Found 5 hits for monomerid = 50073547 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)) | BDBM50073547
(CHEMBL3408951)Show SMILES COc1ccc2N(C)C(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(cc5)[C@H](C)N5CCOCC5)n[nH]c4c3)c2c1 |r| Show InChI InChI=1S/C33H34N4O3/c1-21(37-14-16-40-17-15-37)23-7-4-22(5-8-23)6-12-29-26-11-9-24(18-30(26)35-34-29)28-20-33(28)27-19-25(39-3)10-13-31(27)36(2)32(33)38/h4-13,18-19,21,28H,14-17,20H2,1-3H3,(H,34,35)/b12-6+/t21-,28-,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)) | BDBM50073547
(CHEMBL3408951)Show SMILES COc1ccc2N(C)C(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(cc5)[C@H](C)N5CCOCC5)n[nH]c4c3)c2c1 |r| Show InChI InChI=1S/C33H34N4O3/c1-21(37-14-16-40-17-15-37)23-7-4-22(5-8-23)6-12-29-26-11-9-24(18-30(26)35-34-29)28-20-33(28)27-19-25(39-3)10-13-31(27)36(2)32(33)38/h4-13,18-19,21,28H,14-17,20H2,1-3H3,(H,34,35)/b12-6+/t21-,28-,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 | 440 | 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)) | BDBM50073547
(CHEMBL3408951)Show SMILES COc1ccc2N(C)C(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(cc5)[C@H](C)N5CCOCC5)n[nH]c4c3)c2c1 |r| Show InChI InChI=1S/C33H34N4O3/c1-21(37-14-16-40-17-15-37)23-7-4-22(5-8-23)6-12-29-26-11-9-24(18-30(26)35-34-29)28-20-33(28)27-19-25(39-3)10-13-31(27)36(2)32(33)38/h4-13,18-19,21,28H,14-17,20H2,1-3H3,(H,34,35)/b12-6+/t21-,28-,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 | 450 | 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)) | BDBM50073547
(CHEMBL3408951)Show SMILES COc1ccc2N(C)C(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(cc5)[C@H](C)N5CCOCC5)n[nH]c4c3)c2c1 |r| Show InChI InChI=1S/C33H34N4O3/c1-21(37-14-16-40-17-15-37)23-7-4-22(5-8-23)6-12-29-26-11-9-24(18-30(26)35-34-29)28-20-33(28)27-19-25(39-3)10-13-31(27)36(2)32(33)38/h4-13,18-19,21,28H,14-17,20H2,1-3H3,(H,34,35)/b12-6+/t21-,28-,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 | 1.10E+4 | 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)) | BDBM50073547
(CHEMBL3408951)Show SMILES COc1ccc2N(C)C(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(cc5)[C@H](C)N5CCOCC5)n[nH]c4c3)c2c1 |r| Show InChI InChI=1S/C33H34N4O3/c1-21(37-14-16-40-17-15-37)23-7-4-22(5-8-23)6-12-29-26-11-9-24(18-30(26)35-34-29)28-20-33(28)27-19-25(39-3)10-13-31(27)36(2)32(33)38/h4-13,18-19,21,28H,14-17,20H2,1-3H3,(H,34,35)/b12-6+/t21-,28-,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 | 900 | 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 | |