new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 83 hits with Last Name = 'kobayashi' and Initial = 'm'   
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
Enoyl-ACP Reductase (InhA)


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50425950
PNG
(CHEMBL2311561 | Isoniazid-NAD)
Show SMILES NC(=O)C1=CN(C=C[C@H]1C(=O)c1ccncc1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r,c:6,t:3|
Show InChI InChI=1S/C27H32N8O15P2/c28-23-17-25(32-10-31-23)35(11-33-17)27-22(40)20(38)16(49-27)9-47-52(44,45)50-51(42,43)46-8-15-19(37)21(39)26(48-15)34-6-3-13(14(7-34)24(29)41)18(36)12-1-4-30-5-2-12/h1-7,10-11,13,15-16,19-22,26-27,37-40H,8-9H2,(H2,29,41)(H,42,43)(H,44,45)(H2,28,31,32)/t13-,15-,16-,19-,20-,21-,22-,26-,27-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
0.75n/an/an/an/an/an/an/an/a



Kyushu Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis InhA


Eur J Med Chem 60: 333-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.012
BindingDB Entry DOI: 10.7270/Q2DZ09MS
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM85786
PNG
(KUR-1246)
Show SMILES CN(C)C(=O)COc1ccc2CC[C@@H](Cc2c1)NC[C@H](O)c1ccc(O)c(CCO)c1
Show InChI InChI=1S/C24H32N2O5/c1-26(2)24(30)15-31-21-7-4-16-3-6-20(12-19(16)13-21)25-14-23(29)17-5-8-22(28)18(11-17)9-10-27/h4-5,7-8,11,13,20,23,25,27-29H,3,6,9-10,12,14-15H2,1-2H3/t20-,23-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PubMed
25.7n/an/an/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 297: 666-71 (2001)


BindingDB Entry DOI: 10.7270/Q2D798Z1
More data for this
Ligand-Target Pair
Lignostilbene alpha, beta-dioxygenase


(Pseudomonas paucimobilis)
BDBM50111620
PNG
(4-((Z)-1-Fluoro-2-phenyl-vinyl)-phenol | CHEMBL147...)
Show SMILES Oc1ccc(cc1)C(\F)=C\c1ccccc1
Show InChI InChI=1S/C14H11FO/c15-14(10-11-4-2-1-3-5-11)12-6-8-13(16)9-7-12/h1-10,16H/b14-10-
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
980n/an/an/an/an/an/an/an/a



RIKEN

Curated by ChEMBL


Assay Description
Tested for the inhibition of Lignostilbene-alpha, beta-dioxygenase (LSD)


Bioorg Med Chem Lett 12: 1139-42 (2002)


BindingDB Entry DOI: 10.7270/Q2KS6QV0
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM85786
PNG
(KUR-1246)
Show SMILES CN(C)C(=O)COc1ccc2CC[C@@H](Cc2c1)NC[C@H](O)c1ccc(O)c(CCO)c1
Show InChI InChI=1S/C24H32N2O5/c1-26(2)24(30)15-31-21-7-4-16-3-6-20(12-19(16)13-21)25-14-23(29)17-5-8-22(28)18(11-17)9-10-27/h4-5,7-8,11,13,20,23,25,27-29H,3,6,9-10,12,14-15H2,1-2H3/t20-,23-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 297: 666-71 (2001)


BindingDB Entry DOI: 10.7270/Q2D798Z1
More data for this
Ligand-Target Pair
Thymidylate kinase


(Mycobacterium tuberculosis)
BDBM50131916
PNG
(Phosphoric acid mono-[3-azidomethyl-5-(5-methyl-2,...)
Show SMILES Cc1cn([C@H]2C[C@H](CN=[N+]=[N-])[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H16N5O7P/c1-6-4-16(11(18)14-10(6)17)9-2-7(3-13-15-12)8(23-9)5-22-24(19,20)21/h4,7-9H,2-3,5H2,1H3,(H,14,17,18)(H2,19,20,21)/p-2/t7-,8-,9-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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



Kyushu Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis thymidine monophosphate kinase


Eur J Med Chem 60: 333-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.012
BindingDB Entry DOI: 10.7270/Q2DZ09MS
More data for this
Ligand-Target Pair
Thymidylate kinase


(Mycobacterium tuberculosis)
BDBM50131914
PNG
(Phosphoric acid mono-[3-aminomethyl-5-(5-methyl-2,...)
Show SMILES Cc1cn([C@H]2C[C@H](CN)[C@@H](COP([O-])([O-])=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H18N3O7P/c1-6-4-14(11(16)13-10(6)15)9-2-7(3-12)8(21-9)5-20-22(17,18)19/h4,7-9H,2-3,5,12H2,1H3,(H,13,15,16)(H2,17,18,19)/p-2/t7-,8-,9-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.05E+4n/an/an/an/an/an/an/an/a



