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PubMed code 8190112

Compile data set for download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
ADORA3


(RAT)
BDBM50021484
PNG
(5-(6-Cyclohexylamino-purin-9-yl)-3,4-dihydroxy-tet...)
Show SMILES CCNC(=O)C1OC(C(O)C1O)n1cnc2c(NC3CCCCC3)ncnc12
Show InChI InChI=1S/C18H26N6O4/c1-2-19-17(27)14-12(25)13(26)18(28-14)24-9-22-11-15(20-8-21-16(11)24)23-10-6-4-3-5-7-10/h8-10,12-14,18,25-26H,2-7H2,1H3,(H,19,27)(H,20,21,23)
KEGG

UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
33.1n/an/an/an/an/an/an/an/a



Duke University

Curated by PDSP Ki Database




Mol Pharmacol 45: 978-82 (1994)


Article DOI: 10.1016/j.bioorg.2015.03.005
BindingDB Entry DOI: 10.7270/Q2J101P9
More data for this
Ligand-Target Pair
ADORA3


(RAT)
BDBM50006730
PNG
((R)-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethyla...)
Show SMILES CC(Cc1ccccc1)Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1O
Show InChI InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)
KEGG

UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
218n/an/an/an/an/an/an/an/a



Duke University

Curated by PDSP Ki Database




Mol Pharmacol 45: 978-82 (1994)


Article DOI: 10.1016/j.bioorg.2015.03.005
BindingDB Entry DOI: 10.7270/Q2J101P9
More data for this
Ligand-Target Pair
ADORA3


(RAT)
BDBM21220
PNG
((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)
Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1
KEGG

UniProtKB/TrEMBL

GoogleScholar
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
261n/an/an/an/an/an/an/an/a



Duke University

Curated by PDSP Ki Database




Mol Pharmacol 45: 978-82 (1994)


Article DOI: 10.1016/j.bioorg.2015.03.005
BindingDB Entry DOI: 10.7270/Q2J101P9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%