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BDBM50134967 CHEMBL356041::Phosphoric acid mono-[(1R,5S)-4-(6-methylamino-2-methylselanyl-purin-9-yl)-1-phosphonooxymethyl-bicyclo[3.1.0]hex-2-yl] ester

SMILES: CNc1nc([Se]C)nc2n(cnc12)C1CC(OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12

InChI Key: InChIKey=REXJVHWYQWBCMG-RPKDSOFCSA-N

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50134967   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50134967
PNG
(CHEMBL356041 | Phosphoric acid mono-[(1R,5S)-4-(6-...)
Show SMILES CNc1nc([Se]C)nc2n(cnc12)C1CC(OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12
Show InChI InChI=1S/C14H21N5O8P2Se/c1-15-11-10-12(18-13(17-11)30-2)19(6-16-10)8-3-9(27-29(23,24)25)14(4-7(8)14)5-26-28(20,21)22/h6-9H,3-5H2,1-2H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25)/t7-,8?,9?,14+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
35n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5 binding to P2Y purinoceptor 1 expressed in Sf9 cells


J Med Chem 46: 4974-87 (2003)


Article DOI: 10.1021/jm030127+
BindingDB Entry DOI: 10.7270/Q2NS0T9D
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50134967
PNG
(CHEMBL356041 | Phosphoric acid mono-[(1R,5S)-4-(6-...)
Show SMILES CNc1nc([Se]C)nc2n(cnc12)C1CC(OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12
Show InChI InChI=1S/C14H21N5O8P2Se/c1-15-11-10-12(18-13(17-11)30-2)19(6-16-10)8-3-9(27-29(23,24)25)14(4-7(8)14)5-26-28(20,21)22/h6-9H,3-5H2,1-2H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25)/t7-,8?,9?,14+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 377n/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Antagonistic activity against P2Y purinoceptor 1


J Med Chem 46: 4974-87 (2003)


Article DOI: 10.1021/jm030127+
BindingDB Entry DOI: 10.7270/Q2NS0T9D
More data for this
Ligand-Target Pair