Found 79 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50357127
(CHEMBL1917440)Show SMILES Cc1c(Sc2ccc(Cl)cc2)c2c(cccc2n1CC(O)=O)-c1cnccn1 Show InChI InChI=1S/C21H16ClN3O2S/c1-13-21(28-15-7-5-14(22)6-8-15)20-16(17-11-23-9-10-24-17)3-2-4-18(20)25(13)12-19(26)27/h2-11H,12H2,1H3,(H,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50357125
(CHEMBL1917438)Show SMILES Cc1c(Sc2ccc(Cl)cc2)c2c(cccc2n1CC(O)=O)-c1ccccc1 Show InChI InChI=1S/C23H18ClNO2S/c1-15-23(28-18-12-10-17(24)11-13-18)22-19(16-6-3-2-4-7-16)8-5-9-20(22)25(15)14-21(26)27/h2-13H,14H2,1H3,(H,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50357112
(CHEMBL1917427)Show InChI InChI=1S/C18H15ClFNO2S/c1-10-14(20)7-8-15-17(10)18(11(2)21(15)9-16(22)23)24-13-5-3-12(19)4-6-13/h3-8H,9H2,1-2H3,(H,22,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50357105
(CHEMBL1917443)Show SMILES Cc1c(Sc2ccc(cc2)S(C)(=O)=O)c2cc(C)ccc2n1CC(O)=O Show InChI InChI=1S/C19H19NO4S2/c1-12-4-9-17-16(10-12)19(13(2)20(17)11-18(21)22)25-14-5-7-15(8-6-14)26(3,23)24/h4-10H,11H2,1-3H3,(H,21,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50357149
(CHEMBL1917426)Show InChI InChI=1S/C17H13ClFNO2S/c1-10-17(23-13-5-2-11(18)3-6-13)14-8-12(19)4-7-15(14)20(10)9-16(21)22/h2-8H,9H2,1H3,(H,21,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50357104
(CHEMBL1917433)Show SMILES Cc1c(Sc2ccc(Cl)cc2)c2c(NS(C)(=O)=O)cccc2n1CC(O)=O Show InChI InChI=1S/C18H17ClN2O4S2/c1-11-18(26-13-8-6-12(19)7-9-13)17-14(20-27(2,24)25)4-3-5-15(17)21(11)10-16(22)23/h3-9,20H,10H2,1-2H3,(H,22,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50357129
(CHEMBL1917442)Show InChI InChI=1S/C18H16ClNO2S/c1-11-7-8-15-13(9-11)18(12(2)20(15)10-17(21)22)23-16-6-4-3-5-14(16)19/h3-9H,10H2,1-2H3,(H,21,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50357128
(CHEMBL1917441)Show InChI InChI=1S/C18H16ClNO2S/c1-11-6-7-16-15(8-11)18(12(2)20(16)10-17(21)22)23-14-5-3-4-13(19)9-14/h3-9H,10H2,1-2H3,(H,21,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50357124
(CHEMBL1917437)Show SMILES Cc1c(Sc2ccc(Cl)cc2)c2c(cccc2n1CC(O)=O)-c1nccs1 Show InChI InChI=1S/C20H15ClN2O2S2/c1-12-19(27-14-7-5-13(21)6-8-14)18-15(20-22-9-10-26-20)3-2-4-16(18)23(12)11-17(24)25/h2-10H,11H2,1H3,(H,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50357144
(CHEMBL1917458)Show SMILES CCS(=O)(=O)c1ccc(Oc2c(C)n(CC(O)=O)c3ccc(cc23)C(F)(F)F)cc1 Show InChI InChI=1S/C20H18F3NO5S/c1-3-30(27,28)15-7-5-14(6-8-15)29-19-12(2)24(11-18(25)26)17-9-4-13(10-16(17)19)20(21,22)23/h4-10H,3,11H2,1-2H3,(H,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50357142
(CHEMBL1917456)Show SMILES Cc1c(Oc2ccc(Cl)cc2)c2c(NS(C)(=O)=O)cccc2n1CC(O)=O Show InChI InChI=1S/C18H17ClN2O5S/c1-11-18(26-13-8-6-12(19)7-9-13)17-14(20-27(2,24)25)4-3-5-15(17)21(11)10-16(22)23/h3-9,20H,10H2,1-2H3,(H,22,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50357126
(CHEMBL1917439)Show SMILES Cc1c(Sc2ccc(Cl)cc2)c2cc(ccc2n1CC(O)=O)-c1ccccc1 Show InChI InChI=1S/C23H18ClNO2S/c1-15-23(28-19-10-8-18(24)9-11-19)20-13-17(16-5-3-2-4-6-16)7-12-21(20)25(15)14-22(26)27/h2-13H,14H2,1H3,(H,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50357146
(CHEMBL1917460)Show SMILES Cc1c(Oc2ccc(Cl)cc2)c2c(cccc2n1CC(O)=O)-c1ccccc1 Show InChI InChI=1S/C23H18ClNO3/c1-15-23(28-18-12-10-17(24)11-13-18)22-19(16-6-3-2-4-7-16)8-5-9-20(22)25(15)14-21(26)27/h2-13H,14H2,1H3,(H,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50357102
(CHEMBL1914489)Show SMILES CC(=O)Nc1cccc2n(CC(O)=O)c(C)c(Sc3ccc(Cl)cc3)c12 Show InChI InChI=1S/C19H17ClN2O3S/c1-11-19(26-14-8-6-13(20)7-9-14)18-15(21-12(2)23)4-3-5-16(18)22(11)10-17(24)25/h3-9H,10H2,1-2H3,(H,21,23)(H,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50357140
