Found 9 hits for monomerid = 50249046 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)) | BDBM50249046
![PNG](/data/jpeg/tenK5024/BindingDB_50249046.png) (CHEMBL4071689)Show SMILES C[C@](O)(c1cncc(c1)-n1nc(c2ccccc12)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C16H11F6N3O/c1-14(26,16(20,21)22)9-6-10(8-23-7-9)25-12-5-3-2-4-11(12)13(24-25)15(17,18)19/h2-8,26H,1H3/t14-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| 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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of hepatic CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 27: 2384-2388 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.021 BindingDB Entry DOI: 10.7270/Q2MC92F2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50249046
![PNG](/data/jpeg/tenK5024/BindingDB_50249046.png) (CHEMBL4071689)Show SMILES C[C@](O)(c1cncc(c1)-n1nc(c2ccccc12)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C16H11F6N3O/c1-14(26,16(20,21)22)9-6-10(8-23-7-9)25-12-5-3-2-4-11(12)13(24-25)15(17,18)19/h2-8,26H,1H3/t14-/m0/s1 | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| 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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of hepatic CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 27: 2384-2388 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.021 BindingDB Entry DOI: 10.7270/Q2MC92F2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 11B2, mitochondrial
(Rattus norvegicus) | BDBM50249046
![PNG](/data/jpeg/tenK5024/BindingDB_50249046.png) (CHEMBL4071689)Show SMILES C[C@](O)(c1cncc(c1)-n1nc(c2ccccc12)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C16H11F6N3O/c1-14(26,16(20,21)22)9-6-10(8-23-7-9)25-12-5-3-2-4-11(12)13(24-25)15(17,18)19/h2-8,26H,1H3/t14-/m0/s1 | UniProtKB/SwissProt
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of rat CYP11B2-1F4 expressed in Chinese hamster V79 cells using 11-deoxycorticosterone as substrate preincubated for 1 hr followed by subs... |
Bioorg Med Chem Lett 27: 2384-2388 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.021 BindingDB Entry DOI: 10.7270/Q2MC92F2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50249046
![PNG](/data/jpeg/tenK5024/BindingDB_50249046.png) (CHEMBL4071689)Show SMILES C[C@](O)(c1cncc(c1)-n1nc(c2ccccc12)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C16H11F6N3O/c1-14(26,16(20,21)22)9-6-10(8-23-7-9)25-12-5-3-2-4-11(12)13(24-25)15(17,18)19/h2-8,26H,1H3/t14-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of hepatic CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 27: 2384-2388 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.021 BindingDB Entry DOI: 10.7270/Q2MC92F2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 11B1, mitochondrial
(Homo sapiens (Human)) | BDBM50249046
![PNG](/data/jpeg/tenK5024/BindingDB_50249046.png) (CHEMBL4071689)Show SMILES C[C@](O)(c1cncc(c1)-n1nc(c2ccccc12)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C16H11F6N3O/c1-14(26,16(20,21)22)9-6-10(8-23-7-9)25-12-5-3-2-4-11(12)13(24-25)15(17,18)19/h2-8,26H,1H3/t14-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 856 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human CYP11B1-8C7 expressed in Chinese hamster V79 cells using 11-deoxycortisol as substrate preincubated for 1 hr followed by substrat... |
Bioorg Med Chem Lett 27: 2384-2388 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.021 BindingDB Entry DOI: 10.7270/Q2MC92F2 |
More data for this Ligand-Target Pair | |
Steroid 17-alpha-hydroxylase/17,20 lyase
(Homo sapiens (Human)) | BDBM50249046
![PNG](/data/jpeg/tenK5024/BindingDB_50249046.png) (CHEMBL4071689)Show SMILES C[C@](O)(c1cncc(c1)-n1nc(c2ccccc12)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C16H11F6N3O/c1-14(26,16(20,21)22)9-6-10(8-23-7-9)25-12-5-3-2-4-11(12)13(24-25)15(17,18)19/h2-8,26H,1H3/t14-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human CYP17 expressed in African green monkey COS7 cells using 17-hydroxypregnenolone as substrate preincubated for 1 hr followed by su... |
Bioorg Med Chem Lett 27: 2384-2388 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.021 BindingDB Entry DOI: 10.7270/Q2MC92F2 |
More data for this Ligand-Target Pair | |
Aromatase
(Homo sapiens (Human)) | BDBM50249046
![PNG](/data/jpeg/tenK5024/BindingDB_50249046.png) (CHEMBL4071689)Show SMILES C[C@](O)(c1cncc(c1)-n1nc(c2ccccc12)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C16H11F6N3O/c1-14(26,16(20,21)22)9-6-10(8-23-7-9)25-12-5-3-2-4-11(12)13(24-25)15(17,18)19/h2-8,26H,1H3/t14-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of CYP19 (unknown origin) using MFC as substrate and NADPH as cofactor preincubated for 10 mins with cofactor followed by substrate/enzyme... |
Bioorg Med Chem Lett 27: 2384-2388 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.021 BindingDB Entry DOI: 10.7270/Q2MC92F2 |
More data for this Ligand-Target Pair | |
Steroid 21-hydroxylase
(Homo sapiens (Human)) | BDBM50249046
![PNG](/data/jpeg/tenK5024/BindingDB_50249046.png) (CHEMBL4071689)Show SMILES C[C@](O)(c1cncc(c1)-n1nc(c2ccccc12)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C16H11F6N3O/c1-14(26,16(20,21)22)9-6-10(8-23-7-9)25-12-5-3-2-4-11(12)13(24-25)15(17,18)19/h2-8,26H,1H3/t14-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human CYP21 expressed in African green monkey COS7 cells using 17-hydroxypregnenolone as substrate preincubated for 1 hr followed by su... |
Bioorg Med Chem Lett 27: 2384-2388 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.021 BindingDB Entry DOI: 10.7270/Q2MC92F2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 11B2, mitochondrial
(Homo sapiens (Human)) | BDBM50249046
![PNG](/data/jpeg/tenK5024/BindingDB_50249046.png) (CHEMBL4071689)Show SMILES C[C@](O)(c1cncc(c1)-n1nc(c2ccccc12)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C16H11F6N3O/c1-14(26,16(20,21)22)9-6-10(8-23-7-9)25-12-5-3-2-4-11(12)13(24-25)15(17,18)19/h2-8,26H,1H3/t14-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human CYP11B2-CLE9 expressed in Chinese hamster V79 cells using 11-deoxycorticosterone as substrate preincubated for 1 hr followed by s... |
Bioorg Med Chem Lett 27: 2384-2388 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.021 BindingDB Entry DOI: 10.7270/Q2MC92F2 |
More data for this Ligand-Target Pair | |