BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 54 hits with Last Name = 'abibi' and Initial = 'a'   
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
Phenylalanyl-tRNA synthetase (PheRS)


(Escherichia coli (Enterobacteria))
BDBM231666
PNG
(N-(2-(1H-indol-3-yl)ethyl)-3-(3-thiazol-2-ylureido...)
Show SMILES O=C(Nc1nccs1)Nc1cccc(c1)S(=O)(=O)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C20H19N5O3S2/c26-19(25-20-21-10-11-29-20)24-15-4-3-5-16(12-15)30(27,28)23-9-8-14-13-22-18-7-2-1-6-17(14)18/h1-7,10-13,22-23H,8-9H2,(H2,21,24,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.20n/an/an/an/an/an/a



AstraZeneca R&D Boston



Assay Description
Compounds were solubilized in DMSO. Serial 2-fold dilutions covering two concentration ranges, 10 mM to 19.5 μM and 100 μM to 195 nM, were ...


J Biol Chem 289: 21651-62 (2014)


Article DOI: 10.1074/jbc.M114.574061
BindingDB Entry DOI: 10.7270/Q2BG2MVZ
More data for this
Ligand-Target Pair
Phenylalanyl-tRNA synthetase (PheRS)


(Escherichia coli (Enterobacteria))
BDBM231665
PNG
(1-(3-(4-(Pyridin-2-yl)piperazin-1-ylsulfonyl)pheny...)
Show SMILES O=C(Nc1nccs1)Nc1cccc(c1)S(=O)(=O)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C19H20N6O3S2/c26-18(23-19-21-8-13-29-19)22-15-4-3-5-16(14-15)30(27,28)25-11-9-24(10-12-25)17-6-1-2-7-20-17/h1-8,13-14H,9-12H2,(H2,21,22,23,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
DrugBank
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 2.70n/an/an/an/an/an/a



AstraZeneca R&D Boston



Assay Description
Compounds were solubilized in DMSO. Serial 2-fold dilutions covering two concentration ranges, 10 mM to 19.5 μM and 100 μM to 195 nM, were ...


J Biol Chem 289: 21651-62 (2014)


Article DOI: 10.1074/jbc.M114.574061
BindingDB Entry DOI: 10.7270/Q2BG2MVZ
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50338159
PNG
(2-(6-(2-chloro-4-(methylsulfonyl)benzyl)-5-methyl-...)
Show SMILES Cc1c(CC(O)=O)c2ccsc2n1Cc1ccc(cc1Cl)S(C)(=O)=O
Show InChI InChI=1S/C17H16ClNO4S2/c1-10-14(8-16(20)21)13-5-6-24-17(13)19(10)9-11-3-4-12(7-15(11)18)25(2,22)23/h3-7H,8-9H2,1-2H3,(H,20,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 21: 1861-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.008
BindingDB Entry DOI: 10.7270/Q2BV7GXW
More data for this
Ligand-Target Pair
Phenylalanyl-tRNA synthetase (PheRS)


(Pseudomonas aeruginosa)
BDBM231666
PNG
(N-(2-(1H-indol-3-yl)ethyl)-3-(3-thiazol-2-ylureido...)
Show SMILES O=C(Nc1nccs1)Nc1cccc(c1)S(=O)(=O)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C20H19N5O3S2/c26-19(25-20-21-10-11-29-20)24-15-4-3-5-16(12-15)30(27,28)23-9-8-14-13-22-18-7-2-1-6-17(14)18/h1-7,10-13,22-23H,8-9H2,(H2,21,24,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



AstraZeneca R&D Boston



Assay Description
Compounds were solubilized in DMSO. Serial 2-fold dilutions covering two concentration ranges, 10 mM to 19.5 μM and 100 μM to 195 nM, were ...


J Biol Chem 289: 21651-62 (2014)


Article DOI: 10.1074/jbc.M114.574061
BindingDB Entry DOI: 10.7270/Q2BG2MVZ
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50338157
PNG
(2-(6-(4-(N-cyclohexyl-N-methylsulfamoyl)benzyl)-5-...)
Show SMILES CN(C1CCCCC1)S(=O)(=O)c1ccc(Cn2c(C)c(CC(O)=O)c3ccsc23)cc1
Show InChI InChI=1S/C23H28N2O4S2/c1-16-21(14-22(26)27)20-12-13-30-23(20)25(16)15-17-8-10-19(11-9-17)31(28,29)24(2)18-6-4-3-5-7-18/h8-13,18H,3-7,14-15H2,1-2H3,(H,26,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 21: 1861-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.008
BindingDB Entry DOI: 10.7270/Q2BV7GXW
More data for this
Ligand-Target Pair
Phenylalanyl-tRNA synthetase (PheRS)


(Pseudomonas aeruginosa)
BDBM231665
PNG
(1-(3-(4-(Pyridin-2-yl)piperazin-1-ylsulfonyl)pheny...)
Show SMILES O=C(Nc1nccs1)Nc1cccc(c1)S(=O)(=O)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C19H20N6O3S2/c26-18(23-19-21-8-13-29-19)22-15-4-3-5-16(14-15)30(27,28)25-11-9-24(10-12-25)17-6-1-2-7-20-17/h1-8,13-14H,9-12H2,(H2,21,22,23,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
DrugBank
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 22n/an/an/an/an/an/a



AstraZeneca R&D Boston



Assay Description
Compounds were solubilized in DMSO. Serial 2-fold dilutions covering two concentration ranges, 10 mM to 19.5 μM and 100 μM to 195 nM, were ...