(CHEMBL1917454)Show InChI InChI=1S/C17H13ClFNO3/c1-10-17(23-13-5-2-11(18)3-6-13)14-8-12(19)4-7-15(14)20(10)9-16(21)22/h2-8H,9H2,1H3,(H,21,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50357113
(CHEMBL1917428)Show SMILES Cc1c(Sc2ccc(Cl)cc2)c2c(C#N)c(Cl)ccc2n1CC(O)=O Show InChI InChI=1S/C18H12Cl2N2O2S/c1-10-18(25-12-4-2-11(19)3-5-12)17-13(8-21)14(20)6-7-15(17)22(10)9-16(23)24/h2-7H,9H2,1H3,(H,23,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.10 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50357130
(CHEMBL1917444)Show InChI InChI=1S/C19H19NO3S/c1-12-4-9-17-16(10-12)19(13(2)20(17)11-18(21)22)24-15-7-5-14(23-3)6-8-15/h4-10H,11H2,1-3H3,(H,21,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.10 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50357135
(CHEMBL1917449)Show SMILES CC(=O)Nc1cccc2n(CC(O)=O)c(C)c(c12)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H17ClN2O5S/c1-11-19(28(26,27)14-8-6-13(20)7-9-14)18-15(21-12(2)23)4-3-5-16(18)22(11)10-17(24)25/h3-9H,10H2,1-2H3,(H,21,23)(H,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.10 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50357133
(CHEMBL1917447)Show SMILES Cc1c(c2cc(F)ccc2n1CC(O)=O)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C17H13ClFNO4S/c1-10-17(25(23,24)13-5-2-11(18)3-6-13)14-8-12(19)4-7-15(14)20(10)9-16(21)22/h2-8H,9H2,1H3,(H,21,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.10 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50357136
(CHEMBL1917450)Show SMILES Cc1c(c2c(NS(C)(=O)=O)cccc2n1CC(O)=O)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H17ClN2O6S2/c1-11-18(29(26,27)13-8-6-12(19)7-9-13)17-14(20-28(2,24)25)4-3-5-15(17)21(11)10-16(22)23/h3-9,20H,10H2,1-2H3,(H,22,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50357102
(CHEMBL1914489)Show SMILES CC(=O)Nc1cccc2n(CC(O)=O)c(C)c(Sc3ccc(Cl)cc3)c12 Show InChI InChI=1S/C19H17ClN2O3S/c1-11-19(26-14-8-6-13(20)7-9-14)18-15(21-12(2)23)4-3-5-16(18)22(11)10-17(24)25/h3-9H,10H2,1-2H3,(H,21,23)(H,24,25) | PDB
Reactome pathway
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MCE
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UniChem
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PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Antagonist activity against human CRTh2 receptor in human eosinophils assessed as inhibition of DK-PGD2-induced CD11b expression |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50357117
(CHEMBL1917432)Show SMILES Cc1c(Sc2ccc(Cl)cc2)c2c(cccc2n1CC(O)=O)S(C)(=O)=O Show InChI InChI=1S/C18H16ClNO4S2/c1-11-18(25-13-8-6-12(19)7-9-13)17-14(20(11)10-16(21)22)4-3-5-15(17)26(2,23)24/h3-9H,10H2,1-2H3,(H,21,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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UniChem
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PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50357141
(CHEMBL1917455)Show SMILES Cc1c(Oc2ccc(Cl)cc2)c2cc(ccc2n1CC(O)=O)C(F)(F)F Show InChI InChI=1S/C18H13ClF3NO3/c1-10-17(26-13-5-3-12(19)4-6-13)14-8-11(18(20,21)22)2-7-15(14)23(10)9-16(24)25/h2-8H,9H2,1H3,(H,24,25) | PDB
Reactome pathway
KEGG
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50357120
(CHEMBL1917419)Show InChI InChI=1S/C17H13Cl2NO2S/c1-10-17(23-13-5-2-11(18)3-6-13)14-8-12(19)4-7-15(14)20(10)9-16(21)22/h2-8H,9H2,1H3,(H,21,22) | PDB
Reactome pathway
KEGG
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50357103
(CHEMBL1917418)Show InChI InChI=1S/C18H16ClNO2S/c1-11-3-8-16-15(9-11)18(12(2)20(16)10-17(21)22)23-14-6-4-13(19)5-7-14/h3-9H,10H2,1-2H3,(H,21,22) | PDB
Reactome pathway
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PC sid
UniChem
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PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50357143
(CHEMBL1917457)Show SMILES CC(=O)Nc1cccc2n(CC(O)=O)c(C)c(Oc3ccc(Cl)cc3)c12 Show InChI InChI=1S/C19H17ClN2O4/c1-11-19(26-14-8-6-13(20)7-9-14)18-15(21-12(2)23)4-3-5-16(18)22(11)10-17(24)25/h3-9H,10H2,1-2H3,(H,21,23)(H,24,25) | PDB
Reactome pathway
KEGG
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50357119
(CHEMBL1917417)Show InChI InChI=1S/C18H17NO2S/c1-12-8-9-16-15(10-12)18(13(2)19(16)11-17(20)21)22-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,20,21) | PDB
Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
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PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50357111
(CHEMBL1917425)Show InChI InChI=1S/C17H13Cl2NO2S/c1-10-17(23-12-7-5-11(18)6-8-12)16-13(19)3-2-4-14(16)20(10)9-15(21)22/h2-8H,9H2,1H3,(H,21,22) | PDB
Reactome pathway
KEGG
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UniChem
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| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50357119
(CHEMBL1917417)Show InChI InChI=1S/C18H17NO2S/c1-12-8-9-16-15(10-12)18(13(2)19(16)11-17(20)21)22-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,20,21) | PDB
Reactome pathway
KEGG
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UniChem
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PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Antagonist activity at human CRTh2 receptor expressed in HEK cells assessed as inhibition of PGD2-induced calcium flux |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50357132
(CHEMBL1917446)Show SMILES Cc1c(c2cc(C)ccc2n1CC(O)=O)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H16ClNO4S/c1-11-3-8-16-15(9-11)18(12(2)20(16)10-17(21)22)25(23,24)14-6-4-13(19)5-7-14/h3-9H,10H2,1-2H3,(H,21,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50357148
(CHEMBL1917462)Show InChI InChI=1S/C16H12Cl2N2O2S/c1-9-15(23-11-4-2-10(17)3-5-11)14-12(6-7-19-16(14)18)20(9)8-13(21)22/h2-7H,8H2,1H3,(H,21,22) | PDB
Reactome pathway
KEGG
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PC sid
UniChem
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PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50357120
(CHEMBL1917419)Show InChI InChI=1S/C17H13Cl2NO2S/c1-10-17(23-13-5-2-11(18)3-6-13)14-8-12(19)4-7-15(14)20(10)9-16(21)22/h2-8H,9H2,1H3,(H,21,22) | PDB
Reactome pathway
KEGG
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PC sid
UniChem
Similars
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PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Antagonist activity at human CRTh2 receptor expressed in HEK cells assessed as inhibition of PGD2-induced calcium flux |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50357145
(CHEMBL1917459)Show SMILES CCS(=O)(=O)Nc1cccc2n(CC(O)=O)c(C)c(Oc3ccc(Cl)cc3)c12 Show InChI InChI=1S/C19H19ClN2O5S/c1-3-28(25,26)21-15-5-4-6-16-18(15)19(12(2)22(16)11-17(23)24)27-14-9-7-13(20)8-10-14/h4-10,21H,3,11H2,1-2H3,(H,23,24) | PDB
Reactome pathway
KEGG
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GoogleScholar
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PC sid
UniChem
Similars
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PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50357110
(CHEMBL1917424)Show InChI InChI=1S/C17H13Cl2NO2S/c1-10-17(23-13-5-2-11(18)3-6-13)14-7-4-12(19)8-15(14)20(10)9-16(21)22/h2-8H,9H2,1H3,(H,21,22) | PDB
Reactome pathway
KEGG
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GoogleScholar
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| CHEMBL
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PC sid
UniChem
Similars
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PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50357122
(CHEMBL1917435)Show SMILES CNC(=O)c1cccc2n(CC(O)=O)c(C)c(Sc3ccc(Cl)cc3)c12 Show InChI InChI=1S/C19H17ClN2O3S/c1-11-18(26-13-8-6-12(20)7-9-13)17-14(19(25)21-2)4-3-5-15(17)22(11)10-16(23)24/h3-9H,10H2,1-2H3,(H,21,25)(H,23,24) | PDB
Reactome pathway
KEGG
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50357147
(CHEMBL1917461)Show InChI InChI=1S/C17H15ClN2O2S/c1-10-3-8-14-16(19-10)17(11(2)20(14)9-15(21)22)23-13-6-4-12(18)5-7-13/h3-8H,9H2,1-2H3,(H,21,22) | PDB
Reactome pathway
KEGG
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50357123
(CHEMBL1917436)Show SMILES CC(=O)Nc1ccc2n(CC(O)=O)c(C)c(Sc3ccc(Cl)cc3)c2c1 Show InChI InChI=1S/C19H17ClN2O3S/c1-11-19(26-15-6-3-13(20)4-7-15)16-9-14(21-12(2)23)5-8-17(16)22(11)10-18(24)25/h3-9H,10H2,1-2H3,(H,21,23)(H,24,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50357109
(CHEMBL1917423)Show InChI InChI=1S/C17H13Cl2NO2S/c1-10-17(23-12-7-5-11(18)6-8-12)13-3-2-4-14(19)16(13)20(10)9-15(21)22/h2-8H,9H2,1H3,(H,21,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM50357136
(CHEMBL1917450)Show SMILES Cc1c(c2c(NS(C)(=O)=O)cccc2n1CC(O)=O)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H17ClN2O6S2/c1-11-18(29(26,27)13-8-6-12(19)7-9-13)17-14(20-28(2,24)25)4-3-5-15(17)21(11)10-16(22)23/h3-9,20H,10H2,1-2H3,(H,22,23) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant aldose reductase 1 after 15 mins by spectrophotometry analysis |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50357134
(CHEMBL1917448)Show SMILES COc1cccc(c1)S(=O)(=O)c1c(C)n(CC(O)=O)c2ccc(C)cc12 Show InChI InChI=1S/C19H19NO5S/c1-12-7-8-17-16(9-12)19(13(2)20(17)11-18(21)22)26(23,24)15-6-4-5-14(10-15)25-3/h4-10H,11H2,1-3H3,(H,21,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50357116
(CHEMBL1917431)Show SMILES Cc1c(Sc2ccc(Cl)cc2)c2cc(ccc2n1CC(O)=O)S(C)(=O)=O Show InChI InChI=1S/C18H16ClNO4S2/c1-11-18(25-13-5-3-12(19)4-6-13)15-9-14(26(2,23)24)7-8-16(15)20(11)10-17(21)22/h3-9H,10H2,1-2H3,(H,21,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50357138
(CHEMBL1917452)Show SMILES Cc1c(c2cc(C)ccc2n1CC(O)=O)S(=O)(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C18H16ClNO4S/c1-11-6-7-16-15(8-11)18(12(2)20(16)10-17(21)22)25(23,24)14-5-3-4-13(19)9-14/h3-9H,10H2,1-2H3,(H,21,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50357103
(CHEMBL1917418)Show InChI InChI=1S/C18H16ClNO2S/c1-11-3-8-16-15(9-11)18(12(2)20(16)10-17(21)22)23-14-6-4-13(19)5-7-14/h3-9H,10H2,1-2H3,(H,21,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 87 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Antagonist activity at human CRTh2 receptor expressed in HEK cells assessed as inhibition of PGD2-induced calcium flux |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50357106
(CHEMBL1917420)Show InChI InChI=1S/C16H11Cl2NO2S/c17-10-1-4-12(5-2-10)22-15-8-19(9-16(20)21)14-6-3-11(18)7-13(14)15/h1-8H,9H2,(H,20,21) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 89 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM50357134
(CHEMBL1917448)Show SMILES COc1cccc(c1)S(=O)(=O)c1c(C)n(CC(O)=O)c2ccc(C)cc12 Show InChI InChI=1S/C19H19NO5S/c1-12-7-8-17-16(9-12)19(13(2)20(17)11-18(21)22)26(23,24)15-6-4-5-14(10-15)25-3/h4-10H,11H2,1-3H3,(H,21,22) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 115 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant aldose reductase 1 after 15 mins by spectrophotometry analysis |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50357139
(CHEMBL1917453)Show SMILES Cc1c(c2cc(C)ccc2n1CC(O)=O)S(=O)(=O)c1c(Cl)cccc1Cl Show InChI InChI=1S/C18H15Cl2NO4S/c1-10-6-7-15-12(8-10)17(11(2)21(15)9-16(22)23)26(24,25)18-13(19)4-3-5-14(18)20/h3-8H,9H2,1-2H3,(H,22,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 126 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Rattus norvegicus) | BDBM50357119
(CHEMBL1917417)Show InChI InChI=1S/C18H17NO2S/c1-12-8-9-16-15(10-12)18(13(2)19(16)11-17(20)21)22-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 157 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Inhibition of rat aldose reductase |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50357115
(CHEMBL1917430)Show SMILES Cc1c(Sc2ccc(Cl)cc2)c2ccc(cc2n1CC(O)=O)S(C)(=O)=O Show InChI InChI=1S/C18H16ClNO4S2/c1-11-18(25-13-5-3-12(19)4-6-13)15-8-7-14(26(2,23)24)9-16(15)20(11)10-17(21)22/h3-9H,10H2,1-2H3,(H,21,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 159 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50357114
(CHEMBL1917429)Show SMILES Cc1c(Sc2ccc(Cl)cc2)c2cc(Cl)c(cc2n1CC(O)=O)C#N Show InChI InChI=1S/C18H12Cl2N2O2S/c1-10-18(25-13-4-2-12(19)3-5-13)14-7-15(20)11(8-21)6-16(14)22(10)9-17(23)24/h2-7H,9H2,1H3,(H,23,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 178 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50357137
(CHEMBL1917451)Show SMILES Cc1c(c2cc(C)ccc2n1CC(O)=O)S(=O)(=O)c1ccccc1Cl Show InChI InChI=1S/C18H16ClNO4S/c1-11-7-8-15-13(9-11)18(12(2)20(15)10-17(21)22)25(23,24)16-6-4-3-5-14(16)19/h3-9H,10H2,1-2H3,(H,21,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 178 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50357121
(CHEMBL1917434)Show SMILES CCN(C(C)=O)c1cccc2n(CC(O)=O)c(C)c(Sc3ccc(Cl)cc3)c12 Show InChI InChI=1S/C21H21ClN2O3S/c1-4-23(14(3)25)17-6-5-7-18-20(17)21(13(2)24(18)12-19(26)27)28-16-10-8-15(22)9-11-16/h5-11H,4,12H2,1-3H3,(H,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 224 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM50357130
(CHEMBL1917444)Show InChI InChI=1S/C19H19NO3S/c1-12-4-9-17-16(10-12)19(13(2)20(17)11-18(21)22)24-15-7-5-14(23-3)6-8-15/h4-10H,11H2,1-3H3,(H,21,22) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 282 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant aldose reductase 1 after 15 mins by spectrophotometry analysis |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM50357132
(CHEMBL1917446)Show SMILES Cc1c(c2cc(C)ccc2n1CC(O)=O)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H16ClNO4S/c1-11-3-8-16-15(9-11)18(12(2)20(16)10-17(21)22)25(23,24)14-6-4-13(19)5-7-14/h3-9H,10H2,1-2H3,(H,21,22) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 411 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant aldose reductase 1 after 15 mins by spectrophotometry analysis |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50357107
(CHEMBL1917421)Show SMILES CC(C(O)=O)n1c(C)c(Sc2ccc(Cl)cc2)c2cc(Cl)ccc12 Show InChI InChI=1S/C18H15Cl2NO2S/c1-10-17(24-14-6-3-12(19)4-7-14)15-9-13(20)5-8-16(15)21(10)11(2)18(22)23/h3-9,11H,1-2H3,(H,22,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 501 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM50357135
(CHEMBL1917449)Show SMILES CC(=O)Nc1cccc2n(CC(O)=O)c(C)c(c12)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H17ClN2O5S/c1-11-19(28(26,27)14-8-6-13(20)7-9-14)18-15(21-12(2)23)4-3-5-16(18)22(11)10-17(24)25/h3-9H,10H2,1-2H3,(H,21,23)(H,24,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 708 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant aldose reductase 1 after 15 mins by spectrophotometry analysis |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50357118
