Found 4 hits for monomerid = 50204041 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 3A4
(Homo sapiens (Human)) | BDBM50204041
(CHEMBL3974964)Show SMILES [H][C@@]12COc3c(F)ccc(F)c3[C@@]1(CCO[C@H]2CCS(=O)(=O)CCNCC)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C24H28ClF2NO6S2/c1-2-28-11-14-35(29,30)13-9-21-18-15-34-23-20(27)8-7-19(26)22(23)24(18,10-12-33-21)36(31,32)17-5-3-16(25)4-6-17/h3-8,18,21,28H,2,9-15H2,1H3/t18-,21-,24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes after 30 secs by LC/MS/MS analysis |
Bioorg Med Chem Lett 26: 5836-5841 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.095
BindingDB Entry DOI: 10.7270/Q27H1MKD |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50204041
(CHEMBL3974964)Show SMILES [H][C@@]12COc3c(F)ccc(F)c3[C@@]1(CCO[C@H]2CCS(=O)(=O)CCNCC)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C24H28ClF2NO6S2/c1-2-28-11-14-35(29,30)13-9-21-18-15-34-23-20(27)8-7-19(26)22(23)24(18,10-12-33-21)36(31,32)17-5-3-16(25)4-6-17/h3-8,18,21,28H,2,9-15H2,1H3/t18-,21-,24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 in human liver microsomes after 30 secs by LC/MS/MS analysis |
Bioorg Med Chem Lett 26: 5836-5841 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.095
BindingDB Entry DOI: 10.7270/Q27H1MKD |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50204041
(CHEMBL3974964)Show SMILES [H][C@@]12COc3c(F)ccc(F)c3[C@@]1(CCO[C@H]2CCS(=O)(=O)CCNCC)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C24H28ClF2NO6S2/c1-2-28-11-14-35(29,30)13-9-21-18-15-34-23-20(27)8-7-19(26)22(23)24(18,10-12-33-21)36(31,32)17-5-3-16(25)4-6-17/h3-8,18,21,28H,2,9-15H2,1H3/t18-,21-,24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 in human liver microsomes preincubated for 30 mins after 30 secs by LC/MS/MS analysis |
Bioorg Med Chem Lett 26: 5836-5841 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.095
BindingDB Entry DOI: 10.7270/Q27H1MKD |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50204041
(CHEMBL3974964)Show SMILES [H][C@@]12COc3c(F)ccc(F)c3[C@@]1(CCO[C@H]2CCS(=O)(=O)CCNCC)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C24H28ClF2NO6S2/c1-2-28-11-14-35(29,30)13-9-21-18-15-34-23-20(27)8-7-19(26)22(23)24(18,10-12-33-21)36(31,32)17-5-3-16(25)4-6-17/h3-8,18,21,28H,2,9-15H2,1H3/t18-,21-,24-/m0/s1 | PDB
UniProtKB/SwissProt
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 in human liver microsomes after 30 secs by LC/MS/MS analysis |
Bioorg Med Chem Lett 26: 5836-5841 (2016)
Article DOI: 10.1016/j.bmcl.2016.04.095
BindingDB Entry DOI: 10.7270/Q27H1MKD |
More data for this
Ligand-Target Pair | |
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