Kyushu Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis thymidine monophosphate kinase


Eur J Med Chem 60: 333-9 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.012
BindingDB Entry DOI: 10.7270/Q2DZ09MS
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50362167
PNG
(CHEMBL1941129)
Show SMILES COc1ccc(cc1)C(=O)N(CCCc1cccc(OCC(O)=O)c1)CCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C34H35NO5/c1-39-30-19-17-29(18-20-30)34(38)35(22-9-11-26-10-8-16-31(24-26)40-25-33(36)37)23-21-32(27-12-4-2-5-13-27)28-14-6-3-7-15-28/h2-8,10,12-20,24,32H,9,11,21-23,25H2,1H3,(H,36,37)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 5.5n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 1194-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.079
BindingDB Entry DOI: 10.7270/Q2765FSF
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50362160
PNG
(CHEMBL1941121)
Show SMILES COc1ccc(cc1)C(c1ccc(OC)cc1)c1ccc(=O)n(CCCc2cccc(OCC(O)=O)c2)c1
Show InChI InChI=1S/C31H31NO6/c1-36-26-13-8-23(9-14-26)31(24-10-15-27(37-2)16-11-24)25-12-17-29(33)32(20-25)18-4-6-22-5-3-7-28(19-22)38-21-30(34)35/h3,5,7-17,19-20,31H,4,6,18,21H2,1-2H3,(H,34,35)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 5.80n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 1194-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.079
BindingDB Entry DOI: 10.7270/Q2765FSF
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50362159
PNG
(CHEMBL1941120)
Show SMILES Cc1ccc(cc1)C(c1ccc(C)cc1)c1ccc(=O)n(CCCc2cccc(OCC(O)=O)c2)c1
Show InChI InChI=1S/C31H31NO4/c1-22-8-12-25(13-9-22)31(26-14-10-23(2)11-15-26)27-16-17-29(33)32(20-27)18-4-6-24-5-3-7-28(19-24)36-21-30(34)35/h3,5,7-17,19-20,31H,4,6,18,21H2,1-2H3,(H,34,35)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 6.20n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 1194-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.079
BindingDB Entry DOI: 10.7270/Q2765FSF
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50362158
PNG
(CHEMBL1941119)
Show SMILES OC(=O)COc1cccc(CCCn2cc(ccc2=O)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C29H25Cl2NO4/c30-24-11-6-21(7-12-24)29(22-8-13-25(31)14-9-22)23-10-15-27(33)32(18-23)16-2-4-20-3-1-5-26(17-20)36-19-28(34)35/h1,3,5-15,17-18,29H,2,4,16,19H2,(H,34,35)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 9.20n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 1194-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.079
BindingDB Entry DOI: 10.7270/Q2765FSF
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50362166
PNG
(CHEMBL1941128)
Show SMILES OC(=O)COc1cccc(CCCN(CCC(c2ccccc2)c2ccccc2)C(=O)c2ccccc2)c1
Show InChI InChI=1S/C33H33NO4/c35-32(36)25-38-30-20-10-12-26(24-30)13-11-22-34(33(37)29-18-8-3-9-19-29)23-21-31(27-14-4-1-5-15-27)28-16-6-2-7-17-28/h1-10,12,14-20,24,31H,11,13,21-23,25H2,(H,35,36)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 9.70n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 1194-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.079
BindingDB Entry DOI: 10.7270/Q2765FSF
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50362164
PNG
(CHEMBL1941126)
Show SMILES OC(=O)CCCOc1cccc(CCCn2cc(ccc2=O)C(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C31H31NO4/c33-29-19-18-27(31(25-12-3-1-4-13-25)26-14-5-2-6-15-26)23-32(29)20-8-11-24-10-7-16-28(22-24)36-21-9-17-30(34)35/h1-7,10,12-16,18-19,22-23,31H,8-9,11,17,20-21H2,(H,34,35)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 1194-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.079
BindingDB Entry DOI: 10.7270/Q2765FSF
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50362157
PNG
(CHEMBL1941118)
Show SMILES OC(=O)COc1cccc(CCCn2cc(ccc2=O)C(c2ccc(F)cc2)c2ccc(F)cc2)c1
Show InChI InChI=1S/C29H25F2NO4/c30-24-11-6-21(7-12-24)29(22-8-13-25(31)14-9-22)23-10-15-27(33)32(18-23)16-2-4-20-3-1-5-26(17-20)36-19-28(34)35/h1,3,5-15,17-18,29H,2,4,16,19H2,(H,34,35)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 1194-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.079
BindingDB Entry DOI: 10.7270/Q2765FSF
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50362165
PNG
(CHEMBL1941127)
Show SMILES OC(=O)CCCOc1cccc(CCCn2nc(ccc2=O)C(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C30H30N2O4/c33-28-19-18-27(30(24-12-3-1-4-13-24)25-14-5-2-6-15-25)31-32(28)20-8-11-23-10-7-16-26(22-23)36-21-9-17-29(34)35/h1-7,10,12-16,18-19,22,30H,8-9,11,17,20-21H2,(H,34,35)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 1194-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.079
BindingDB Entry DOI: 10.7270/Q2765FSF
More data for this
Ligand-Target Pair
Chemoattractant receptor-homologous molecule expressed on Th2 cells


(Cavia porcellus)
BDBM50362167
PNG
(CHEMBL1941129)
Show SMILES COc1ccc(cc1)C(=O)N(CCCc1cccc(OCC(O)=O)c1)CCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C34H35NO5/c1-39-30-19-17-29(18-20-30)34(38)35(22-9-11-26-10-8-16-31(24-26)40-25-33(36)37)23-21-32(27-12-4-2-5-13-27)28-14-6-3-7-15-28/h2-8,10,12-20,24,32H,9,11,21-23,25H2,1H3,(H,36,37)
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from guinea pig CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 1194-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.079
BindingDB Entry DOI: 10.7270/Q2765FSF
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50362162
PNG
(CHEMBL1941123)
Show SMILES CC(Oc1cccc(CCCn2cc(ccc2=O)C(c2ccccc2)c2ccccc2)c1)C(O)=O
Show InChI InChI=1S/C30H29NO4/c1-22(30(33)34)35-27-16-8-10-23(20-27)11-9-19-31-21-26(17-18-28(31)32)29(24-12-4-2-5-13-24)25-14-6-3-7-15-25/h2-8,10,12-18,20-22,29H,9,11,19H2,1H3,(H,33,34)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 1194-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.079
BindingDB Entry DOI: 10.7270/Q2765FSF
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50362156
PNG
(CHEMBL1941117)
Show SMILES OC(=O)COc1cccc(CCCn2nc(ccc2=O)C(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C28H26N2O4/c31-26-17-16-25(28(22-11-3-1-4-12-22)23-13-5-2-6-14-23)29-30(26)18-8-10-21-9-7-15-24(19-21)34-20-27(32)33/h1-7,9,11-17,19,28H,8,10,18,20H2,(H,32,33)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 1194-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.079
BindingDB Entry DOI: 10.7270/Q2765FSF
More data for this
Ligand-Target Pair
Chemoattractant receptor-homologous molecule expressed on Th2 cells


(Cavia porcellus)
BDBM50362166
PNG
(CHEMBL1941128)
Show SMILES OC(=O)COc1cccc(CCCN(CCC(c2ccccc2)c2ccccc2)C(=O)c2ccccc2)c1
Show InChI InChI=1S/C33H33NO4/c35-32(36)25-38-30-20-10-12-26(24-30)13-11-22-34(33(37)29-18-8-3-9-19-29)23-21-31(27-14-4-1-5-15-27)28-16-6-2-7-17-28/h1-10,12,14-20,24,31H,11,13,21-23,25H2,(H,35,36)
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from guinea pig CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 1194-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.079
BindingDB Entry DOI: 10.7270/Q2765FSF
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50362155
PNG
(CHEMBL1941116)
Show SMILES OC(=O)COc1cccc(CCCn2cc(ccc2=O)C(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C29H27NO4/c31-27-17-16-25(29(23-11-3-1-4-12-23)24-13-5-2-6-14-24)20-30(27)18-8-10-22-9-7-15-26(19-22)34-21-28(32)33/h1-7,9,11-17,19-20,29H,8,10,18,21H2,(H,32,33)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 42n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 1194-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.079
BindingDB Entry DOI: 10.7270/Q2765FSF
More data for this
Ligand-Target Pair
Chemoattractant receptor-homologous molecule expressed on Th2 cells


(Cavia porcellus)
BDBM50362165
PNG
(CHEMBL1941127)
Show SMILES OC(=O)CCCOc1cccc(CCCn2nc(ccc2=O)C(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C30H30N2O4/c33-28-19-18-27(30(24-12-3-1-4-13-24)25-14-5-2-6-15-25)31-32(28)20-8-11-23-10-7-16-26(22-23)36-21-9-17-29(34)35/h1-7,10,12-16,18-19,22,30H,8-9,11,17,20-21H2,(H,34,35)
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 52n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from guinea pig CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 1194-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.079
BindingDB Entry DOI: 10.7270/Q2765FSF
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50362161
PNG
(CHEMBL1941122)
Show SMILES OC(=O)COc1cccc(OCCn2cc(ccc2=O)C(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C28H25NO5/c30-26-15-14-23(28(21-8-3-1-4-9-21)22-10-5-2-6-11-22)19-29(26)16-17-33-24-12-7-13-25(18-24)34-20-27(31)32/h1-15,18-19,28H,16-17,20H2,(H,31,32)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 99n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 1194-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.079
BindingDB Entry DOI: 10.7270/Q2765FSF
More data for this
Ligand-Target Pair
Chemoattractant receptor-homologous molecule expressed on Th2 cells


