Found 6 hits of Enzyme Inhibition Constant Data 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 |
|---|
Hypoxanthine-guanine phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50111505
(CHEMBL3604955)Show SMILES Nc1nc2n(CCN(CCP(O)(O)=O)CC(O)CO)cnc2c(=O)[nH]1 Show InChI InChI=1S/C12H21N6O6P/c13-12-15-10-9(11(21)16-12)14-7-18(10)2-1-17(5-8(20)6-19)3-4-25(22,23)24/h7-8,19-20H,1-6H2,(H2,22,23,24)(H3,13,15,16,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 600 | 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 by spectrophotometric assay |
Bioorg Med Chem 23: 5502-10 (2015)
Article DOI: 10.1016/j.bmc.2015.07.038
BindingDB Entry DOI: 10.7270/Q2N58P4B |
More data for this
Ligand-Target Pair | |
Hypoxanthine-guanine phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50111506
(CHEMBL3603852)Show SMILES Nc1nc2n(CCN(CCOCc3ccccc3)CCP(O)(O)=O)cnc2c(=O)[nH]1 Show InChI InChI=1S/C18H25N6O5P/c19-18-21-16-15(17(25)22-18)20-13-24(16)7-6-23(9-11-30(26,27)28)8-10-29-12-14-4-2-1-3-5-14/h1-5,13H,6-12H2,(H2,26,27,28)(H3,19,21,22,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.90E+3 | 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 by spectrophotometric assay |
Bioorg Med Chem 23: 5502-10 (2015)
Article DOI: 10.1016/j.bmc.2015.07.038
BindingDB Entry DOI: 10.7270/Q2N58P4B |
More data for this
Ligand-Target Pair | |
Hypoxanthine-guanine phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM194504
(US9200020, 2)Show SMILES Nc1nc2n(CCN(CCP(O)(O)=O)CP(O)(O)=O)cnc2c(=O)[nH]1 Show InChI InChI=1S/C10H18N6O7P2/c11-10-13-8-7(9(17)14-10)12-5-16(8)2-1-15(6-25(21,22)23)3-4-24(18,19)20/h5H,1-4,6H2,(H2,18,19,20)(H2,21,22,23)(H3,11,13,14,17) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.00E+3 | 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 by spectrophotometric assay |
Bioorg Med Chem 23: 5502-10 (2015)
Article DOI: 10.1016/j.bmc.2015.07.038
BindingDB Entry DOI: 10.7270/Q2N58P4B |
More data for this
Ligand-Target Pair | |
Hypoxanthine-guanine phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50111507
(CHEMBL3604957)Show InChI InChI=1S/C12H20N5O6P/c18-6-9(19)5-16(3-4-24(21,22)23)1-2-17-8-15-10-11(17)13-7-14-12(10)20/h7-9,18-19H,1-6H2,(H,13,14,20)(H2,21,22,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 3.80E+3 | 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 by spectrophotometric assay |
Bioorg Med Chem 23: 5502-10 (2015)
Article DOI: 10.1016/j.bmc.2015.07.038
BindingDB Entry DOI: 10.7270/Q2N58P4B |
More data for this
Ligand-Target Pair | |
Hypoxanthine-guanine phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50111508
(CHEMBL3604958)Show SMILES OP(O)(=O)CCN(CCn1cnc2c1nc[nH]c2=O)CP(O)(O)=O Show InChI InChI=1S/C10H17N5O7P2/c16-10-8-9(11-5-12-10)15(6-13-8)2-1-14(7-24(20,21)22)3-4-23(17,18)19/h5-6H,1-4,7H2,(H,11,12,16)(H2,17,18,19)(H2,20,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.00E+4 | 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 by spectrophotometric assay |
Bioorg Med Chem 23: 5502-10 (2015)
Article DOI: 10.1016/j.bmc.2015.07.038
BindingDB Entry DOI: 10.7270/Q2N58P4B |
More data for this
Ligand-Target Pair | |
Hypoxanthine-guanine phosphoribosyltransferase
(Homo sapiens (Human)) | BDBM50111509
(CHEMBL3604959)Show SMILES OP(O)(=O)CCN(CCOCc1ccccc1)CCn1cnc2c1nc[nH]c2=O Show InChI InChI=1S/C18H24N5O5P/c24-18-16-17(19-13-20-18)23(14-21-16)7-6-22(9-11-29(25,26)27)8-10-28-12-15-4-2-1-3-5-15/h1-5,13-14H,6-12H2,(H,19,20,24)(H2,25,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.30E+4 | 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 by spectrophotometric assay |
Bioorg Med Chem 23: 5502-10 (2015)
Article DOI: 10.1016/j.bmc.2015.07.038
BindingDB Entry DOI: 10.7270/Q2N58P4B |
More data for this
Ligand-Target Pair | |
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