J Biol Chem 289: 21651-62 (2014)


Article DOI: 10.1074/jbc.M114.574061
BindingDB Entry DOI: 10.7270/Q2BG2MVZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50338158
PNG
(2-(5-methyl-6-(4-(methylsulfonyl)benzyl)-6H-thieno...)
Show SMILES Cc1c(CC(O)=O)c2ccsc2n1Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H17NO4S2/c1-11-15(9-16(19)20)14-7-8-23-17(14)18(11)10-12-3-5-13(6-4-12)24(2,21)22/h3-8H,9-10H2,1-2H3,(H,19,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 21: 1861-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.008
BindingDB Entry DOI: 10.7270/Q2BV7GXW
More data for this
Ligand-Target Pair
Phenylalanyl-tRNA synthetase (PheRS)


(Escherichia coli (Enterobacteria))
BDBM231670
PNG
(5-(3-Methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazol...)
Show SMILES COc1cccc(c1)-c1cc(n[nH]1)C(F)(F)F
Show InChI InChI=1S/C11H9F3N2O/c1-17-8-4-2-3-7(5-8)9-6-10(16-15-9)11(12,13)14/h2-6H,1H3,(H,15,16)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 60n/an/an/an/an/an/a



AstraZeneca R&D Boston



Assay Description
Compounds were solubilized in DMSO. Serial 2-fold dilutions covering two concentration ranges, 10 mM to 19.5 μM and 100 μM to 195 nM, were ...


J Biol Chem 289: 21651-62 (2014)


Article DOI: 10.1074/jbc.M114.574061
BindingDB Entry DOI: 10.7270/Q2BG2MVZ
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50338156
PNG
(2-(5-methyl-6-(4-(morpholinosulfonyl)benzyl)-6H-th...)
Show SMILES Cc1c(CC(O)=O)c2ccsc2n1Cc1ccc(cc1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C20H22N2O5S2/c1-14-18(12-19(23)24)17-6-11-28-20(17)22(14)13-15-2-4-16(5-3-15)29(25,26)21-7-9-27-10-8-21/h2-6,11H,7-10,12-13H2,1H3,(H,23,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 70n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 21: 1861-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.008
BindingDB Entry DOI: 10.7270/Q2BV7GXW
More data for this
Ligand-Target Pair
Phenylalanyl-tRNA synthetase (PheRS)


(Escherichia coli (Enterobacteria))
BDBM231674
PNG
(N-(2-(1-(methylsulfonyl)cyclopropyl)ethyl)-2-(3-(5...)
Show SMILES CS(=O)(=O)C1(CCNC(=O)COc2cccc(c2)-c2cc([nH]n2)C(F)(F)F)CC1
Show InChI InChI=1S/C18H20F3N3O4S/c1-29(26,27)17(5-6-17)7-8-22-16(25)11-28-13-4-2-3-12(9-13)14-10-15(24-23-14)18(19,20)21/h2-4,9-10H,5-8,11H2,1H3,(H,22,25)(H,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 70n/an/an/an/an/an/a



AstraZeneca R&D Boston



Assay Description
Compounds were solubilized in DMSO. Serial 2-fold dilutions covering two concentration ranges, 10 mM to 19.5 μM and 100 μM to 195 nM, were ...


J Biol Chem 289: 21651-62 (2014)


Article DOI: 10.1074/jbc.M114.574061
BindingDB Entry DOI: 10.7270/Q2BG2MVZ
More data for this
Ligand-Target Pair
Phenylalanyl-tRNA synthetase (PheRS)


(Escherichia coli (Enterobacteria))
BDBM231671
PNG
(Ethyl 2-(3-(5-(trifluoromethyl)-1H-pyrazol-3-yl)ph...)
Show SMILES CCOC(=O)COc1cccc(c1)-c1cc([nH]n1)C(F)(F)F
Show InChI InChI=1S/C14H13F3N2O3/c1-2-21-13(20)8-22-10-5-3-4-9(6-10)11-7-12(19-18-11)14(15,16)17/h3-7H,2,8H2,1H3,(H,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 80n/an/an/an/an/an/a



AstraZeneca R&D Boston



Assay Description
Compounds were solubilized in DMSO. Serial 2-fold dilutions covering two concentration ranges, 10 mM to 19.5 μM and 100 μM to 195 nM, were ...