(CHEMBL1917463)Show InChI InChI=1S/C17H15NO2S/c1-18-14-10-6-5-9-13(14)17(15(18)11-16(19)20)21-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,19,20) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 794 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM50357102
(CHEMBL1914489)Show SMILES CC(=O)Nc1cccc2n(CC(O)=O)c(C)c(Sc3ccc(Cl)cc3)c12 Show InChI InChI=1S/C19H17ClN2O3S/c1-11-19(26-14-8-6-13(20)7-9-14)18-15(21-12(2)23)4-3-5-16(18)22(11)10-17(24)25/h3-9H,10H2,1-2H3,(H,21,23)(H,24,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 794 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant aldose reductase 1 after 15 mins by spectrophotometry analysis |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50357103
(CHEMBL1917418)Show InChI InChI=1S/C18H16ClNO2S/c1-11-3-8-16-15(9-11)18(12(2)20(16)10-17(21)22)23-14-6-4-13(19)5-7-14/h3-9H,10H2,1-2H3,(H,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50357131
(CHEMBL1917445)Show SMILES Cc1c(S(=O)c2ccc(Cl)cc2)c2cc(C)ccc2n1CC(O)=O Show InChI InChI=1S/C18H16ClNO3S/c1-11-3-8-16-15(9-11)18(12(2)20(16)10-17(21)22)24(23)14-6-4-13(19)5-7-14/h3-9H,10H2,1-2H3,(H,21,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM50357104
(CHEMBL1917433)Show SMILES Cc1c(Sc2ccc(Cl)cc2)c2c(NS(C)(=O)=O)cccc2n1CC(O)=O Show InChI InChI=1S/C18H17ClN2O4S2/c1-11-18(26-13-8-6-12(19)7-9-13)17-14(20-27(2,24)25)4-3-5-15(17)21(11)10-16(22)23/h3-9,20H,10H2,1-2H3,(H,22,23) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant aldose reductase 1 after 15 mins by spectrophotometry analysis |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM50357110
(CHEMBL1917424)Show InChI InChI=1S/C17H13Cl2NO2S/c1-10-17(23-13-5-2-11(18)3-6-13)14-7-4-12(19)8-15(14)20(10)9-16(21)22/h2-8H,9H2,1H3,(H,21,22) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant aldose reductase 1 after 15 mins by spectrophotometry analysis |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Prostaglandin D2 receptor 2
(Homo sapiens (Human)) | BDBM50357108
(CHEMBL1917422)Show SMILES Cc1c(Sc2ccc(Cl)cc2)c2cc(Cl)ccc2n1Cc1nnn[nH]1 Show InChI InChI=1S/C17H13Cl2N5S/c1-10-17(25-13-5-2-11(18)3-6-13)14-8-12(19)4-7-15(14)24(10)9-16-20-22-23-21-16/h2-8H,9H2,1H3,(H,20,21,22,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.47E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM50357126
(CHEMBL1917439)Show SMILES Cc1c(Sc2ccc(Cl)cc2)c2cc(ccc2n1CC(O)=O)-c1ccccc1 Show InChI InChI=1S/C23H18ClNO2S/c1-15-23(28-19-10-8-18(24)9-11-19)20-13-17(16-5-3-2-4-6-16)7-12-21(20)25(15)14-22(26)27/h2-13H,14H2,1H3,(H,26,27) | PDB
UniProtKB/SwissProt
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| CHEMBL
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UniChem
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| Article
PubMed
| n/a | n/a | 1.78E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant aldose reductase 1 after 15 mins by spectrophotometry analysis |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM50357128
(CHEMBL1917441)Show InChI InChI=1S/C18H16ClNO2S/c1-11-6-7-16-15(8-11)18(12(2)20(16)10-17(21)22)23-14-5-3-4-13(19)9-14/h3-9H,10H2,1-2H3,(H,21,22) | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
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UniChem
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| Article
PubMed
| n/a | n/a | 1.78E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant aldose reductase 1 after 15 mins by spectrophotometry analysis |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM50357111
