BDBM50392261 CHEMBL2153480
SMILES: Nc1nc2n(CCN(CCC#N)CCP(O)(O)=O)cnc2c(=O)[nH]1
InChI Key: InChIKey=JPFXXOOGZIRDPS-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50392261 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 |
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)
(Homo sapiens (Human)) | BDBM50392261
(CHEMBL2153480)Show SMILES Nc1nc2n(CCN(CCC#N)CCP(O)(O)=O)cnc2c(=O)[nH]1 Show InChI InChI=1S/C12H18N7O4P/c13-2-1-3-18(6-7-24(21,22)23)4-5-19-8-15-9-10(19)16-12(14)17-11(9)20/h8H,1,3-7H2,(H2,21,22,23)(H3,14,16,17,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description Inhibition of human HGPRT using Prib-PP as substrate by spectrophotometric assay in presence of guanine |
J Med Chem 55: 6209-23 (2012)
Article DOI: 10.1021/jm300662d BindingDB Entry DOI: 10.7270/Q2VX0HND |
More data for this Ligand-Target Pair | |
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)
(Homo sapiens (Human)) | BDBM50392261
(CHEMBL2153480)Show SMILES Nc1nc2n(CCN(CCC#N)CCP(O)(O)=O)cnc2c(=O)[nH]1 Show InChI InChI=1S/C12H18N7O4P/c13-2-1-3-18(6-7-24(21,22)23)4-5-19-8-15-9-10(19)16-12(14)17-11(9)20/h8H,1,3-7H2,(H2,21,22,23)(H3,14,16,17,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description Inhibition of human HGPRT |
J Med Chem 58: 827-46 (2015)
Article DOI: 10.1021/jm501416t BindingDB Entry DOI: 10.7270/Q2HM5B3V |
More data for this Ligand-Target Pair | |