J Biol Chem 289: 21651-62 (2014)


Article DOI: 10.1074/jbc.M114.574061
BindingDB Entry DOI: 10.7270/Q2BG2MVZ
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50338152
PNG
(2-(5-methyl-6-(4-(methylsulfonyl)phenylsulfonyl)-6...)
Show SMILES Cc1c(CC(O)=O)c2ccsc2n1S(=O)(=O)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C16H15NO6S3/c1-10-14(9-15(18)19)13-7-8-24-16(13)17(10)26(22,23)12-5-3-11(4-6-12)25(2,20)21/h3-8H,9H2,1-2H3,(H,18,19)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 90n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 21: 1861-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.008
BindingDB Entry DOI: 10.7270/Q2BV7GXW
More data for this
Ligand-Target Pair
Phenylalanyl-tRNA synthetase (PheRS)


(Escherichia coli (Enterobacteria))
BDBM231676
PNG
(2-((4-Chlorophenoxy)methyl)-N-(cyanomethyl)thiazol...)
Show SMILES Clc1ccc(OCc2nc(cs2)C(=O)NCC#N)cc1
Show InChI InChI=1S/C13H10ClN3O2S/c14-9-1-3-10(4-2-9)19-7-12-17-11(8-20-12)13(18)16-6-5-15/h1-4,8H,6-7H2,(H,16,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 100n/an/an/an/an/an/a



AstraZeneca R&D Boston



Assay Description
Compounds were solubilized in DMSO. Serial 2-fold dilutions covering two concentration ranges, 10 mM to 19.5 μM and 100 μM to 195 nM, were ...


J Biol Chem 289: 21651-62 (2014)


Article DOI: 10.1074/jbc.M114.574061
BindingDB Entry DOI: 10.7270/Q2BG2MVZ
More data for this
Ligand-Target Pair
Phenylalanyl-tRNA synthetase (PheRS)


(Escherichia coli (Enterobacteria))
BDBM231669
PNG
(2-[3-[(4-Chloro-2-pyridyl)amino]phenoxy]-N-(1,1-di...)
Show SMILES Clc1ccnc(Nc2cccc(OCC(=O)NC3CCS(=O)(=O)C3)c2)c1
Show InChI InChI=1S/C17H18ClN3O4S/c18-12-4-6-19-16(8-12)20-13-2-1-3-15(9-13)25-10-17(22)21-14-5-7-26(23,24)11-14/h1-4,6,8-9,14H,5,7,10-11H2,(H,19,20)(H,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 100n/an/an/an/an/an/a



AstraZeneca R&D Boston



Assay Description
Compounds were solubilized in DMSO. Serial 2-fold dilutions covering two concentration ranges, 10 mM to 19.5 μM and 100 μM to 195 nM, were ...


J Biol Chem 289: 21651-62 (2014)


Article DOI: 10.1074/jbc.M114.574061
BindingDB Entry DOI: 10.7270/Q2BG2MVZ
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50338158
PNG
(2-(5-methyl-6-(4-(methylsulfonyl)benzyl)-6H-thieno...)
Show SMILES Cc1c(CC(O)=O)c2ccsc2n1Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H17NO4S2/c1-11-15(9-16(19)20)14-7-8-23-17(14)18(11)10-12-3-5-13(6-4-12)24(2,21)22/h3-8H,9-10H2,1-2H3,(H,19,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 130n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in CHO/Ga16 cells co-expressing Galpha16 protein assessed as calcium flux by FLIPR assay


Bioorg Med Chem Lett 21: 1861-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.008
BindingDB Entry DOI: 10.7270/Q2BV7GXW
More data for this
Ligand-Target Pair
Phenylalanyl-tRNA synthetase (PheRS)


(Escherichia coli (Enterobacteria))
BDBM231677
PNG
(2-((4-Chlorophenoxy)methyl)-N-(2-sulfamoylethyl)th...)
Show SMILES NS(=O)(=O)CCNC(=O)c1csc(COc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C13H14ClN3O4S2/c14-9-1-3-10(4-2-9)21-7-12-17-11(8-22-12)13(18)16-5-6-23(15,19)20/h1-4,8H,5-7H2,(H,16,18)(H2,15,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 190n/an/an/an/an/an/a



AstraZeneca R&D Boston



Assay Description
Compounds were solubilized in DMSO. Serial 2-fold dilutions covering two concentration ranges, 10 mM to 19.5 μM and 100 μM to 195 nM, were ...


J Biol Chem 289: 21651-62 (2014)


