BDBM22920 1-[(2R)-1-hydroxy-4-{6-[3-(1-methyl-1H-1,3-benzodiazol-2-yl)propanamido]-1H-indol-1-yl}butan-2-yl]-1H-imidazole-4-carboxamide::CHEMBL93280::FR235999
SMILES: Cn1c(CCC(=O)Nc2ccc3ccn(CC[C@H](CO)n4cnc(c4)C(N)=O)c3c2)nc2ccccc12
InChI Key: InChIKey=MBHAURHGCAJBCN-HXUWFJFHSA-N
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)) | BDBM22920 (1-[(2R)-1-hydroxy-4-{6-[3-(1-methyl-1H-1,3-benzodi...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | 7.70 | -10.9 | 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 Am Chem Soc 126: 34-5 (2004) Article DOI: 10.1021/ja038606l BindingDB Entry DOI: 10.7270/Q2FQ9TWW | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Adenosine deaminase (Homo sapiens (Human)) | BDBM22920 (1-[(2R)-1-hydroxy-4-{6-[3-(1-methyl-1H-1,3-benzodi...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | 7.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sunesis Pharmaceuticals Inc. Curated by ChEMBL | Assay Description Binding affinity towards adenosine deaminase | J Med Chem 47: 3463-82 (2004) Article DOI: 10.1021/jm040031v BindingDB Entry DOI: 10.7270/Q2NC61ZJ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Adenosine deaminase (Homo sapiens (Human)) | BDBM22920 (1-[(2R)-1-hydroxy-4-{6-[3-(1-methyl-1H-1,3-benzodi...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | 7.70 | -10.9 | 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) | ||||||||||||
Adenosine deaminase (Homo sapiens (Human)) | BDBM22920 (1-[(2R)-1-hydroxy-4-{6-[3-(1-methyl-1H-1,3-benzodi...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | 7.70 | -10.9 | 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: 3730-43 (2004) Article DOI: 10.1021/jm0306374 BindingDB Entry DOI: 10.7270/Q2668BG0 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |