan University
Curated by ChEMBL
| Assay Description Inhibition of adenosine deaminase |
J Med Chem 54: 107-21 (2011)
Article DOI: 10.1021/jm101286g BindingDB Entry DOI: 10.7270/Q2K64K1Z |
More data for this Ligand-Target Pair | |
Adenosine deaminase
(Homo sapiens (Human)) | BDBM22925
((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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| 0.0260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Montpellier
Curated by ChEMBL
| Assay Description Inhibition of human erythrocytes ADA assessed as equilibrium dissociation constant by measuring reduction in formation of inosine using adenosine as ... |
J Med Chem 62: 8365-8391 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00182 BindingDB Entry DOI: 10.7270/Q2T1571N |
More data for this Ligand-Target Pair | |
Adenosine deaminase
(Homo sapiens (Human)) | BDBM22925
((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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| 0.0330 | -59.2 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Fujisawa Pharmaceutical Co., Ltd.
| Assay 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... |
Bioorg Med Chem Lett 13: 1115-8 (2003)
Article DOI: 10.1016/S0960-894X(03)00026-X BindingDB Entry DOI: 10.7270/Q29Z936D |
More data for this Ligand-Target Pair | |
Adenosine deaminase
(Homo sapiens (Human)) | BDBM50370598
(CHEMBL1651379)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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0530 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bar-Ilan University
Curated by ChEMBL
| Assay Description Inhibition of adenosine deaminase |
J Med Chem 54: 107-21 (2011)
Article DOI: 10.1021/jm101286g BindingDB Entry DOI: 10.7270/Q2K64K1Z |
More data for this Ligand-Target Pair | |
Adenosine deaminase
(Bos taurus (bovine)) | BDBM50370598
(CHEMBL1651379)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 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.0530 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description Inhibitory constant against bovine spleen Adenosine deaminase |
J Med Chem 48: 5162-74 (2005)
Article DOI: 10.1021/jm050136d BindingDB Entry DOI: 10.7270/Q2542PCH |
More data for this Ligand-Target Pair | |
Adenosine deaminase
(Homo sapiens (Human)) | BDBM22925
((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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was evaluated for the inhibition of adenosine deaminase |
J Med Chem 24: 1383-5 (1982)
BindingDB Entry DOI: 10.7270/Q22N52T8 |
More data for this Ligand-Target Pair | |
Adenosine deaminase
(Homo sapiens (Human)) | BDBM50367032
(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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| KEGG PC cid PC sid PDB UniChem
Similars
| PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was evaluated for the inhibition of adenosine deaminase |
J Med Chem 24: 1383-5 (1982)
BindingDB Entry DOI: 10.7270/Q22N52T8 |
More data for this Ligand-Target Pair | |
Adenosine deaminase
(Homo sapiens (Human)) | BDBM50367032
(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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| KEGG PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 0.110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Montpellier
Curated by ChEMBL
| Assay Description Inhibition of human erythrocytes ADA assessed as equilibrium dissociation constant by measuring reduction in formation of inosine using adenosine as ... |
J Med Chem 62: 8365-8391 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00182 BindingDB Entry DOI: 10.7270/Q2T1571N |
More data for this Ligand-Target Pair | |
Adenosine deaminase
(Bos taurus (bovine)) | BDBM50171394
(2-Decyl-2H-pyrazolo[3,4-d]pyrimidin-4-ylamine | CH...)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) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description Inhibitory constant against bovine spleen Adenosine deaminase |
J Med Chem 48: 5162-74 (2005)
Article DOI: 10.1021/jm050136d BindingDB Entry DOI: 10.7270/Q2542PCH |
More data for this Ligand-Target Pair | |
Adenosine deaminase
(Bos taurus (bovine)) | BDBM50171396
(1-((R)-4-Amino-pyrazolo[3,4-d]pyrimidin-2-yl)-deca...)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) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description Inhibitory constant against bovine spleen Adenosine deaminase |
