Found 5 hits for monomerid = 50203341 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)) | BDBM50203341
(CHEMBL3960724)Show SMILES Clc1ccc(c(Cl)c1)[C@]1(Cn2ccnc2)OC[C@@H](COc2ccc(cc2)N2CCN(CC2)S(=O)(=O)c2cccs2)O1 |r| Show InChI InChI=1S/C28H28Cl2N4O5S2/c29-21-3-8-25(26(30)16-21)28(19-32-10-9-31-20-32)38-18-24(39-28)17-37-23-6-4-22(5-7-23)33-11-13-34(14-12-33)41(35,36)27-2-1-15-40-27/h1-10,15-16,20,24H,11-14,17-19H2/t24-,28-/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 | 1.00E+4 | 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 21
(Homo sapiens (Human)) | BDBM50203341
(CHEMBL3960724)Show SMILES Clc1ccc(c(Cl)c1)[C@]1(Cn2ccnc2)OC[C@@H](COc2ccc(cc2)N2CCN(CC2)S(=O)(=O)c2cccs2)O1 |r| Show InChI InChI=1S/C28H28Cl2N4O5S2/c29-21-3-8-25(26(30)16-21)28(19-32-10-9-31-20-32)38-18-24(39-28)17-37-23-6-4-22(5-7-23)33-11-13-34(14-12-33)41(35,36)27-2-1-15-40-27/h1-10,15-16,20,24H,11-14,17-19H2/t24-,28-/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 | 148 | 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 | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50203341
(CHEMBL3960724)Show SMILES Clc1ccc(c(Cl)c1)[C@]1(Cn2ccnc2)OC[C@@H](COc2ccc(cc2)N2CCN(CC2)S(=O)(=O)c2cccs2)O1 |r| Show InChI InChI=1S/C28H28Cl2N4O5S2/c29-21-3-8-25(26(30)16-21)28(19-32-10-9-31-20-32)38-18-24(39-28)17-37-23-6-4-22(5-7-23)33-11-13-34(14-12-33)41(35,36)27-2-1-15-40-27/h1-10,15-16,20,24H,11-14,17-19H2/t24-,28-/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 | 82 | 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)) | BDBM50203341
(CHEMBL3960724)Show SMILES Clc1ccc(c(Cl)c1)[C@]1(Cn2ccnc2)OC[C@@H](COc2ccc(cc2)N2CCN(CC2)S(=O)(=O)c2cccs2)O1 |r| Show InChI InChI=1S/C28H28Cl2N4O5S2/c29-21-3-8-25(26(30)16-21)28(19-32-10-9-31-20-32)38-18-24(39-28)17-37-23-6-4-22(5-7-23)33-11-13-34(14-12-33)41(35,36)27-2-1-15-40-27/h1-10,15-16,20,24H,11-14,17-19H2/t24-,28-/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 | 9 | 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 3A4
(Homo sapiens (Human)) | BDBM50203341
(CHEMBL3960724)Show SMILES Clc1ccc(c(Cl)c1)[C@]1(Cn2ccnc2)OC[C@@H](COc2ccc(cc2)N2CCN(CC2)S(=O)(=O)c2cccs2)O1 |r| Show InChI InChI=1S/C28H28Cl2N4O5S2/c29-21-3-8-25(26(30)16-21)28(19-32-10-9-31-20-32)38-18-24(39-28)17-37-23-6-4-22(5-7-23)33-11-13-34(14-12-33)41(35,36)27-2-1-15-40-27/h1-10,15-16,20,24H,11-14,17-19H2/t24-,28-/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 | 87 | 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 | |