(Cavia porcellus)
BDBM50362164
PNG
(CHEMBL1941126)
Show SMILES OC(=O)CCCOc1cccc(CCCn2cc(ccc2=O)C(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C31H31NO4/c33-29-19-18-27(31(25-12-3-1-4-13-25)26-14-5-2-6-15-26)23-32(29)20-8-11-24-10-7-16-28(22-24)36-21-9-17-30(34)35/h1-7,10,12-16,18-19,22-23,31H,8-9,11,17,20-21H2,(H,34,35)
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 99n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from guinea pig CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 1194-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.079
BindingDB Entry DOI: 10.7270/Q2765FSF
More data for this
Ligand-Target Pair
Chemoattractant receptor-homologous molecule expressed on Th2 cells


(Cavia porcellus)
BDBM50362162
PNG
(CHEMBL1941123)
Show SMILES CC(Oc1cccc(CCCn2cc(ccc2=O)C(c2ccccc2)c2ccccc2)c1)C(O)=O
Show InChI InChI=1S/C30H29NO4/c1-22(30(33)34)35-27-16-8-10-23(20-27)11-9-19-31-21-26(17-18-28(31)32)29(24-12-4-2-5-13-24)25-14-6-3-7-15-25/h2-8,10,12-18,20-22,29H,9,11,19H2,1H3,(H,33,34)
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 128n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from guinea pig CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 1194-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.079
BindingDB Entry DOI: 10.7270/Q2765FSF
More data for this
Ligand-Target Pair
Chemoattractant receptor-homologous molecule expressed on Th2 cells


(Cavia porcellus)
BDBM50362156
PNG
(CHEMBL1941117)
Show SMILES OC(=O)COc1cccc(CCCn2nc(ccc2=O)C(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C28H26N2O4/c31-26-17-16-25(28(22-11-3-1-4-12-22)23-13-5-2-6-14-23)29-30(26)18-8-10-21-9-7-15-24(19-21)34-20-27(32)33/h1-7,9,11-17,19,28H,8,10,18,20H2,(H,32,33)
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 147n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from guinea pig CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 1194-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.079
BindingDB Entry DOI: 10.7270/Q2765FSF
More data for this
Ligand-Target Pair
Chemoattractant receptor-homologous molecule expressed on Th2 cells


(Cavia porcellus)
BDBM50362160
PNG
(CHEMBL1941121)
Show SMILES COc1ccc(cc1)C(c1ccc(OC)cc1)c1ccc(=O)n(CCCc2cccc(OCC(O)=O)c2)c1
Show InChI InChI=1S/C31H31NO6/c1-36-26-13-8-23(9-14-26)31(24-10-15-27(37-2)16-11-24)25-12-17-29(33)32(20-25)18-4-6-22-5-3-7-28(19-22)38-21-30(34)35/h3,5,7-17,19-20,31H,4,6,18,21H2,1-2H3,(H,34,35)
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 211n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from guinea pig CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 1194-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.079
BindingDB Entry DOI: 10.7270/Q2765FSF
More data for this
Ligand-Target Pair
Chemoattractant receptor-homologous molecule expressed on Th2 cells


(Cavia porcellus)
BDBM50362155
PNG
(CHEMBL1941116)
Show SMILES OC(=O)COc1cccc(CCCn2cc(ccc2=O)C(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C29H27NO4/c31-27-17-16-25(29(23-11-3-1-4-12-23)24-13-5-2-6-14-24)20-30(27)18-8-10-22-9-7-15-26(19-22)34-21-28(32)33/h1-7,9,11-17,19-20,29H,8,10,18,21H2,(H,32,33)
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 256n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from guinea pig CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 1194-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.079
BindingDB Entry DOI: 10.7270/Q2765FSF
More data for this
Ligand-Target Pair
Chemoattractant receptor-homologous molecule expressed on Th2 cells


