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PubMed code 12729666

Compile data set for download or QSAR
Found 2 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
P2Y purinoceptor 12


(Homo sapiens (Human))
BDBM50127868
PNG
(CHEMBL299895 | Sterol sulfate)
Show SMILES C[C@H](CCC(C)C(C)(C)C)C1CC[C@H]2[C@@H]3C[C@H](OS([O-])(=O)=O)[C@H]4C[C@H](OS([O-])(=O)=O)[C@@H](C[C@]4(C)[C@@]3(C)CC[C@]12C)OS([O-])(=O)=O
Show InChI InChI=1S/C30H54O12S3/c1-18(9-10-19(2)27(3,4)5)20-11-12-21-22-15-24(40-43(31,32)33)23-16-25(41-44(34,35)36)26(42-45(37,38)39)17-30(23,8)29(22,7)14-13-28(20,21)6/h18-26H,9-17H2,1-8H3,(H,31,32,33)(H,34,35,36)(H,37,38,39)/p-3/t18-,19?,20?,21+,22+,23-,24+,25+,26-,28-,29+,30+/m1/s1
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PC cid
PC sid
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Similars

PubMed
n/an/a 480n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Purinergic receptor P2Y12 using [3H]-2-methylthio-ADP as radioligand


Bioorg Med Chem Lett 13: 1791-4 (2003)


BindingDB Entry DOI: 10.7270/Q2RV0N2T
More data for this
Ligand-Target Pair
P2Y purinoceptor 12


(Homo sapiens (Human))
BDBM50127869
PNG
(CHEMBL299307 | Sterol sulfate)
Show SMILES C[C@H](C(O)C(O)C(C)C(C)(C)C)C1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OS([O-])(=O)=O)[C@@H](C[C@]4(C)[C@@]3(C)CC[C@]12C)OS([O-])(=O)=O
Show InChI InChI=1S/C30H54O10S2/c1-17(25(31)26(32)18(2)27(3,4)5)20-11-12-21-22-10-9-19-15-23(39-41(33,34)35)24(40-42(36,37)38)16-30(19,8)29(22,7)14-13-28(20,21)6/h17-26,31-32H,9-16H2,1-8H3,(H,33,34,35)(H,36,37,38)/p-2/t17-,18?,19-,20?,21-,22-,23-,24+,25?,26?,28+,29-,30-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Purinergic receptor P2Y12 using [3H]-2-methylthio-ADP as radioligand


Bioorg Med Chem Lett 13: 1791-4 (2003)


BindingDB Entry DOI: 10.7270/Q2RV0N2T
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%