Found 3 hits for monomerid = 22948 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Adenosine deaminase
(Homo sapiens (Human)) | BDBM22948
(1-[(1R,2S)-2-hydroxy-1-(2-naphthalen-1-ylethyl)pro...)Show SMILES C[C@H](O)[C@@H](CCc1cccc2ccccc12)n1cnc(c1)C(N)=O |r| Show InChI InChI=1S/C19H21N3O2/c1-13(23)18(22-11-17(19(20)24)21-12-22)10-9-15-7-4-6-14-5-2-3-8-16(14)15/h2-8,11-13,18,23H,9-10H2,1H3,(H2,20,24)/t13-,18+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Fujisawa Pharmaceutical Co., Ltd.
Curated by ChEMBL
| Assay Description Inhibitory concentration against adenosine deaminase |
J Med Chem 48: 4750-3 (2005)
Article DOI: 10.1021/jm050413g BindingDB Entry DOI: 10.7270/Q2JD4WBG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine deaminase
(Mus musculus) | BDBM22948
(1-[(1R,2S)-2-hydroxy-1-(2-naphthalen-1-ylethyl)pro...)Show SMILES C[C@H](O)[C@@H](CCc1cccc2ccccc12)n1cnc(c1)C(N)=O |r| Show InChI InChI=1S/C19H21N3O2/c1-13(23)18(22-11-17(19(20)24)21-12-22)10-9-15-7-4-6-14-5-2-3-8-16(14)15/h2-8,11-13,18,23H,9-10H2,1H3,(H2,20,24)/t13-,18+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Similars
| PDB
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Adenosine deaminase
(Homo sapiens (Human)) | BDBM22948
(1-[(1R,2S)-2-hydroxy-1-(2-naphthalen-1-ylethyl)pro...)Show SMILES C[C@H](O)[C@@H](CCc1cccc2ccccc12)n1cnc(c1)C(N)=O |r| Show InChI InChI=1S/C19H21N3O2/c1-13(23)18(22-11-17(19(20)24)21-12-22)10-9-15-7-4-6-14-5-2-3-8-16(14)15/h2-8,11-13,18,23H,9-10H2,1H3,(H2,20,24)/t13-,18+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| 11 | -10.7 | 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... |
J Med Chem 47: 2728-31 (2004)
Article DOI: 10.1021/jm0499559 BindingDB Entry DOI: 10.7270/Q22F7KQT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |