Found 5 hits for monomerid = 50203340 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 19A1
(Homo sapiens (Human)) | BDBM50203340
(CHEMBL3938615)Show SMILES FC(F)(F)S(=O)(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r| Show InChI InChI=1S/C25H25Cl2F3N4O5S/c26-18-1-6-22(23(27)13-18)24(16-32-8-7-31-17-32)38-15-21(39-24)14-37-20-4-2-19(3-5-20)33-9-11-34(12-10-33)40(35,36)25(28,29)30/h1-8,13,17,21H,9-12,14-16H2/t21-,24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 790 | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of Cyp19 (unknown origin) |
Bioorg Med Chem Lett 26: 5825-5829 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.016
BindingDB Entry DOI: 10.7270/Q2X63PW4 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50203340
(CHEMBL3938615)Show SMILES FC(F)(F)S(=O)(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r| Show InChI InChI=1S/C25H25Cl2F3N4O5S/c26-18-1-6-22(23(27)13-18)24(16-32-8-7-31-17-32)38-15-21(39-24)14-37-20-4-2-19(3-5-20)33-9-11-34(12-10-33)40(35,36)25(28,29)30/h1-8,13,17,21H,9-12,14-16H2/t21-,24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 336 | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of human Cyp3A4 using testosterone as substrate by LC-MS/MS analysis |
Bioorg Med Chem Lett 26: 5825-5829 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.016
BindingDB Entry DOI: 10.7270/Q2X63PW4 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50203340
(CHEMBL3938615)Show SMILES FC(F)(F)S(=O)(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r| Show InChI InChI=1S/C25H25Cl2F3N4O5S/c26-18-1-6-22(23(27)13-18)24(16-32-8-7-31-17-32)38-15-21(39-24)14-37-20-4-2-19(3-5-20)33-9-11-34(12-10-33)40(35,36)25(28,29)30/h1-8,13,17,21H,9-12,14-16H2/t21-,24-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of recombinant CYP11B1 (unknown origin) overexpressed in human AD293 cells assessed as reduction in cortisol formation preincubated for 60... |
Bioorg Med Chem Lett 26: 5825-5829 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.016
BindingDB Entry DOI: 10.7270/Q2X63PW4 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 17A1
(Homo sapiens (Human)) | BDBM50203340
(CHEMBL3938615)Show SMILES FC(F)(F)S(=O)(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r| Show InChI InChI=1S/C25H25Cl2F3N4O5S/c26-18-1-6-22(23(27)13-18)24(16-32-8-7-31-17-32)38-15-21(39-24)14-37-20-4-2-19(3-5-20)33-9-11-34(12-10-33)40(35,36)25(28,29)30/h1-8,13,17,21H,9-12,14-16H2/t21-,24-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of recombinant CYP17 (unknown origin) overexpressed in human AD293 cells using [21-3H]17alpha-hydroxyl-pregenolone as substrate preincubat... |
Bioorg Med Chem Lett 26: 5825-5829 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.016
BindingDB Entry DOI: 10.7270/Q2X63PW4 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 21
(Homo sapiens (Human)) | BDBM50203340
(CHEMBL3938615)Show SMILES FC(F)(F)S(=O)(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r| Show InChI InChI=1S/C25H25Cl2F3N4O5S/c26-18-1-6-22(23(27)13-18)24(16-32-8-7-31-17-32)38-15-21(39-24)14-37-20-4-2-19(3-5-20)33-9-11-34(12-10-33)40(35,36)25(28,29)30/h1-8,13,17,21H,9-12,14-16H2/t21-,24-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University School of Pharmacy
Curated by ChEMBL
| Assay Description
Inhibition of recombinant CYP21 (unknown origin) overexpressed in human AD293 cells assessed as reduction in 11-deoxycortisol formation preincubated ... |
Bioorg Med Chem Lett 26: 5825-5829 (2016)
Article DOI: 10.1016/j.bmcl.2016.10.016
BindingDB Entry DOI: 10.7270/Q2X63PW4 |
More data for this
Ligand-Target Pair | |
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