Article DOI: 10.1074/jbc.M114.574061
BindingDB Entry DOI: 10.7270/Q2BG2MVZ
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50338155
PNG
(2-(6-(4-(N,N-dimethylsulfamoyl)benzyl)-5-methyl-6H...)
Show SMILES CN(C)S(=O)(=O)c1ccc(Cn2c(C)c(CC(O)=O)c3ccsc23)cc1
Show InChI InChI=1S/C18H20N2O4S2/c1-12-16(10-17(21)22)15-8-9-25-18(15)20(12)11-13-4-6-14(7-5-13)26(23,24)19(2)3/h4-9H,10-11H2,1-3H3,(H,21,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 190n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 21: 1861-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.008
BindingDB Entry DOI: 10.7270/Q2BV7GXW
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50338153
PNG
(2-(5-methyl-6-(4-(morpholinosulfonyl)phenylsulfony...)
Show SMILES Cc1c(CC(O)=O)c2ccsc2n1S(=O)(=O)c1ccc(cc1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C19H20N2O7S3/c1-13-17(12-18(22)23)16-6-11-29-19(16)21(13)31(26,27)15-4-2-14(3-5-15)30(24,25)20-7-9-28-10-8-20/h2-6,11H,7-10,12H2,1H3,(H,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 230n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 21: 1861-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.008
BindingDB Entry DOI: 10.7270/Q2BV7GXW
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50338163
PNG
(2-(6-(2-chloro-4-(methylsulfonyl)benzyl)-2,5-dimet...)
Show SMILES Cc1cc2c(CC(O)=O)c(C)n(Cc3ccc(cc3Cl)S(C)(=O)=O)c2s1
Show InChI InChI=1S/C18H18ClNO4S2/c1-10-6-15-14(8-17(21)22)11(2)20(18(15)25-10)9-12-4-5-13(7-16(12)19)26(3,23)24/h4-7H,8-9H2,1-3H3,(H,21,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 330n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 21: 1861-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.008
BindingDB Entry DOI: 10.7270/Q2BV7GXW
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50338154
PNG
(2-(5-methyl-6-(4-(pyrrolidin-1-ylsulfonyl)phenylsu...)
Show SMILES Cc1c(CC(O)=O)c2ccsc2n1S(=O)(=O)c1ccc(cc1)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C19H20N2O6S3/c1-13-17(12-18(22)23)16-8-11-28-19(16)21(13)30(26,27)15-6-4-14(5-7-15)29(24,25)20-9-2-3-10-20/h4-8,11H,2-3,9-10,12H2,1H3,(H,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 390n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 21: 1861-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.008
BindingDB Entry DOI: 10.7270/Q2BV7GXW
More data for this
Ligand-Target Pair
Phenylalanyl-tRNA synthetase (PheRS)


(Escherichia coli (Enterobacteria))
BDBM231668
PNG
(2-(3-(4-Cyanopyridin-2-ylamino)phenoxy)-N-methylac...)
Show SMILES CNC(=O)COc1cccc(Nc2cc(ccn2)C#N)c1
Show InChI InChI=1S/C15H14N4O2/c1-17-15(20)10-21-13-4-2-3-12(8-13)19-14-7-11(9-16)5-6-18-14/h2-8H,10H2,1H3,(H,17,20)(H,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 560n/an/an/an/an/an/a



AstraZeneca R&D Boston



Assay Description
Compounds were solubilized in DMSO. Serial 2-fold dilutions covering two concentration ranges, 10 mM to 19.5 μM and 100 μM to 195 nM, were ...


J Biol Chem 289: 21651-62 (2014)


Article DOI: 10.1074/jbc.M114.574061
BindingDB Entry DOI: 10.7270/Q2BG2MVZ
More data for this
Ligand-Target Pair
Phenylalanyl-tRNA synthetase (PheRS)


(Escherichia coli (Enterobacteria))
BDBM231672
PNG
(Ethyl 2-(3-(3-(difluoromethyl)-1H-pyrazol-5-yl)phe...)
Show SMILES CCOC(=O)COc1cccc(c1)-c1cc(n[nH]1)C(F)F
Show InChI InChI=1S/C14H14F2N2O3/c1-2-20-13(19)8-21-10-5-3-4-9(6-10)11-7-12(14(15)16)18-17-11/h3-7,14H,2,8H2,1H3,(H,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



AstraZeneca R&D Boston



Assay Description
Compounds were solubilized in DMSO. Serial 2-fold dilutions covering two concentration ranges, 10 mM to 19.5 μM and 100 μM to 195 nM, were ...


J Biol Chem 289: 21651-62 (2014)


Article DOI: 10.1074/jbc.M114.574061
BindingDB Entry DOI: 10.7270/Q2BG2MVZ
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50338150
PNG
(2-(5-methyl-6-(4-(trifluoromethyl)phenylsulfonyl)-...)
Show SMILES Cc1c(CC(O)=O)c2ccsc2n1S(=O)(=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C16H12F3NO4S2/c1-9-13(8-14(21)22)12-6-7-25-15(12)20(9)26(23,24)11-4-2-10(3-5-11)16(17,18)19/h2-7H,8H2,1H3,(H,21,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.13E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 21: 1861-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.008
BindingDB Entry DOI: 10.7270/Q2BV7GXW
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50338160
PNG
(2-(3,5-dimethyl-6-(4-(methylsulfonyl)phenylsulfony...)
Show SMILES Cc1csc2n(c(C)c(CC(O)=O)c12)S(=O)(=O)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H17NO6S3/c1-10-9-25-17-16(10)14(8-15(19)20)11(2)18(17)27(23,24)13-6-4-12(5-7-13)26(3,21)22/h4-7,9H,8H2,1-3H3,(H,19,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 21: 1861-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.008
BindingDB Entry DOI: 10.7270/Q2BV7GXW
More data for this
Ligand-Target Pair
Phenylalanyl-tRNA synthetase (PheRS)


(Escherichia coli (Enterobacteria))
BDBM231675
PNG
(N-(1,1-dioxothiolan-3-yl)-2-[(4-methylphenoxy)meth...)
Show SMILES Cc1ccc(OCc2nc(cs2)C(=O)NC2CCS(=O)(=O)C2)cc1
Show InChI InChI=1S/C16H18N2O4S2/c1-11-2-4-13(5-3-11)22-8-15-18-14(9-23-15)16(19)17-12-6-7-24(20,21)10-12/h2-5,9,12H,6-8,10H2,1H3,(H,17,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



AstraZeneca R&D Boston



Assay Description
Compounds were solubilized in DMSO. Serial 2-fold dilutions covering two concentration ranges, 10 mM to 19.5 μM and 100 μM to 195 nM, were ...


J Biol Chem 289: 21651-62 (2014)


Article DOI: 10.1074/jbc.M114.574061
BindingDB Entry DOI: 10.7270/Q2BG2MVZ
More data for this
Ligand-Target Pair
Phenylalanyl-tRNA synthetase (PheRS)


(Escherichia coli (Enterobacteria))
BDBM231667
PNG
(2-(3-(4-Chloropyridin-2-ylamino)phenoxy)-N-methyla...)
Show SMILES CNC(=O)COc1cccc(Nc2cc(Cl)ccn2)c1
Show InChI InChI=1S/C14H14ClN3O2/c1-16-14(19)9-20-12-4-2-3-11(8-12)18-13-7-10(15)5-6-17-13/h2-8H,9H2,1H3,(H,16,19)(H,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



AstraZeneca R&D Boston



Assay Description
Compounds were solubilized in DMSO. Serial 2-fold dilutions covering two concentration ranges, 10 mM to 19.5 μM and 100 μM to 195 nM, were ...


J Biol Chem 289: 21651-62 (2014)


Article DOI: 10.1074/jbc.M114.574061
BindingDB Entry DOI: 10.7270/Q2BG2MVZ
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50338161
PNG
(2-(3,5-dimethyl-6-(4-(methylsulfonyl)benzyl)-6H-th...)
Show SMILES Cc1csc2n(Cc3ccc(cc3)S(C)(=O)=O)c(C)c(CC(O)=O)c12
Show InChI InChI=1S/C18H19NO4S2/c1-11-10-24-18-17(11)15(8-16(20)21)12(2)19(18)9-13-4-6-14(7-5-13)25(3,22)23/h4-7,10H,8-9H2,1-3H3,(H,20,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 21: 1861-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.008
BindingDB Entry DOI: 10.7270/Q2BV7GXW
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50338149
PNG
(2-(6-(4-fluorophenylsulfonyl)-5-methyl-6H-thieno[2...)
Show SMILES Cc1c(CC(O)=O)c2ccsc2n1S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C15H12FNO4S2/c1-9-13(8-14(18)19)12-6-7-22-15(12)17(9)23(20,21)11-4-2-10(16)3-5-11/h2-7H,8H2,1H3,(H,18,19)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.63E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 21: 1861-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.008
BindingDB Entry DOI: 10.7270/Q2BV7GXW
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50338162
PNG
(2-(2,5-dimethyl-6-(4-(methylsulfonyl)benzyl)-6H-th...)
Show SMILES Cc1cc2c(CC(O)=O)c(C)n(Cc3ccc(cc3)S(C)(=O)=O)c2s1
Show InChI InChI=1S/C18H19NO4S2/c1-11-8-16-15(9-17(20)21)12(2)19(18(16)24-11)10-13-4-6-14(7-5-13)25(3,22)23/h4-8H,9-10H2,1-3H3,(H,20,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 21: 1861-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.008
BindingDB Entry DOI: 10.7270/Q2BV7GXW
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50338148
PNG
(2-(5-methyl-6-(phenylsulfonyl)-6H-thieno[2,3-b]pyr...)
Show SMILES Cc1c(CC(O)=O)c2ccsc2n1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H13NO4S2/c1-10-13(9-14(17)18)12-7-8-21-15(12)16(10)22(19,20)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,17,18)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.75E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 21: 1861-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.008
BindingDB Entry DOI: 10.7270/Q2BV7GXW
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50338151
PNG
(2-(6-(4-cyanophenylsulfonyl)-5-methyl-6H-thieno[2,...)
Show SMILES Cc1c(CC(O)=O)c2ccsc2n1S(=O)(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C16H12N2O4S2/c1-10-14(8-15(19)20)13-6-7-23-16(13)18(10)24(21,22)12-4-2-11(9-17)3-5-12/h2-7H,8H2,1H3,(H,19,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 21: 1861-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.008
BindingDB Entry DOI: 10.7270/Q2BV7GXW
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50338164
PNG
(2-(6-(4-(methylsulfonyl)phenylsulfonyl)-6H-thieno[...)
Show SMILES CS(=O)(=O)c1ccc(cc1)S(=O)(=O)n1cc(CC(O)=O)c2ccsc12
Show InChI InChI=1S/C15H13NO6S3/c1-24(19,20)11-2-4-12(5-3-11)25(21,22)16-9-10(8-14(17)18)13-6-7-23-15(13)16/h2-7,9H,8H2,1H3,(H,17,18)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 21: 1861-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.008
BindingDB Entry DOI: 10.7270/Q2BV7GXW
More data for this
Ligand-Target Pair
Phenylalanyl-tRNA synthetase (PheRS)