(Cavia porcellus)
BDBM50362157
PNG
(CHEMBL1941118)
Show SMILES OC(=O)COc1cccc(CCCn2cc(ccc2=O)C(c2ccc(F)cc2)c2ccc(F)cc2)c1
Show InChI InChI=1S/C29H25F2NO4/c30-24-11-6-21(7-12-24)29(22-8-13-25(31)14-9-22)23-10-15-27(33)32(18-23)16-2-4-20-3-1-5-26(17-20)36-19-28(34)35/h1,3,5-15,17-18,29H,2,4,16,19H2,(H,34,35)
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 359n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from guinea pig CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 1194-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.079
BindingDB Entry DOI: 10.7270/Q2765FSF
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50362163
PNG
(CHEMBL1941124)
Show SMILES CCC(Oc1cccc(CCCn2cc(ccc2=O)C(c2ccccc2)c2ccccc2)c1)C(O)=O
Show InChI InChI=1S/C31H31NO4/c1-2-28(31(34)35)36-27-17-9-11-23(21-27)12-10-20-32-22-26(18-19-29(32)33)30(24-13-5-3-6-14-24)25-15-7-4-8-16-25/h3-9,11,13-19,21-22,28,30H,2,10,12,20H2,1H3,(H,34,35)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 502n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 1194-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.079
BindingDB Entry DOI: 10.7270/Q2765FSF
More data for this
Ligand-Target Pair
Chemoattractant receptor-homologous molecule expressed on Th2 cells


(Cavia porcellus)
BDBM50362159
PNG
(CHEMBL1941120)
Show SMILES Cc1ccc(cc1)C(c1ccc(C)cc1)c1ccc(=O)n(CCCc2cccc(OCC(O)=O)c2)c1
Show InChI InChI=1S/C31H31NO4/c1-22-8-12-25(13-9-22)31(26-14-10-23(2)11-15-26)27-16-17-29(33)32(20-27)18-4-6-24-5-3-7-28(19-24)36-21-30(34)35/h3,5,7-17,19-20,31H,4,6,18,21H2,1-2H3,(H,34,35)
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 772n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from guinea pig CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 1194-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.079
BindingDB Entry DOI: 10.7270/Q2765FSF
More data for this
Ligand-Target Pair
Chemoattractant receptor-homologous molecule expressed on Th2 cells


(Cavia porcellus)
BDBM50362161
PNG
(CHEMBL1941122)
Show SMILES OC(=O)COc1cccc(OCCn2cc(ccc2=O)C(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C28H25NO5/c30-26-15-14-23(28(21-8-3-1-4-9-21)22-10-5-2-6-11-22)19-29(26)16-17-33-24-12-7-13-25(18-24)34-20-27(31)32/h1-15,18-19,28H,16-17,20H2,(H,31,32)
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 797n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from guinea pig CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 1194-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.079
BindingDB Entry DOI: 10.7270/Q2765FSF
More data for this
Ligand-Target Pair
Chemoattractant receptor-homologous molecule expressed on Th2 cells


(Cavia porcellus)
BDBM50362163
PNG
(CHEMBL1941124)
Show SMILES CCC(Oc1cccc(CCCn2cc(ccc2=O)C(c2ccccc2)c2ccccc2)c1)C(O)=O
Show InChI InChI=1S/C31H31NO4/c1-2-28(31(34)35)36-27-17-9-11-23(21-27)12-10-20-32-22-26(18-19-29(32)33)30(24-13-5-3-6-14-24)25-15-7-4-8-16-25/h3-9,11,13-19,21-22,28,30H,2,10,12,20H2,1H3,(H,34,35)
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 990n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from guinea pig CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 1194-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.079
BindingDB Entry DOI: 10.7270/Q2765FSF
More data for this
Ligand-Target Pair
Chemoattractant receptor-homologous molecule expressed on Th2 cells


(Cavia porcellus)
BDBM50362158
PNG
(CHEMBL1941119)
Show SMILES OC(=O)COc1cccc(CCCn2cc(ccc2=O)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C29H25Cl2NO4/c30-24-11-6-21(7-12-24)29(22-8-13-25(31)14-9-22)23-10-15-27(33)32(18-23)16-2-4-20-3-1-5-26(17-20)36-19-28(34)35/h1,3,5-15,17-18,29H,2,4,16,19H2,(H,34,35)
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from guinea pig CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 1194-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.079
BindingDB Entry DOI: 10.7270/Q2765FSF
More data for this
Ligand-Target Pair
Chemoattractant receptor-homologous molecule expressed on Th2 cells


