Found 5 hits for monomerid = 50073553 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 |
Serine/threonine-protein kinase PLK4
(Homo sapiens (Human)) | BDBM50073553
(CHEMBL3408957)Show SMILES CC(C)N1CCC(CC1)Oc1ccc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C33H34N4O2/c1-21(2)37-17-15-25(16-18-37)39-24-11-7-22(8-12-24)9-14-29-26-13-10-23(19-31(26)36-35-29)28-20-33(28)27-5-3-4-6-30(27)34-32(33)38/h3-14,19,21,25,28H,15-18,20H2,1-2H3,(H,34,38)(H,35,36)/b14-9+/t28-,33-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of PLK4 (unknown origin) by ELISA |
J Med Chem 58: 147-69 (2015)
BindingDB Entry DOI: 10.7270/Q2M0475V |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50073553
(CHEMBL3408957)Show SMILES CC(C)N1CCC(CC1)Oc1ccc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C33H34N4O2/c1-21(2)37-17-15-25(16-18-37)39-24-11-7-22(8-12-24)9-14-29-26-13-10-23(19-31(26)36-35-29)28-20-33(28)27-5-3-4-6-30(27)34-32(33)38/h3-14,19,21,25,28H,15-18,20H2,1-2H3,(H,34,38)(H,35,36)/b14-9+/t28-,33-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 (unknown origin) by fluorescence assay |
J Med Chem 58: 147-69 (2015)
BindingDB Entry DOI: 10.7270/Q2M0475V |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50073553
(CHEMBL3408957)Show SMILES CC(C)N1CCC(CC1)Oc1ccc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C33H34N4O2/c1-21(2)37-17-15-25(16-18-37)39-24-11-7-22(8-12-24)9-14-29-26-13-10-23(19-31(26)36-35-29)28-20-33(28)27-5-3-4-6-30(27)34-32(33)38/h3-14,19,21,25,28H,15-18,20H2,1-2H3,(H,34,38)(H,35,36)/b14-9+/t28-,33-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) using BFC as substrate by fluorescence assay |
J Med Chem 58: 147-69 (2015)
BindingDB Entry DOI: 10.7270/Q2M0475V |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50073553
(CHEMBL3408957)Show SMILES CC(C)N1CCC(CC1)Oc1ccc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C33H34N4O2/c1-21(2)37-17-15-25(16-18-37)39-24-11-7-22(8-12-24)9-14-29-26-13-10-23(19-31(26)36-35-29)28-20-33(28)27-5-3-4-6-30(27)34-32(33)38/h3-14,19,21,25,28H,15-18,20H2,1-2H3,(H,34,38)(H,35,36)/b14-9+/t28-,33-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) using DBF as substrate by fluorescence assay |
J Med Chem 58: 147-69 (2015)
BindingDB Entry DOI: 10.7270/Q2M0475V |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50073553
(CHEMBL3408957)Show SMILES CC(C)N1CCC(CC1)Oc1ccc(\C=C\c2n[nH]c3cc(ccc23)[C@@H]2C[C@@]22C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C33H34N4O2/c1-21(2)37-17-15-25(16-18-37)39-24-11-7-22(8-12-24)9-14-29-26-13-10-23(19-31(26)36-35-29)28-20-33(28)27-5-3-4-6-30(27)34-32(33)38/h3-14,19,21,25,28H,15-18,20H2,1-2H3,(H,34,38)(H,35,36)/b14-9+/t28-,33-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 (unknown origin) by fluorescence assay |
J Med Chem 58: 147-69 (2015)
BindingDB Entry DOI: 10.7270/Q2M0475V |
More data for this Ligand-Target Pair | |