(Pseudomonas aeruginosa)
BDBM231674
PNG
(N-(2-(1-(methylsulfonyl)cyclopropyl)ethyl)-2-(3-(5...)
Show SMILES CS(=O)(=O)C1(CCNC(=O)COc2cccc(c2)-c2cc([nH]n2)C(F)(F)F)CC1
Show InChI InChI=1S/C18H20F3N3O4S/c1-29(26,27)17(5-6-17)7-8-22-16(25)11-28-13-4-2-3-12(9-13)14-10-15(24-23-14)18(19,20)21/h2-4,9-10H,5-8,11H2,1H3,(H,22,25)(H,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.20E+3n/an/an/an/an/an/a



AstraZeneca R&D Boston



Assay Description
Compounds were solubilized in DMSO. Serial 2-fold dilutions covering two concentration ranges, 10 mM to 19.5 μM and 100 μM to 195 nM, were ...


J Biol Chem 289: 21651-62 (2014)


Article DOI: 10.1074/jbc.M114.574061
BindingDB Entry DOI: 10.7270/Q2BG2MVZ
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50338165
PNG
(2-(4-(4-(methylsulfonyl)phenylsulfonyl)-4H-thieno[...)
Show SMILES CS(=O)(=O)c1ccc(cc1)S(=O)(=O)n1cc(CC(O)=O)c2sccc12
Show InChI InChI=1S/C15H13NO6S3/c1-24(19,20)11-2-4-12(5-3-11)25(21,22)16-9-10(8-14(17)18)15-13(16)6-7-23-15/h2-7,9H,8H2,1H3,(H,17,18)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 21: 1861-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.008
BindingDB Entry DOI: 10.7270/Q2BV7GXW
More data for this
Ligand-Target Pair
Phenylalanyl-tRNA synthetase (PheRS)


(Pseudomonas aeruginosa)
BDBM231670
PNG
(5-(3-Methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazol...)
Show SMILES COc1cccc(c1)-c1cc(n[nH]1)C(F)(F)F
Show InChI InChI=1S/C11H9F3N2O/c1-17-8-4-2-3-7(5-8)9-6-10(16-15-9)11(12,13)14/h2-6H,1H3,(H,15,16)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



AstraZeneca R&D Boston



Assay Description
Compounds were solubilized in DMSO. Serial 2-fold dilutions covering two concentration ranges, 10 mM to 19.5 μM and 100 μM to 195 nM, were ...


J Biol Chem 289: 21651-62 (2014)


Article DOI: 10.1074/jbc.M114.574061
BindingDB Entry DOI: 10.7270/Q2BG2MVZ
More data for this
Ligand-Target Pair
Phenylalanyl-tRNA synthetase (PheRS)


(Pseudomonas aeruginosa)
BDBM231671
PNG
(Ethyl 2-(3-(5-(trifluoromethyl)-1H-pyrazol-3-yl)ph...)
Show SMILES CCOC(=O)COc1cccc(c1)-c1cc([nH]n1)C(F)(F)F
Show InChI InChI=1S/C14H13F3N2O3/c1-2-21-13(20)8-22-10-5-3-4-9(6-10)11-7-12(19-18-11)14(15,16)17/h3-7H,2,8H2,1H3,(H,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



AstraZeneca R&D Boston



Assay Description
Compounds were solubilized in DMSO. Serial 2-fold dilutions covering two concentration ranges, 10 mM to 19.5 μM and 100 μM to 195 nM, were ...


J Biol Chem 289: 21651-62 (2014)


Article DOI: 10.1074/jbc.M114.574061
BindingDB Entry DOI: 10.7270/Q2BG2MVZ
More data for this
Ligand-Target Pair
Lysozyme (hen egg)


(Gallus gallus (chicken))
BDBM50207301
PNG
(CHEMBL3928463)
Show SMILES c1cc2ccccc2n1C(c1ccccc1)n1ccc2ccccc12
Show InChI InChI=1S/C23H18N2/c1-2-10-20(11-3-1)23(24-16-14-18-8-4-6-12-21(18)24)25-17-15-19-9-5-7-13-22(19)25/h1-17,23H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.23E+4n/an/an/an/an/an/a



Payam Noor University

Curated by ChEMBL


Assay Description
Inhibition of heat induced hen egg white lysozyme amyloid fibril formation at pH 2.5 after 48 hrs by Thioflavin T fluorescence based spectrophotometr...


Eur J Med Chem 124: 361-371 (2016)


Article DOI: 10.1016/j.ejmech.2016.08.056
BindingDB Entry DOI: 10.7270/Q29W0HGV
More data for this
Ligand-Target Pair
Phenylalanyl-tRNA synthetase (PheRS)


(Pseudomonas aeruginosa)
BDBM231676
PNG
(2-((4-Chlorophenoxy)methyl)-N-(cyanomethyl)thiazol...)
Show SMILES Clc1ccc(OCc2nc(cs2)C(=O)NCC#N)cc1
Show InChI InChI=1S/C13H10ClN3O2S/c14-9-1-3-10(4-2-9)19-7-12-17-11(8-20-12)13(18)16-6-5-15/h1-4,8H,6-7H2,(H,16,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30E+4n/an/an/an/an/an/a



AstraZeneca R&D Boston



Assay Description
Compounds were solubilized in DMSO. Serial 2-fold dilutions covering two concentration ranges, 10 mM to 19.5 μM and 100 μM to 195 nM, were ...