J Med Chem 48: 5162-74 (2005)
Article DOI: 10.1021/jm050136d BindingDB Entry DOI: 10.7270/Q2542PCH |
More data for this Ligand-Target Pair | |
Adenosine deaminase
(Bos taurus (bovine)) | BDBM50171395
(2-Undecyl-2H-pyrazolo[3,4-d]pyrimidin-4-ylamine | ...)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) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description Inhibitory constant against bovine spleen Adenosine deaminase |
J Med Chem 48: 5162-74 (2005)
Article DOI: 10.1021/jm050136d BindingDB Entry DOI: 10.7270/Q2542PCH |
More data for this Ligand-Target Pair | |
Adenosine deaminase
(Homo sapiens (Human)) | BDBM22925
((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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Montpellier
Curated by ChEMBL
| Assay Description Inhibition of human erythrocytes ADA assessed as reduction in formation of inosine using adenosine as substrate |
J Med Chem 62: 8365-8391 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00182 BindingDB Entry DOI: 10.7270/Q2T1571N |
More data for this Ligand-Target Pair | |
Adenosine deaminase
(Bos taurus (bovine)) | BDBM50070641
((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 | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 0.510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Rhode Island
Curated by ChEMBL
| Assay Description Inhibition of Adenosine deaminase (ADA) of calf intestine |
J Med Chem 43: 4694-700 (2001)
BindingDB Entry DOI: 10.7270/Q2KD1ZM2 |
More data for this Ligand-Target Pair | |
Adenosine deaminase
(Bos taurus (bovine)) | BDBM50070641
((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 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 0.510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Rhode Island
Curated by ChEMBL
| Assay Description Compound was evaluated for inhibition of calf intestinal mucosa adenosine deaminase (ADA) |
Bioorg Med Chem Lett 8: 1639-42 (1999)
BindingDB Entry DOI: 10.7270/Q2M044JJ |
More data for this Ligand-Target Pair | |
Adenosine deaminase
(Bos taurus (bovine)) | BDBM50451174
(CHEMBL4202457)Show SMILES C[C@H](O)[C@@H](CCc1cccc(Br)c1)n1cnc2c(N)ncnc12 |r| 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 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition |
Bioorg Med Chem 25: 5799-5819 (2017)
Article DOI: 10.1016/j.bmc.2017.09.015 BindingDB Entry DOI: 10.7270/Q2M0482X |
More data for this Ligand-Target Pair | |
Adenosine deaminase
(Bos taurus (bovine)) | BDBM50070646
((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 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 0.760 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Rhode Island
Curated by ChEMBL
| Assay Description Inhibition of Adenosine deaminase (ADA) of calf intestine |
J Med Chem 43: 4694-700 (2001)
BindingDB Entry DOI: 10.7270/Q2KD1ZM2 |
More data for this Ligand-Target Pair | |
Adenosine deaminase
(Bos taurus (bovine)) | BDBM50070646
((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 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 0.760 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Rhode Island
Curated by ChEMBL
| Assay Description Compound was evaluated for inhibition of calf intestinal mucosa adenosine deaminase (ADA) |
Bioorg Med Chem Lett 8: 1639-42 (1999)
BindingDB Entry DOI: 10.7270/Q2M044JJ |
More data for this Ligand-Target Pair | |
Adenosine deaminase
(Bos taurus (bovine)) | BDBM28393
((+)-EHNA | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...)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 | PDB MMDB
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| Purchase
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Similars
| MMDB PDB PubMed
| 0.820 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Rhode Island
Curated by ChEMBL
| Assay Description Tested for binding affinity against calf intestinal Adenosine Deaminase (ADA) |
J Med Chem 37: 3844-9 (1994)
BindingDB Entry DOI: 10.7270/Q2FT8K2W |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine deaminase
(Bos taurus (bovine)) | BDBM50070642
((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 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 0.890 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Rhode Island