(CHEMBL1917425)Show InChI InChI=1S/C17H13Cl2NO2S/c1-10-17(23-12-7-5-11(18)6-8-12)16-13(19)3-2-4-14(16)20(10)9-15(21)22/h2-8H,9H2,1H3,(H,21,22) | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
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| n/a | n/a | 1.78E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant aldose reductase 1 after 15 mins by spectrophotometry analysis |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM50357112
(CHEMBL1917427)Show InChI InChI=1S/C18H15ClFNO2S/c1-10-14(20)7-8-15-17(10)18(11(2)21(15)9-16(22)23)24-13-5-3-12(19)4-6-13/h3-8H,9H2,1-2H3,(H,22,23) | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
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UniChem
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| Article
PubMed
| n/a | n/a | 2.24E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant aldose reductase 1 after 15 mins by spectrophotometry analysis |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM50357113
(CHEMBL1917428)Show SMILES Cc1c(Sc2ccc(Cl)cc2)c2c(C#N)c(Cl)ccc2n1CC(O)=O Show InChI InChI=1S/C18H12Cl2N2O2S/c1-10-18(25-12-4-2-11(19)3-5-12)17-13(8-21)14(20)6-7-15(17)22(10)9-16(23)24/h2-7H,9H2,1H3,(H,23,24) | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
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| n/a | n/a | 2.24E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant aldose reductase 1 after 15 mins by spectrophotometry analysis |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM50357119
(CHEMBL1917417)Show InChI InChI=1S/C18H17NO2S/c1-12-8-9-16-15(10-12)18(13(2)19(16)11-17(20)21)22-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,20,21) | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
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UniChem
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| n/a | n/a | 3.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant aldose reductase 1 after 15 mins by spectrophotometry analysis |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM50357149
(CHEMBL1917426)Show InChI InChI=1S/C17H13ClFNO2S/c1-10-17(23-13-5-2-11(18)3-6-13)14-8-12(19)4-7-15(14)20(10)9-16(21)22/h2-8H,9H2,1H3,(H,21,22) | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
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| n/a | n/a | 3.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant aldose reductase 1 after 15 mins by spectrophotometry analysis |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM50357144
(CHEMBL1917458)Show SMILES CCS(=O)(=O)c1ccc(Oc2c(C)n(CC(O)=O)c3ccc(cc23)C(F)(F)F)cc1 Show InChI InChI=1S/C20H18F3NO5S/c1-3-30(27,28)15-7-5-14(6-8-15)29-19-12(2)24(11-18(25)26)17-9-4-13(10-16(17)19)20(21,22)23/h4-10H,3,11H2,1-2H3,(H,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| CHEMBL
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| Article
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| n/a | n/a | 3.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant aldose reductase 1 after 15 mins by spectrophotometry analysis |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM50357109
(CHEMBL1917423)Show InChI InChI=1S/C17H13Cl2NO2S/c1-10-17(23-12-7-5-11(18)6-8-12)13-3-2-4-14(19)16(13)20(10)9-15(21)22/h2-8H,9H2,1H3,(H,21,22) | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
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UniChem
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| n/a | n/a | 4.47E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant aldose reductase 1 after 15 mins by spectrophotometry analysis |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50357105
(CHEMBL1917443)Show SMILES Cc1c(Sc2ccc(cc2)S(C)(=O)=O)c2cc(C)ccc2n1CC(O)=O Show InChI InChI=1S/C19H19NO4S2/c1-12-4-9-17-16(10-12)19(13(2)20(17)11-18(21)22)25-14-5-7-15(8-6-14)26(3,23)24/h4-10H,11H2,1-3H3,(H,21,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| CHEMBL
PC cid
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM50357129
(CHEMBL1917442)Show InChI InChI=1S/C18H16ClNO2S/c1-11-7-8-15-13(9-11)18(12(2)20(15)10-17(21)22)23-16-6-4-3-5-14(16)19/h3-9H,10H2,1-2H3,(H,21,22) | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
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UniChem
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| n/a | n/a | 5.62E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant aldose reductase 1 after 15 mins by spectrophotometry analysis |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Aldo-keto reductase family 1 member B1
(Homo sapiens (Human)) | BDBM50357105
(CHEMBL1917443)Show SMILES Cc1c(Sc2ccc(cc2)S(C)(=O)=O)c2cc(C)ccc2n1CC(O)=O Show InChI InChI=1S/C19H19NO4S2/c1-12-4-9-17-16(10-12)19(13(2)20(17)11-18(21)22)25-14-5-7-15(8-6-14)26(3,23)24/h4-10H,11H2,1-3H3,(H,21,22) | PDB
UniProtKB/SwissProt
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| CHEMBL
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| n/a | n/a | 7.94E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant aldose reductase 1 after 15 mins by spectrophotometry analysis |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50357104
(CHEMBL1917433)Show SMILES Cc1c(Sc2ccc(Cl)cc2)c2c(NS(C)(=O)=O)cccc2n1CC(O)=O Show InChI InChI=1S/C18H17ClN2O4S2/c1-11-18(26-13-8-6-12(19)7-9-13)17-14(20-27(2,24)25)4-3-5-15(17)21(11)10-16(22)23/h3-9,20H,10H2,1-2H3,(H,22,23) | PDB
MMDB
Reactome pathway
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UniProtKB/SwissProt
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| CHEMBL
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| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50357102
(CHEMBL1914489)Show SMILES CC(=O)Nc1cccc2n(CC(O)=O)c(C)c(Sc3ccc(Cl)cc3)c12 Show InChI InChI=1S/C19H17ClN2O3S/c1-11-19(26-14-8-6-13(20)7-9-14)18-15(21-12(2)23)4-3-5-16(18)22(11)10-17(24)25/h3-9H,10H2,1-2H3,(H,21,23)(H,24,25) | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50357102
(CHEMBL1914489)Show SMILES CC(=O)Nc1cccc2n(CC(O)=O)c(C)c(Sc3ccc(Cl)cc3)c12 Show InChI InChI=1S/C19H17ClN2O3S/c1-11-19(26-14-8-6-13(20)7-9-14)18-15(21-12(2)23)4-3-5-16(18)22(11)10-17(24)25/h3-9H,10H2,1-2H3,(H,21,23)(H,24,25) | PDB
MMDB
Reactome pathway
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CHEMBL
MCE
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PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50357102
(CHEMBL1914489)Show SMILES CC(=O)Nc1cccc2n(CC(O)=O)c(C)c(Sc3ccc(Cl)cc3)c12 Show InChI InChI=1S/C19H17ClN2O3S/c1-11-19(26-14-8-6-13(20)7-9-14)18-15(21-12(2)23)4-3-5-16(18)22(11)10-17(24)25/h3-9H,10H2,1-2H3,(H,21,23)(H,24,25) | PDB
MMDB
Reactome pathway
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50357102
(CHEMBL1914489)Show SMILES CC(=O)Nc1cccc2n(CC(O)=O)c(C)c(Sc3ccc(Cl)cc3)c12 Show InChI InChI=1S/C19H17ClN2O3S/c1-11-19(26-14-8-6-13(20)7-9-14)18-15(21-12(2)23)4-3-5-16(18)22(11)10-17(24)25/h3-9H,10H2,1-2H3,(H,21,23)(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
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CHEMBL
MCE
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| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Charnwood
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem Lett 21: 6288-92 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.124
BindingDB Entry DOI: 10.7270/Q29P3225 |
More data for this
Ligand-Target Pair | |
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