Found 6 hits for monomerid = 50034556 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50034556
(CHEMBL3359844)Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2CN(CCCC(O)=O)CCOc12 Show InChI InChI=1S/C24H26ClN3O5/c1-15(2)32-20-9-8-16(13-19(20)25)24-26-23(27-33-24)18-6-3-5-17-14-28(10-4-7-21(29)30)11-12-31-22(17)18/h3,5-6,8-9,13,15H,4,7,10-12,14H2,1-2H3,(H,29,30) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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 CYP2D6 (unknown origin) |
J Med Chem 57: 10424-42 (2014)
Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50034556
(CHEMBL3359844)Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2CN(CCCC(O)=O)CCOc12 Show InChI InChI=1S/C24H26ClN3O5/c1-15(2)32-20-9-8-16(13-19(20)25)24-26-23(27-33-24)18-6-3-5-17-14-28(10-4-7-21(29)30)11-12-31-22(17)18/h3,5-6,8-9,13,15H,4,7,10-12,14H2,1-2H3,(H,29,30) | 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 | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
J Med Chem 57: 10424-42 (2014)
Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 1
(Homo sapiens (Human)) | BDBM50034556
(CHEMBL3359844)Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2CN(CCCC(O)=O)CCOc12 Show InChI InChI=1S/C24H26ClN3O5/c1-15(2)32-20-9-8-16(13-19(20)25)24-26-23(27-33-24)18-6-3-5-17-14-28(10-4-7-21(29)30)11-12-31-22(17)18/h3,5-6,8-9,13,15H,4,7,10-12,14H2,1-2H3,(H,29,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 40 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P1R expressed in RH7777 membranes assessed as [35S]GTPgammaS binding after 30 mins |
J Med Chem 57: 10424-42 (2014)
Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50034556
(CHEMBL3359844)Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2CN(CCCC(O)=O)CCOc12 Show InChI InChI=1S/C24H26ClN3O5/c1-15(2)32-20-9-8-16(13-19(20)25)24-26-23(27-33-24)18-6-3-5-17-14-28(10-4-7-21(29)30)11-12-31-22(17)18/h3,5-6,8-9,13,15H,4,7,10-12,14H2,1-2H3,(H,29,30) | 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 | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 (unknown origin) |
J Med Chem 57: 10424-42 (2014)
Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX |
More data for this
Ligand-Target Pair | |
Sphingosine 1-phosphate receptor 3
(Homo sapiens (Human)) | BDBM50034556
(CHEMBL3359844)Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2CN(CCCC(O)=O)CCOc12 Show InChI InChI=1S/C24H26ClN3O5/c1-15(2)32-20-9-8-16(13-19(20)25)24-26-23(27-33-24)18-6-3-5-17-14-28(10-4-7-21(29)30)11-12-31-22(17)18/h3,5-6,8-9,13,15H,4,7,10-12,14H2,1-2H3,(H,29,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | <3.16E+4 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Agonist activity at human S1P3R expressed in RBL membranes assessed as [35S]GTPgammaS binding after 30 mins |
J Med Chem 57: 10424-42 (2014)
Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50034556
(CHEMBL3359844)Show SMILES CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2CN(CCCC(O)=O)CCOc12 Show InChI InChI=1S/C24H26ClN3O5/c1-15(2)32-20-9-8-16(13-19(20)25)24-26-23(27-33-24)18-6-3-5-17-14-28(10-4-7-21(29)30)11-12-31-22(17)18/h3,5-6,8-9,13,15H,4,7,10-12,14H2,1-2H3,(H,29,30) | 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 | 2.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
J Med Chem 57: 10424-42 (2014)
Article DOI: 10.1021/jm5010336
BindingDB Entry DOI: 10.7270/Q2DF6SSX |
More data for this
Ligand-Target Pair | |
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