(Cavia porcellus)
BDBM50362168
PNG
(CHEMBL1941125)
Show SMILES CC(C)(Oc1cccc(CCCn2cc(ccc2=O)C(c2ccccc2)c2ccccc2)c1)C(O)=O
Show InChI InChI=1S/C31H31NO4/c1-31(2,30(34)35)36-27-17-9-11-23(21-27)12-10-20-32-22-26(18-19-28(32)33)29(24-13-5-3-6-14-24)25-15-7-4-8-16-25/h3-9,11,13-19,21-22,29H,10,12,20H2,1-2H3,(H,34,35)
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from guinea pig CRTH2 receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 1194-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.079
BindingDB Entry DOI: 10.7270/Q2765FSF
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50362155
PNG
(CHEMBL1941116)
Show SMILES OC(=O)COc1cccc(CCCn2cc(ccc2=O)C(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C29H27NO4/c31-27-17-16-25(29(23-11-3-1-4-12-23)24-13-5-2-6-14-24)20-30(27)18-8-10-22-9-7-15-26(19-22)34-21-28(32)33/h1-7,9,11-17,19-20,29H,8,10,18,21H2,(H,32,33)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human DP1 receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 1194-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.079
BindingDB Entry DOI: 10.7270/Q2765FSF
More data for this
Ligand-Target Pair
Lignostilbene alpha, beta-dioxygenase


(Pseudomonas paucimobilis)
BDBM50111620
PNG
(4-((Z)-1-Fluoro-2-phenyl-vinyl)-phenol | CHEMBL147...)
Show SMILES Oc1ccc(cc1)C(\F)=C\c1ccccc1
Show InChI InChI=1S/C14H11FO/c15-14(10-11-4-2-1-3-5-11)12-6-8-13(16)9-7-12/h1-10,16H/b14-10-
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



RIKEN

Curated by ChEMBL


Assay Description
Inhibitory concentration against Lignostilbene-alpha, beta-dioxygenase (LSD) was determined in 2 mL of 50 mM HCl buffer containing 4 microg enzyme/mL...


Bioorg Med Chem Lett 12: 1139-42 (2002)


BindingDB Entry DOI: 10.7270/Q2KS6QV0
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50362165
PNG
(CHEMBL1941127)
Show SMILES OC(=O)CCCOc1cccc(CCCn2nc(ccc2=O)C(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C30H30N2O4/c33-28-19-18-27(30(24-12-3-1-4-13-24)25-14-5-2-6-15-25)31-32(28)20-8-11-23-10-7-16-26(22-23)36-21-9-17-29(34)35/h1-7,10,12-16,18-19,22,30H,8-9,11,17,20-21H2,(H,34,35)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 5.20E+3n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human DP1 receptor expressed in HEK293 cells after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 1194-7 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.079
BindingDB Entry DOI: 10.7270/Q2765FSF
More data for this
Ligand-Target Pair
Lignostilbene alpha, beta-dioxygenase


(Pseudomonas paucimobilis)
BDBM50111617
PNG
(4-((Z)-2-Phenyl-propenyl)-phenol | CHEMBL15016)
Show SMILES C\C(=C\c1ccc(O)cc1)c1ccccc1
Show InChI InChI=1S/C15H14O/c1-12(14-5-3-2-4-6-14)11-13-7-9-15(16)10-8-13/h2-11,16H,1H3/b12-11-
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 7.00E+3n/an/an/an/an/an/a



RIKEN

Curated by ChEMBL


Assay Description
Inhibitory concentration against Lignostilbene alpha beta-dioxygenase (LSD) was determined in 2 mL of 50 mM HCl buffer containing 4 microg enzyme/mL ...


Bioorg Med Chem Lett 12: 1139-42 (2002)


BindingDB Entry DOI: 10.7270/Q2KS6QV0
More data for this
Ligand-Target Pair
Lignostilbene alpha, beta-dioxygenase


(Pseudomonas paucimobilis)
BDBM50111618
PNG
(4-Isopropenyl-phenol | CHEMBL277808)
Show SMILES CC(=C)c1ccc(O)cc1
Show InChI InChI=1S/C9H10O/c1-7(2)8-3-5-9(10)6-4-8/h3-6,10H,1H2,2H3
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



RIKEN

Curated by ChEMBL


Assay Description
Inhibitory concentration against Lignostilbene-alpha, beta-dioxygenase (LSD) was determined in 2 mL of 50 mM HCl buffer containing 4 microg enzyme/mL...


Bioorg Med Chem Lett 12: 1139-42 (2002)


BindingDB Entry DOI: 10.7270/Q2KS6QV0
More data for this
Ligand-Target Pair
Lignostilbene alpha, beta-dioxygenase


(Pseudomonas paucimobilis)
BDBM50111621
PNG
(4-((E)-2-Phenyl-propenyl)-phenol | CHEMBL417621)
Show SMILES C\C(=C/c1ccc(O)cc1)c1ccccc1
Show InChI InChI=1S/C15H14O/c1-12(14-5-3-2-4-6-14)11-13-7-9-15(16)10-8-13/h2-11,16H,1H3/b12-11+
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



RIKEN

Curated by ChEMBL


Assay Description
Inhibitory concentration against Lignostilbene-alpha, beta-dioxygenase (LSD) was determined in 2 mL of 50 mM HCl buffer containing 4 microg enzyme/mL...


