Found 5 hits of ic50 for monomerid = 50545174 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50545174
(CHEMBL4637181)Show SMILES C[C@]1(CCC(F)(F)C(N)=N1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,c:8| Show InChI InChI=1S/C18H17F4N5O2/c1-17(4-5-18(21,22)16(23)27-17)11-6-10(2-3-12(11)20)26-15(28)13-7-25-14(8-24-13)29-9-19/h2-3,6-8H,4-5,9H2,1H3,(H2,23,27)(H,26,28)/t17-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research & Development
Curated by ChEMBL
| Assay Description Inhibition of BACE1 (unknown origin) |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.126999 BindingDB Entry DOI: 10.7270/Q2W95DRH |
More data for this Ligand-Target Pair | |
Beta-secretase 1
(Homo sapiens (Human)) | BDBM50545174
(CHEMBL4637181)Show SMILES C[C@]1(CCC(F)(F)C(N)=N1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,c:8| Show InChI InChI=1S/C18H17F4N5O2/c1-17(4-5-18(21,22)16(23)27-17)11-6-10(2-3-12(11)20)26-15(28)13-7-25-14(8-24-13)29-9-19/h2-3,6-8H,4-5,9H2,1H3,(H2,23,27)(H,26,28)/t17-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research & Development
Curated by ChEMBL
| Assay Description Inhibition of BACE1 (unknown origin) assessed as reduction in Abeta42 level by cell based assay |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.126999 BindingDB Entry DOI: 10.7270/Q2W95DRH |
More data for this Ligand-Target Pair | |
Beta-secretase 2
(Homo sapiens (Human)) | BDBM50545174
(CHEMBL4637181)Show SMILES C[C@]1(CCC(F)(F)C(N)=N1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,c:8| Show InChI InChI=1S/C18H17F4N5O2/c1-17(4-5-18(21,22)16(23)27-17)11-6-10(2-3-12(11)20)26-15(28)13-7-25-14(8-24-13)29-9-19/h2-3,6-8H,4-5,9H2,1H3,(H2,23,27)(H,26,28)/t17-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 126 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research & Development
Curated by ChEMBL
| Assay Description Inhibition of BACE2 (unknown origin) |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.126999 BindingDB Entry DOI: 10.7270/Q2W95DRH |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50545174
(CHEMBL4637181)Show SMILES C[C@]1(CCC(F)(F)C(N)=N1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,c:8| Show InChI InChI=1S/C18H17F4N5O2/c1-17(4-5-18(21,22)16(23)27-17)11-6-10(2-3-12(11)20)26-15(28)13-7-25-14(8-24-13)29-9-19/h2-3,6-8H,4-5,9H2,1H3,(H2,23,27)(H,26,28)/t17-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research & Development
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.126999 BindingDB Entry DOI: 10.7270/Q2W95DRH |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50545174
(CHEMBL4637181)Show SMILES C[C@]1(CCC(F)(F)C(N)=N1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,c:8| Show InChI InChI=1S/C18H17F4N5O2/c1-17(4-5-18(21,22)16(23)27-17)11-6-10(2-3-12(11)20)26-15(28)13-7-25-14(8-24-13)29-9-19/h2-3,6-8H,4-5,9H2,1H3,(H2,23,27)(H,26,28)/t17-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research & Development
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
Bioorg Med Chem Lett 30: (2020)
Article DOI: 10.1016/j.bmcl.2020.126999 BindingDB Entry DOI: 10.7270/Q2W95DRH |
More data for this Ligand-Target Pair | |