J Biol Chem 289: 21651-62 (2014)


Article DOI: 10.1074/jbc.M114.574061
BindingDB Entry DOI: 10.7270/Q2BG2MVZ
More data for this
Ligand-Target Pair
Phenylalanyl-tRNA synthetase (PheRS)


(Escherichia coli (Enterobacteria))
BDBM231673
PNG
(2-(3-methoxyphenyl)-5-(trifluoromethyl)-1H-imidazo...)
Show SMILES COc1cccc(c1)-c1ncc([nH]1)C(F)(F)F
Show InChI InChI=1S/C11H9F3N2O/c1-17-8-4-2-3-7(5-8)10-15-6-9(16-10)11(12,13)14/h2-6H,1H3,(H,15,16)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60E+4n/an/an/an/an/an/a



AstraZeneca R&D Boston



Assay Description
Compounds were solubilized in DMSO. Serial 2-fold dilutions covering two concentration ranges, 10 mM to 19.5 μM and 100 μM to 195 nM, were ...


J Biol Chem 289: 21651-62 (2014)


Article DOI: 10.1074/jbc.M114.574061
BindingDB Entry DOI: 10.7270/Q2BG2MVZ
More data for this
Ligand-Target Pair
Phenylalanyl-tRNA synthetase (PheRS)


(Pseudomonas aeruginosa)
BDBM231677
PNG
(2-((4-Chlorophenoxy)methyl)-N-(2-sulfamoylethyl)th...)
Show SMILES NS(=O)(=O)CCNC(=O)c1csc(COc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C13H14ClN3O4S2/c14-9-1-3-10(4-2-9)21-7-12-17-11(8-22-12)13(18)16-5-6-23(15,19)20/h1-4,8H,5-7H2,(H,16,18)(H2,15,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.60E+4n/an/an/an/an/an/a



AstraZeneca R&D Boston



Assay Description
Compounds were solubilized in DMSO. Serial 2-fold dilutions covering two concentration ranges, 10 mM to 19.5 μM and 100 μM to 195 nM, were ...


J Biol Chem 289: 21651-62 (2014)


Article DOI: 10.1074/jbc.M114.574061
BindingDB Entry DOI: 10.7270/Q2BG2MVZ
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50338157
PNG
(2-(6-(4-(N-cyclohexyl-N-methylsulfamoyl)benzyl)-5-...)
Show SMILES CN(C1CCCCC1)S(=O)(=O)c1ccc(Cn2c(C)c(CC(O)=O)c3ccsc23)cc1
Show InChI InChI=1S/C23H28N2O4S2/c1-16-21(14-22(26)27)20-12-13-30-23(20)25(16)15-17-8-10-19(11-9-17)31(28,29)24(2)18-6-4-3-5-7-18/h8-13,18H,3-7,14-15H2,1-2H3,(H,26,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.10E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Dofetilide from human CRTH2 receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 21: 1861-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.008
BindingDB Entry DOI: 10.7270/Q2BV7GXW
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50338158
PNG
(2-(5-methyl-6-(4-(methylsulfonyl)benzyl)-6H-thieno...)
Show SMILES Cc1c(CC(O)=O)c2ccsc2n1Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H17NO4S2/c1-11-15(9-16(19)20)14-7-8-23-17(14)18(11)10-12-3-5-13(6-4-12)24(2,21)22/h3-8H,9-10H2,1-2H3,(H,19,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.10E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Dofetilide from human CRTH2 receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 21: 1861-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.008
BindingDB Entry DOI: 10.7270/Q2BV7GXW
More data for this
Ligand-Target Pair
Phenylalanyl-tRNA synthetase (PheRS)


(Pseudomonas aeruginosa)
BDBM231669
PNG
(2-[3-[(4-Chloro-2-pyridyl)amino]phenoxy]-N-(1,1-di...)
Show SMILES Clc1ccnc(Nc2cccc(OCC(=O)NC3CCS(=O)(=O)C3)c2)c1
Show InChI InChI=1S/C17H18ClN3O4S/c18-12-4-6-19-16(8-12)20-13-2-1-3-15(9-13)25-10-17(22)21-14-5-7-26(23,24)11-14/h1-4,6,8-9,14H,5,7,10-11H2,(H,19,20)(H,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.40E+4n/an/an/an/an/an/a



AstraZeneca R&D Boston



Assay Description
Compounds were solubilized in DMSO. Serial 2-fold dilutions covering two concentration ranges, 10 mM to 19.5 μM and 100 μM to 195 nM, were ...


