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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for UniProtKB: Q96G91   
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
P2Y purinoceptor 11


(Homo sapiens (Human))
BDBM50422739
PNG
(CHEMBL413145)
Show SMILES [O-]S(=O)(=O)c1cc(c2c(NC(=O)c3ccc(F)c(NC(=O)c4cccc(NC(=O)Nc5cccc(c5)C(=O)Nc5cc(ccc5F)C(=O)Nc5ccc(c6cc(cc(c56)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)c4)c3)ccc(c2c1)S([O-])(=O)=O)S([O-])(=O)=O
Show InChI InChI=1S/C49H34F2N6O23S6/c50-33-9-7-25(47(60)54-35-11-13-39(83(69,70)71)31-19-29(81(63,64)65)21-41(43(31)35)85(75,76)77)17-37(33)56-45(58)23-3-1-5-27(15-23)52-49(62)53-28-6-2-4-24(16-28)46(59)57-38-18-26(8-10-34(38)51)48(61)55-36-12-14-40(84(72,73)74)32-20-30(82(66,67)68)22-42(44(32)36)86(78,79)80/h1-22H,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)/p-6
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 457n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibitory concentration against P2Y11 receptor expressed in 1321N1 astrocytoma Cells; (n=7)


J Med Chem 48: 7040-8 (2005)


Article DOI: 10.1021/jm050301p
BindingDB Entry DOI: 10.7270/Q2JM2BZ7
More data for this
Ligand-Target Pair
P2Y purinoceptor 11


(Homo sapiens (Human))
BDBM50456168
PNG
(CHEMBL1800685)
Show SMILES OC(=O)c1cc(-c2ccc(cc2)C2CCNCC2)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C29H24F3NO2/c30-29(31,32)25-8-5-19(6-9-25)22-7-10-26-23(15-22)16-24(28(34)35)17-27(26)21-3-1-18(2-4-21)20-11-13-33-14-12-20/h1-10,15-17,20,33H,11-14H2,(H,34,35)
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n/an/a>1.00E+4n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Antagonist activity human P2Y11R expressed in human 1321N1 cells assessed as inhibition of ATP-induced [3H]inositol phosphate accumulation after 30 m...


J Med Chem 59: 6149-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00044
BindingDB Entry DOI: 10.7270/Q2DJ5K34
More data for this
Ligand-Target Pair
P2Y purinoceptor 11


(Homo sapiens (Human))
BDBM50456168
PNG
(CHEMBL1800685)
Show SMILES OC(=O)c1cc(-c2ccc(cc2)C2CCNCC2)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C29H24F3NO2/c30-29(31,32)25-8-5-19(6-9-25)22-7-10-26-23(15-22)16-24(28(34)35)17-27(26)21-3-1-18(2-4-21)20-11-13-33-14-12-20/h1-10,15-17,20,33H,11-14H2,(H,34,35)
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01632
BindingDB Entry DOI: 10.7270/Q26D5Z20
More data for this
Ligand-Target Pair
P2Y purinoceptor 11


(Homo sapiens (Human))
BDBM50456168
PNG
(CHEMBL1800685)
Show SMILES OC(=O)c1cc(-c2ccc(cc2)C2CCNCC2)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C29H24F3NO2/c30-29(31,32)25-8-5-19(6-9-25)22-7-10-26-23(15-22)16-24(28(34)35)17-27(26)21-3-1-18(2-4-21)20-11-13-33-14-12-20/h1-10,15-17,20,33H,11-14H2,(H,34,35)
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n/an/a>1.00E+4n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Antagonist activity human P2Y11R expressed in human 1321N1 cells assessed as inhibition of ATP-induced [3H]inositol phosphate accumulation after 30 m...


J Med Chem 59: 6149-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00044
BindingDB Entry DOI: 10.7270/Q2DJ5K34
More data for this
Ligand-Target Pair