Curated by ChEMBL
| Assay Description Inhibition of Adenosine deaminase (ADA) of calf intestine |
J Med Chem 43: 4694-700 (2001)
BindingDB Entry DOI: 10.7270/Q2KD1ZM2 |
More data for this Ligand-Target Pair | |
Adenosine deaminase
(Bos taurus (bovine)) | BDBM50070642
((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 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 0.890 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Rhode Island
Curated by ChEMBL
| Assay Description Compound was evaluated for inhibition of calf intestinal mucosa adenosine deaminase (ADA) |
Bioorg Med Chem Lett 8: 1639-42 (1999)
BindingDB Entry DOI: 10.7270/Q2M044JJ |
More data for this Ligand-Target Pair | |
Adenosine deaminase
(Bos taurus (bovine)) | BDBM50070645
((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 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 0.950 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Rhode Island
Curated by ChEMBL
| Assay Description Inhibition of Adenosine deaminase (ADA) of calf intestine |
J Med Chem 43: 4694-700 (2001)
BindingDB Entry DOI: 10.7270/Q2KD1ZM2 |
More data for this Ligand-Target Pair | |
Adenosine deaminase
(Bos taurus (bovine)) | BDBM50070645
((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 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 0.950 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Rhode Island
Curated by ChEMBL
| Assay Description Compound was evaluated for inhibition of calf intestinal mucosa adenosine deaminase (ADA) |
Bioorg Med Chem Lett 8: 1639-42 (1999)
BindingDB Entry DOI: 10.7270/Q2M044JJ |
More data for this Ligand-Target Pair | |
Adenosine deaminase
(Bos taurus (bovine)) | BDBM50070643
((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 | PDB MMDB
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UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Rhode Island
Curated by ChEMBL
| Assay Description Compound was evaluated for inhibition of calf intestinal mucosa adenosine deaminase (ADA) |
Bioorg Med Chem Lett 8: 1639-42 (1999)
BindingDB Entry DOI: 10.7270/Q2M044JJ |
More data for this Ligand-Target Pair | |
Adenosine deaminase
(Bos taurus (bovine)) | BDBM50410269
(CHEMBL1181766)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) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description Inhibitory constant against bovine spleen Adenosine deaminase |
J Med Chem 48: 5162-74 (2005)
Article DOI: 10.1021/jm050136d BindingDB Entry DOI: 10.7270/Q2542PCH |
More data for this Ligand-Target Pair | |
Adenosine deaminase
(Homo sapiens (Human)) | BDBM28393
((+)-EHNA | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...)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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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Similars
| MMDB PDB Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113877 BindingDB Entry DOI: 10.7270/Q2PK0M78 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine deaminase
(Bos taurus (bovine)) | BDBM50070643
((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 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 1.02 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Rhode Island
Curated by ChEMBL
| Assay Description Inhibition of Adenosine deaminase (ADA) of calf intestine |
J Med Chem 43: 4694-700 (2001)
BindingDB Entry DOI: 10.7270/Q2KD1ZM2 |
More data for this Ligand-Target Pair | |
Adenosine deaminase
(Bos taurus (bovine)) | BDBM28393
((+)-EHNA | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...)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 | PDB MMDB
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Similars
| MMDB PDB Article
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibitory activity against adenosine deaminase in calf intestinal mucosa. |
Bioorg Med Chem Lett 6: 2417-2420 (1996)
Article DOI: 10.1016/0960-894X(96)00439-8 BindingDB Entry DOI: 10.7270/Q2PK0G3T |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine deaminase
(Bos taurus (bovine)) | BDBM50451177
(CHEMBL4210264)Show SMILES C[C@H](O)[C@@H](CCc1cccc(c1)C(F)(F)F)n1cnc2c(N)ncnc12 |r| 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 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition |
Bioorg Med Chem 25: 5799-5819 (2017)
Article DOI: 10.1016/j.bmc.2017.09.015 BindingDB Entry DOI: 10.7270/Q2M0482X |
More data for this Ligand-Target Pair | |
Adenosine deaminase
(Bos taurus (bovine)) | BDBM28393
((+)-EHNA | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...)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 | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB PubMed
| 1.13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Rhode Island
Curated by ChEMBL
| Assay Description Inhibition of Adenosine deaminase (ADA) of calf intestine |
J Med Chem 43: 4694-700 (2001)
BindingDB Entry DOI: 10.7270/Q2KD1ZM2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine deaminase
(Bos taurus (bovine)) | BDBM28393
((+)-EHNA | (2S,3R)-3-(6-amino-9H-purin-9-yl)nonan-...)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 | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| 1.14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description Inhibitory constant against bovine spleen Adenosine deaminase |
J Med Chem 48: 5162-74 (2005)
Article DOI: 10.1021/jm050136d BindingDB Entry DOI: 10.7270/Q2542PCH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine deaminase
(Bos taurus (bovine)) | BDBM50034908
((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 | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Similars
| PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Ability to inhibit calf intestinal adenosine deaminase (ADA); No data |
J Med Chem 25: 603-5 (1982)
Checked by Author BindingDB Entry DOI: 10.7270/Q26M35WJ |
More data for this Ligand-Target Pair | |
Adenosine deaminase
(Bos taurus (bovine)) | BDBM50451169
(CHEMBL4207346)Show SMILES C[C@H](O)[C@@H](CCc1cccc(F)c1)n1cnc2c(N)ncnc12 |r| 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 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition |
Bioorg Med Chem 25: 5799-5819 (2017)
Article DOI: 10.1016/j.bmc.2017.09.015 BindingDB Entry DOI: 10.7270/Q2M0482X |
More data for this Ligand-Target Pair | |
Adenosine deaminase
(Bos taurus (bovine)) | BDBM50451139
(CHEMBL4204605)Show SMILES C[C@H](O)[C@@H](CCc1cccc(c1)C(=O)NC1CCCC1)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C22H28N6O2/c1-14(29)18(28-13-26-19-20(23)24-12-25-21(19)28)10-9-15-5-4-6-16(11-15)22(30)27-17-7-2-3-8-17/h4-6,11-14,17-18,29H,2-3,7-10H2,1H3,(H,27,30)(H2,23,24,25)/t14-,18+/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition |
Bioorg Med Chem 25: 5799-5819 (2017)
Article DOI: 10.1016/j.bmc.2017.09.015 BindingDB Entry DOI: 10.7270/Q2M0482X |
More data for this Ligand-Target Pair | |
Adenosine deaminase
(Bos taurus (bovine)) | BDBM50451140
(CHEMBL4216271)Show SMILES C[C@H](O)[C@@H](CCc1cccc(c1)C(=O)N(C)C)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C19H24N6O2/c1-12(26)15(25-11-23-16-17(20)21-10-22-18(16)25)8-7-13-5-4-6-14(9-13)19(27)24(2)3/h4-6,9-12,15,26H,7-8H2,1-3H3,(H2,20,21,22)/t12-,15+/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition |
Bioorg Med Chem 25: 5799-5819 (2017)
Article DOI: 10.1016/j.bmc.2017.09.015 BindingDB Entry DOI: 10.7270/Q2M0482X |
More data for this Ligand-Target Pair | |
Adenosine deaminase
(Bos taurus (bovine)) | BDBM50451164
(CHEMBL4208941)Show SMILES C[C@H](O)[C@@H](CCc1cccc(c1)-c1cnccn1)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C20H21N7O/c1-13(28)17(27-12-26-18-19(21)24-11-25-20(18)27)6-5-14-3-2-4-15(9-14)16-10-22-7-8-23-16/h2-4,7-13,17,28H,5-6H2,1H3,(H2,21,24,25)/t13-,17+/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition |
Bioorg Med Chem 25: 5799-5819 (2017)
Article DOI: 10.1016/j.bmc.2017.09.015 BindingDB Entry DOI: 10.7270/Q2M0482X |
More data for this Ligand-Target Pair | |
Adenosine deaminase
(Bos taurus (bovine)) | BDBM50451167
(CHEMBL4206823)Show SMILES C[C@H](O)[C@@H](CCC1CCCCC1)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C16H25N5O/c1-11(22)13(8-7-12-5-3-2-4-6-12)21-10-20-14-15(17)18-9-19-16(14)21/h9-13,22H,2-8H2,1H3,(H2,17,18,19)/t11-,13+/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Ltd.
Curated by ChEMBL
| Assay Description Inhibition of bovine adenosine deaminase pre-incubated for 5 mins before adenosine addition |
Bioorg Med Chem 25: 5799-5819 (2017)
Article DOI: 10.1016/j.bmc.2017.09.015 BindingDB Entry DOI: 10.7270/Q2M0482X |
More data for this Ligand-Target Pair | |