Bioorg Med Chem Lett 12: 1139-42 (2002)


BindingDB Entry DOI: 10.7270/Q2KS6QV0
More data for this
Ligand-Target Pair
Lignostilbene alpha, beta-dioxygenase


(Pseudomonas paucimobilis)
BDBM50111619
PNG
(1,2-diphenyl-(Z)-1-propene | CHEMBL14933)
Show SMILES C\C(=C\c1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H14/c1-13(15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-12H,1H3/b13-12-
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.20E+4n/an/an/an/an/an/a



RIKEN

Curated by ChEMBL


Assay Description
Inhibitory concentration against Lignostilbene alpha beta-dioxygenase (LSD) was determined in 2 mL of 50 mM HCl buffer containing 4 microg enzyme/mL ...


Bioorg Med Chem Lett 12: 1139-42 (2002)


BindingDB Entry DOI: 10.7270/Q2KS6QV0
More data for this
Ligand-Target Pair
Lignostilbene alpha, beta-dioxygenase


(Pseudomonas paucimobilis)
BDBM50111623
PNG
(1,2-diphenyl-(Z)-1-ethenyl fluoride | CHEMBL15130)
Show SMILES F\C(=C/c1ccccc1)c1ccccc1
Show InChI InChI=1S/C14H11F/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-11H/b14-11-
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



RIKEN

Curated by ChEMBL


Assay Description
Inhibitory concentration against Lignostilbene-alpha, beta-dioxygenase (LSD) was determined in 2 mL of 50 mM HCl buffer containing 4 microg enzyme/mL...


Bioorg Med Chem Lett 12: 1139-42 (2002)


BindingDB Entry DOI: 10.7270/Q2KS6QV0
More data for this
Ligand-Target Pair
Lignostilbene alpha, beta-dioxygenase


(Pseudomonas paucimobilis)
BDBM50111622
PNG
(1,2-diphenyl-(E)-1-propene | CHEMBL14773)
Show SMILES C\C(=C/c1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H14/c1-13(15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-12H,1H3/b13-12+
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



RIKEN

Curated by ChEMBL


Assay Description
Inhibitory concentration against Lignostilbene-alpha, beta-dioxygenase (LSD) was determined in 2 mL of 50 mM HCl buffer containing 4 microg enzyme/mL...


Bioorg Med Chem Lett 12: 1139-42 (2002)


BindingDB Entry DOI: 10.7270/Q2KS6QV0
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50339460
PNG
(3-[4-(Biphenyl-3-ylmethoxy)phenyl]propanoic Acid |...)
Show SMILES OC(=O)CCc1ccc(OCc2cccc(c2)-c2ccccc2)cc1
Show InChI InChI=1S/C22H20O3/c23-22(24)14-11-17-9-12-21(13-10-17)25-16-18-5-4-8-20(15-18)19-6-2-1-3-7-19/h1-10,12-13,15H,11,14,16H2,(H,23,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 260n/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity against human GPR40 expressed in CHO cells assessed as increase in intracellular calcium level by FLIPR assay in presence of 0.1% BS...


J Med Chem 54: 1365-78 (2011)


Article DOI: 10.1021/jm101405t
BindingDB Entry DOI: 10.7270/Q2251JG7
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50339461
PNG
(3-{4-[(3-Phenoxybenzyl)oxy]phenyl}propanoic Acid |...)
Show SMILES OC(=O)CCc1ccc(OCc2cccc(Oc3ccccc3)c2)cc1
Show InChI InChI=1S/C22H20O4/c23-22(24)14-11-17-9-12-19(13-10-17)25-16-18-5-4-8-21(15-18)26-20-6-2-1-3-7-20/h1-10,12-13,15H,11,14,16H2,(H,23,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 34n/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity against human GPR40 expressed in CHO cells assessed as increase in intracellular calcium level by FLIPR assay in presence of 0.1% BS...


J Med Chem 54: 1365-78 (2011)


Article DOI: 10.1021/jm101405t
BindingDB Entry DOI: 10.7270/Q2251JG7
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50339462
PNG
(3-(4-{[3-(4-Methylphenoxy)benzyl]oxy}phenyl)propan...)
Show SMILES Cc1ccc(Oc2cccc(COc3ccc(CCC(O)=O)cc3)c2)cc1
Show InChI InChI=1S/C23H22O4/c1-17-5-10-21(11-6-17)27-22-4-2-3-19(15-22)16-26-20-12-7-18(8-13-20)9-14-23(24)25/h2-8,10-13,15H,9,14,16H2,1H3,(H,24,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 40n/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity against human GPR40 expressed in CHO cells assessed as increase in intracellular calcium level by FLIPR assay in presence of 0.1% BS...


