Found 15 hits Enz. Inhib. hit(s) with all data for entry = 50017515 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 E2 receptor EP1 subtype
(Homo sapiens (Human)) | BDBM50160917
(3-(3-(2-(benzyloxy)-5-chlorophenyl)thiophen-2-yl)b...)Show SMILES OC(=O)c1cccc(c1)-c1sccc1-c1cc(Cl)ccc1OCc1ccccc1 Show InChI InChI=1S/C24H17ClO3S/c25-19-9-10-22(28-15-16-5-2-1-3-6-16)21(14-19)20-11-12-29-23(20)17-7-4-8-18(13-17)24(26)27/h1-14H,15H2,(H,26,27) | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Antagonist activity against PGE2 activated EP1 receptor assessed as ability to inhibit intracellular calcium mobilisation by FLIPR |
Bioorg Med Chem Lett 16: 2666-71 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.014
BindingDB Entry DOI: 10.7270/Q2J102RM |
More data for this
Ligand-Target Pair | |
Prostaglandin E2 receptor EP1 subtype
(Homo sapiens (Human)) | BDBM50160917
(3-(3-(2-(benzyloxy)-5-chlorophenyl)thiophen-2-yl)b...)Show SMILES OC(=O)c1cccc(c1)-c1sccc1-c1cc(Cl)ccc1OCc1ccccc1 Show InChI InChI=1S/C24H17ClO3S/c25-19-9-10-22(28-15-16-5-2-1-3-6-16)21(14-19)20-11-12-29-23(20)17-7-4-8-18(13-17)24(26)27/h1-14H,15H2,(H,26,27) | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of [3H]PGE2 from human EP1 receptor expressed in CHO-K1 cells |
Bioorg Med Chem Lett 16: 2666-71 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.014
BindingDB Entry DOI: 10.7270/Q2J102RM |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50183189
(3-(3-(2-(benzyloxy)-5-chlorophenyl)pyridin-4-yl)be...)Show SMILES OC(=O)c1cccc(c1)-c1ccncc1-c1cc(Cl)ccc1OCc1ccccc1 Show InChI InChI=1S/C25H18ClNO3/c26-20-9-10-24(30-16-17-5-2-1-3-6-17)22(14-20)23-15-27-12-11-21(23)18-7-4-8-19(13-18)25(28)29/h1-15H,16H2,(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP450 3A4 |
Bioorg Med Chem Lett 16: 2666-71 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.014
BindingDB Entry DOI: 10.7270/Q2J102RM |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50183187
(3-(5-(2-(benzyloxy)-5-chlorophenyl)-1H-imidazol-1-...)Show SMILES OC(=O)c1cccc(c1)-n1cncc1-c1cc(Cl)ccc1OCc1ccccc1 Show InChI InChI=1S/C23H17ClN2O3/c24-18-9-10-22(29-14-16-5-2-1-3-6-16)20(12-18)21-13-25-15-26(21)19-8-4-7-17(11-19)23(27)28/h1-13,15H,14H2,(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP450 2C9 |
Bioorg Med Chem Lett 16: 2666-71 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.014
BindingDB Entry DOI: 10.7270/Q2J102RM |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50183182
(2''-benzyloxy-5''-chloro-[1,1';2',1'']terphenyl-3-...)Show SMILES OC(=O)c1cccc(c1)-c1ccccc1-c1cc(Cl)ccc1OCc1ccccc1 Show InChI InChI=1S/C26H19ClO3/c27-21-13-14-25(30-17-18-7-2-1-3-8-18)24(16-21)23-12-5-4-11-22(23)19-9-6-10-20(15-19)26(28)29/h1-16H,17H2,(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP450 2C9 |
Bioorg Med Chem Lett 16: 2666-71 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.014
BindingDB Entry DOI: 10.7270/Q2J102RM |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50183189
(3-(3-(2-(benzyloxy)-5-chlorophenyl)pyridin-4-yl)be...)Show SMILES OC(=O)c1cccc(c1)-c1ccncc1-c1cc(Cl)ccc1OCc1ccccc1 Show InChI InChI=1S/C25H18ClNO3/c26-20-9-10-24(30-16-17-5-2-1-3-6-17)22(14-20)23-15-27-12-11-21(23)18-7-4-8-19(13-18)25(28)29/h1-15H,16H2,(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP450 2C9 |
Bioorg Med Chem Lett 16: 2666-71 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.014
BindingDB Entry DOI: 10.7270/Q2J102RM |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50183188
(3-(2-(2-(benzyloxy)-5-chlorophenyl)cyclopent-1-eny...)Show SMILES OC(=O)c1cccc(c1)C1=C(CCC1)c1cc(Cl)ccc1OCc1ccccc1 |t:10| Show InChI InChI=1S/C25H21ClO3/c26-20-12-13-24(29-16-17-6-2-1-3-7-17)23(15-20)22-11-5-10-21(22)18-8-4-9-19(14-18)25(27)28/h1-4,6-9,12-15H,5,10-11,16H2,(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 5.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP450 2C9 |
Bioorg Med Chem Lett 16: 2666-71 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.014
BindingDB Entry DOI: 10.7270/Q2J102RM |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50183185
(3-(2-(2-(benzyloxy)-5-chlorophenyl)-5-methyl-1H-py...)Show SMILES Cc1ccc(-c2cc(Cl)ccc2OCc2ccccc2)n1-c1cccc(c1)C(O)=O Show InChI InChI=1S/C25H20ClNO3/c1-17-10-12-23(27(17)21-9-5-8-19(14-21)25(28)29)22-15-20(26)11-13-24(22)30-16-18-6-3-2-4-7-18/h2-15H,16H2,1H3,(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP450 2C9 |
Bioorg Med Chem Lett 16: 2666-71 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.014
BindingDB Entry DOI: 10.7270/Q2J102RM |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50183186
(3-(2-(2-(benzyloxy)-5-bromophenyl)-5-methyl-1H-pyr...)Show SMILES Cc1ccc(-c2cc(Br)ccc2OCc2ccccc2)n1-c1cccc(c1)C(O)=O Show InChI InChI=1S/C25H20BrNO3/c1-17-10-12-23(27(17)21-9-5-8-19(14-21)25(28)29)22-15-20(26)11-13-24(22)30-16-18-6-3-2-4-7-18/h2-15H,16H2,1H3,(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP450 2C9 |
Bioorg Med Chem Lett 16: 2666-71 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.014
BindingDB Entry DOI: 10.7270/Q2J102RM |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50183184
(3-(2-(2-(benzyloxy)-5-chlorophenyl)-1H-pyrrol-1-yl...)Show SMILES OC(=O)c1cccc(c1)-n1cccc1-c1cc(Cl)ccc1OCc1ccccc1 Show InChI InChI=1S/C24H18ClNO3/c25-19-11-12-23(29-16-17-6-2-1-3-7-17)21(15-19)22-10-5-13-26(22)20-9-4-8-18(14-20)24(27)28/h1-15H,16H2,(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP450 2C9 |
Bioorg Med Chem Lett 16: 2666-71 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.014
BindingDB Entry DOI: 10.7270/Q2J102RM |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50183183
(3-(3-(2-(benzyloxy)-5-chlorophenyl)pyridin-2-yl)be...)Show SMILES OC(=O)c1cccc(c1)-c1ncccc1-c1cc(Cl)ccc1OCc1ccccc1 Show InChI InChI=1S/C25H18ClNO3/c26-20-11-12-23(30-16-17-6-2-1-3-7-17)22(15-20)21-10-5-13-27-24(21)18-8-4-9-19(14-18)25(28)29/h1-15H,16H2,(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP450 3A4 |
Bioorg Med Chem Lett 16: 2666-71 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.014
BindingDB Entry DOI: 10.7270/Q2J102RM |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50183183
(3-(3-(2-(benzyloxy)-5-chlorophenyl)pyridin-2-yl)be...)Show SMILES OC(=O)c1cccc(c1)-c1ncccc1-c1cc(Cl)ccc1OCc1ccccc1 Show InChI InChI=1S/C25H18ClNO3/c26-20-11-12-23(30-16-17-6-2-1-3-7-17)22(15-20)21-10-5-13-27-24(21)18-8-4-9-19(14-18)25(28)29/h1-15H,16H2,(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP450 1A2 |
Bioorg Med Chem Lett 16: 2666-71 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.014
BindingDB Entry DOI: 10.7270/Q2J102RM |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50183183
(3-(3-(2-(benzyloxy)-5-chlorophenyl)pyridin-2-yl)be...)Show SMILES OC(=O)c1cccc(c1)-c1ncccc1-c1cc(Cl)ccc1OCc1ccccc1 Show InChI InChI=1S/C25H18ClNO3/c26-20-11-12-23(30-16-17-6-2-1-3-7-17)22(15-20)21-10-5-13-27-24(21)18-8-4-9-19(14-18)25(28)29/h1-15H,16H2,(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP450 2C19 |
Bioorg Med Chem Lett 16: 2666-71 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.014
BindingDB Entry DOI: 10.7270/Q2J102RM |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50183183
(3-(3-(2-(benzyloxy)-5-chlorophenyl)pyridin-2-yl)be...)Show SMILES OC(=O)c1cccc(c1)-c1ncccc1-c1cc(Cl)ccc1OCc1ccccc1 Show InChI InChI=1S/C25H18ClNO3/c26-20-11-12-23(30-16-17-6-2-1-3-7-17)22(15-20)21-10-5-13-27-24(21)18-8-4-9-19(14-18)25(28)29/h1-15H,16H2,(H,28,29) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP450 2D6 |
Bioorg Med Chem Lett 16: 2666-71 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.014
BindingDB Entry DOI: 10.7270/Q2J102RM |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50183183
(3-(3-(2-(benzyloxy)-5-chlorophenyl)pyridin-2-yl)be...)Show SMILES OC(=O)c1cccc(c1)-c1ncccc1-c1cc(Cl)ccc1OCc1ccccc1 Show InChI InChI=1S/C25H18ClNO3/c26-20-11-12-23(30-16-17-6-2-1-3-7-17)22(15-20)21-10-5-13-27-24(21)18-8-4-9-19(14-18)25(28)29/h1-15H,16H2,(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP450 2C9 |
Bioorg Med Chem Lett 16: 2666-71 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.014
BindingDB Entry DOI: 10.7270/Q2J102RM |
More data for this
Ligand-Target Pair | |
Search and Browse