J Biol Chem 289: 21651-62 (2014)


Article DOI: 10.1074/jbc.M114.574061
BindingDB Entry DOI: 10.7270/Q2BG2MVZ
More data for this
Ligand-Target Pair
Phenylalanyl-tRNA synthetase (PheRS)


(Pseudomonas aeruginosa)
BDBM231668
PNG
(2-(3-(4-Cyanopyridin-2-ylamino)phenoxy)-N-methylac...)
Show SMILES CNC(=O)COc1cccc(Nc2cc(ccn2)C#N)c1
Show InChI InChI=1S/C15H14N4O2/c1-17-15(20)10-21-13-4-2-3-12(8-13)19-14-7-11(9-16)5-6-18-14/h2-8H,10H2,1H3,(H,17,20)(H,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.10E+4n/an/an/an/an/an/a



AstraZeneca R&D Boston



Assay Description
Compounds were solubilized in DMSO. Serial 2-fold dilutions covering two concentration ranges, 10 mM to 19.5 μM and 100 μM to 195 nM, were ...


J Biol Chem 289: 21651-62 (2014)


Article DOI: 10.1074/jbc.M114.574061
BindingDB Entry DOI: 10.7270/Q2BG2MVZ
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50338159
PNG
(2-(6-(2-chloro-4-(methylsulfonyl)benzyl)-5-methyl-...)
Show SMILES Cc1c(CC(O)=O)c2ccsc2n1Cc1ccc(cc1Cl)S(C)(=O)=O
Show InChI InChI=1S/C17H16ClNO4S2/c1-10-14(8-16(20)21)13-5-6-24-17(13)19(10)9-11-3-4-12(7-15(11)18)25(2,22)23/h3-7H,8-9H2,1-2H3,(H,20,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.50E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]Dofetilide from human CRTH2 receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 21: 1861-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.008
BindingDB Entry DOI: 10.7270/Q2BV7GXW
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50338152
PNG
(2-(5-methyl-6-(4-(methylsulfonyl)phenylsulfonyl)-6...)
Show SMILES Cc1c(CC(O)=O)c2ccsc2n1S(=O)(=O)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C16H15NO6S3/c1-10-14(9-15(18)19)13-7-8-24-16(13)17(10)26(22,23)12-5-3-11(4-6-12)25(2,20)21/h3-8H,9H2,1-2H3,(H,18,19)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human DP1 receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 21: 1861-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.008
BindingDB Entry DOI: 10.7270/Q2BV7GXW
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50338159
PNG
(2-(6-(2-chloro-4-(methylsulfonyl)benzyl)-5-methyl-...)
Show SMILES Cc1c(CC(O)=O)c2ccsc2n1Cc1ccc(cc1Cl)S(C)(=O)=O
Show InChI InChI=1S/C17H16ClNO4S2/c1-10-14(8-16(20)21)13-5-6-24-17(13)19(10)9-11-3-4-12(7-15(11)18)25(2,22)23/h3-7H,8-9H2,1-2H3,(H,20,21)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human DP1 receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 21: 1861-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.008
BindingDB Entry DOI: 10.7270/Q2BV7GXW
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50338158
PNG
(2-(5-methyl-6-(4-(methylsulfonyl)benzyl)-6H-thieno...)
Show SMILES Cc1c(CC(O)=O)c2ccsc2n1Cc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H17NO4S2/c1-11-15(9-16(19)20)14-7-8-23-17(14)18(11)10-12-3-5-13(6-4-12)24(2,21)22/h3-8H,9-10H2,1-2H3,(H,19,20)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human DP1 receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 21: 1861-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.008
BindingDB Entry DOI: 10.7270/Q2BV7GXW
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50338157
PNG
(2-(6-(4-(N-cyclohexyl-N-methylsulfamoyl)benzyl)-5-...)
Show SMILES CN(C1CCCCC1)S(=O)(=O)c1ccc(Cn2c(C)c(CC(O)=O)c3ccsc23)cc1
Show InChI InChI=1S/C23H28N2O4S2/c1-16-21(14-22(26)27)20-12-13-30-23(20)25(16)15-17-8-10-19(11-9-17)31(28,29)24(2)18-6-4-3-5-7-18/h8-13,18H,3-7,14-15H2,1-2H3,(H,26,27)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human DP1 receptor expressed in HEK293 cell membranes


Bioorg Med Chem Lett 21: 1861-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.008
BindingDB Entry DOI: 10.7270/Q2BV7GXW
More data for this
Ligand-Target Pair
Phenylalanyl-tRNA synthetase (PheRS)


(Pseudomonas aeruginosa)
BDBM231672
PNG
(Ethyl 2-(3-(3-(difluoromethyl)-1H-pyrazol-5-yl)phe...)
Show SMILES CCOC(=O)COc1cccc(c1)-c1cc(n[nH]1)C(F)F
Show InChI InChI=1S/C14H14F2N2O3/c1-2-20-13(19)8-21-10-5-3-4-9(6-10)11-7-12(14(15)16)18-17-11/h3-7,14H,2,8H2,1H3,(H,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.90E+4n/an/an/an/an/an/a



AstraZeneca R&D Boston



Assay Description
Compounds were solubilized in DMSO. Serial 2-fold dilutions covering two concentration ranges, 10 mM to 19.5 μM and 100 μM to 195 nM, were ...


J Biol Chem 289: 21651-62 (2014)


Article DOI: 10.1074/jbc.M114.574061
BindingDB Entry DOI: 10.7270/Q2BG2MVZ
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 54 total )  |  Next  |  Last  >>
Jump to: