Found 6 hits for monomerid = 50034557 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)) | BDBM50034557
(CHEMBL3360360)Show SMILES [Na+].CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2n(CCC([O-])=O)ncc12 Show InChI InChI=1S/C21H19ClN4O4.Na/c1-12(2)29-18-7-6-13(10-16(18)22)21-24-20(25-30-21)14-4-3-5-17-15(14)11-23-26(17)9-8-19(27)28;/h3-7,10-12H,8-9H2,1-2H3,(H,27,28);/q;+1/p-1 | 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)) | BDBM50034557
(CHEMBL3360360)Show SMILES [Na+].CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2n(CCC([O-])=O)ncc12 Show InChI InChI=1S/C21H19ClN4O4.Na/c1-12(2)29-18-7-6-13(10-16(18)22)21-24-20(25-30-21)14-4-3-5-17-15(14)11-23-26(17)9-8-19(27)28;/h3-7,10-12H,8-9H2,1-2H3,(H,27,28);/q;+1/p-1 | 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)) | BDBM50034557
(CHEMBL3360360)Show SMILES [Na+].CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2n(CCC([O-])=O)ncc12 Show InChI InChI=1S/C21H19ClN4O4.Na/c1-12(2)29-18-7-6-13(10-16(18)22)21-24-20(25-30-21)14-4-3-5-17-15(14)11-23-26(17)9-8-19(27)28;/h3-7,10-12H,8-9H2,1-2H3,(H,27,28);/q;+1/p-1 | 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 | 20 | 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)) | BDBM50034557
(CHEMBL3360360)Show SMILES [Na+].CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2n(CCC([O-])=O)ncc12 Show InChI InChI=1S/C21H19ClN4O4.Na/c1-12(2)29-18-7-6-13(10-16(18)22)21-24-20(25-30-21)14-4-3-5-17-15(14)11-23-26(17)9-8-19(27)28;/h3-7,10-12H,8-9H2,1-2H3,(H,27,28);/q;+1/p-1 | 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)) | BDBM50034557
(CHEMBL3360360)Show SMILES [Na+].CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2n(CCC([O-])=O)ncc12 Show InChI InChI=1S/C21H19ClN4O4.Na/c1-12(2)29-18-7-6-13(10-16(18)22)21-24-20(25-30-21)14-4-3-5-17-15(14)11-23-26(17)9-8-19(27)28;/h3-7,10-12H,8-9H2,1-2H3,(H,27,28);/q;+1/p-1 | 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)) | BDBM50034557
(CHEMBL3360360)Show SMILES [Na+].CC(C)Oc1ccc(cc1Cl)-c1nc(no1)-c1cccc2n(CCC([O-])=O)ncc12 Show InChI InChI=1S/C21H19ClN4O4.Na/c1-12(2)29-18-7-6-13(10-16(18)22)21-24-20(25-30-21)14-4-3-5-17-15(14)11-23-26(17)9-8-19(27)28;/h3-7,10-12H,8-9H2,1-2H3,(H,27,28);/q;+1/p-1 | 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 | 7.00E+3 | 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 | |