J Med Chem 54: 1365-78 (2011)


Article DOI: 10.1021/jm101405t
BindingDB Entry DOI: 10.7270/Q2251JG7
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50339463
PNG
(3-(4-{[3-(3-Methylphenoxy)benzyl]oxy}phenyl)propan...)
Show SMILES Cc1cccc(Oc2cccc(COc3ccc(CCC(O)=O)cc3)c2)c1
Show InChI InChI=1S/C23H22O4/c1-17-4-2-6-21(14-17)27-22-7-3-5-19(15-22)16-26-20-11-8-18(9-12-20)10-13-23(24)25/h2-9,11-12,14-15H,10,13,16H2,1H3,(H,24,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 45n/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity against human GPR40 expressed in CHO cells assessed as increase in intracellular calcium level by FLIPR assay in presence of 0.1% BS...


J Med Chem 54: 1365-78 (2011)


Article DOI: 10.1021/jm101405t
BindingDB Entry DOI: 10.7270/Q2251JG7
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50339464
PNG
(3-(4-{[3-(2-Methylphenoxy)benzyl]oxy}phenyl)propan...)
Show SMILES Cc1ccccc1Oc1cccc(COc2ccc(CCC(O)=O)cc2)c1
Show InChI InChI=1S/C23H22O4/c1-17-5-2-3-8-22(17)27-21-7-4-6-19(15-21)16-26-20-12-9-18(10-13-20)11-14-23(24)25/h2-10,12-13,15H,11,14,16H2,1H3,(H,24,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 38n/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity against human GPR40 expressed in CHO cells assessed as increase in intracellular calcium level by FLIPR assay in presence of 0.1% BS...


J Med Chem 54: 1365-78 (2011)


Article DOI: 10.1021/jm101405t
BindingDB Entry DOI: 10.7270/Q2251JG7
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50339465
PNG
(3-(4-{[3-(2,6-Dimethylphenoxy)benzyl]oxy}phenyl)pr...)
Show SMILES Cc1cccc(C)c1Oc1cccc(COc2ccc(CCC(O)=O)cc2)c1
Show InChI InChI=1S/C24H24O4/c1-17-5-3-6-18(2)24(17)28-22-8-4-7-20(15-22)16-27-21-12-9-19(10-13-21)11-14-23(25)26/h3-10,12-13,15H,11,14,16H2,1-2H3,(H,25,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 47n/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity against human GPR40 expressed in CHO cells assessed as increase in intracellular calcium level by FLIPR assay in presence of 0.1% BS...


J Med Chem 54: 1365-78 (2011)


Article DOI: 10.1021/jm101405t
BindingDB Entry DOI: 10.7270/Q2251JG7
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50339466
PNG
(3-{4-[(4'-Methylbiphenyl-3-yl)methoxy]phenyl}propa...)
Show SMILES Cc1ccc(cc1)-c1cccc(COc2ccc(CCC(O)=O)cc2)c1
Show InChI InChI=1S/C23H22O3/c1-17-5-10-20(11-6-17)21-4-2-3-19(15-21)16-26-22-12-7-18(8-13-22)9-14-23(24)25/h2-8,10-13,15H,9,14,16H2,1H3,(H,24,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 120n/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity against human GPR40 expressed in CHO cells assessed as increase in intracellular calcium level by FLIPR assay in presence of 0.1% BS...


J Med Chem 54: 1365-78 (2011)


Article DOI: 10.1021/jm101405t
BindingDB Entry DOI: 10.7270/Q2251JG7
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50339467
PNG
(3-{4-[(3'-Methylbiphenyl-3-yl)methoxy]phenyl}propa...)
Show SMILES Cc1cccc(c1)-c1cccc(COc2ccc(CCC(O)=O)cc2)c1
Show InChI InChI=1S/C23H22O3/c1-17-4-2-6-20(14-17)21-7-3-5-19(15-21)16-26-22-11-8-18(9-12-22)10-13-23(24)25/h2-9,11-12,14-15H,10,13,16H2,1H3,(H,24,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 240n/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Agonist activity against human GPR40 expressed in CHO cells assessed as increase in intracellular calcium level by FLIPR assay in presence of 0.1% BS...


J Med Chem 54: 1365-78 (2011)


Article DOI: 10.1021/jm101405t
BindingDB Entry DOI: 10.7270/Q2251JG7
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 83 total )  |  Next  |  Last  >>
Jump to: