Found 7 hits of ic50 for monomerid = 50115393 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 |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50115393
(CHEMBL3608458)Show SMILES OC[C@@H](N1CCCn2cc(cc2C1=O)-c1ccnc(N[C@@H]2C[C@H](O)[C@@H](F)C2)n1)c1ccccc1 |r| Show InChI InChI=1S/C25H28FN5O3/c26-19-12-18(13-23(19)33)28-25-27-8-7-20(29-25)17-11-21-24(34)31(10-4-9-30(21)14-17)22(15-32)16-5-2-1-3-6-16/h1-3,5-8,11,14,18-19,22-23,32-33H,4,9-10,12-13,15H2,(H,27,28,29)/t18-,19-,22+,23-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.190 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of ERK2 (unknown origin) |
Bioorg Med Chem Lett 25: 3788-92 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.091 BindingDB Entry DOI: 10.7270/Q2G44S3Q |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 1
(Homo sapiens (Human)) | BDBM50115393
(CHEMBL3608458)Show SMILES OC[C@@H](N1CCCn2cc(cc2C1=O)-c1ccnc(N[C@@H]2C[C@H](O)[C@@H](F)C2)n1)c1ccccc1 |r| Show InChI InChI=1S/C25H28FN5O3/c26-19-12-18(13-23(19)33)28-25-27-8-7-20(29-25)17-11-21-24(34)31(10-4-9-30(21)14-17)22(15-32)16-5-2-1-3-6-16/h1-3,5-8,11,14,18-19,22-23,32-33H,4,9-10,12-13,15H2,(H,27,28,29)/t18-,19-,22+,23-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of ERK2 in human A375 cells assessed as phosphorylated FRA level |
Bioorg Med Chem Lett 25: 3788-92 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.091 BindingDB Entry DOI: 10.7270/Q2G44S3Q |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50115393
(CHEMBL3608458)Show SMILES OC[C@@H](N1CCCn2cc(cc2C1=O)-c1ccnc(N[C@@H]2C[C@H](O)[C@@H](F)C2)n1)c1ccccc1 |r| Show InChI InChI=1S/C25H28FN5O3/c26-19-12-18(13-23(19)33)28-25-27-8-7-20(29-25)17-11-21-24(34)31(10-4-9-30(21)14-17)22(15-32)16-5-2-1-3-6-16/h1-3,5-8,11,14,18-19,22-23,32-33H,4,9-10,12-13,15H2,(H,27,28,29)/t18-,19-,22+,23-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.88E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) using testosterone as substrate |
Bioorg Med Chem Lett 25: 3788-92 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.091 BindingDB Entry DOI: 10.7270/Q2G44S3Q |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50115393
(CHEMBL3608458)Show SMILES OC[C@@H](N1CCCn2cc(cc2C1=O)-c1ccnc(N[C@@H]2C[C@H](O)[C@@H](F)C2)n1)c1ccccc1 |r| Show InChI InChI=1S/C25H28FN5O3/c26-19-12-18(13-23(19)33)28-25-27-8-7-20(29-25)17-11-21-24(34)31(10-4-9-30(21)14-17)22(15-32)16-5-2-1-3-6-16/h1-3,5-8,11,14,18-19,22-23,32-33H,4,9-10,12-13,15H2,(H,27,28,29)/t18-,19-,22+,23-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 (unknown origin) |
Bioorg Med Chem Lett 25: 3788-92 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.091 BindingDB Entry DOI: 10.7270/Q2G44S3Q |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50115393
(CHEMBL3608458)Show SMILES OC[C@@H](N1CCCn2cc(cc2C1=O)-c1ccnc(N[C@@H]2C[C@H](O)[C@@H](F)C2)n1)c1ccccc1 |r| Show InChI InChI=1S/C25H28FN5O3/c26-19-12-18(13-23(19)33)28-25-27-8-7-20(29-25)17-11-21-24(34)31(10-4-9-30(21)14-17)22(15-32)16-5-2-1-3-6-16/h1-3,5-8,11,14,18-19,22-23,32-33H,4,9-10,12-13,15H2,(H,27,28,29)/t18-,19-,22+,23-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 25: 3788-92 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.091 BindingDB Entry DOI: 10.7270/Q2G44S3Q |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50115393
(CHEMBL3608458)Show SMILES OC[C@@H](N1CCCn2cc(cc2C1=O)-c1ccnc(N[C@@H]2C[C@H](O)[C@@H](F)C2)n1)c1ccccc1 |r| Show InChI InChI=1S/C25H28FN5O3/c26-19-12-18(13-23(19)33)28-25-27-8-7-20(29-25)17-11-21-24(34)31(10-4-9-30(21)14-17)22(15-32)16-5-2-1-3-6-16/h1-3,5-8,11,14,18-19,22-23,32-33H,4,9-10,12-13,15H2,(H,27,28,29)/t18-,19-,22+,23-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 25: 3788-92 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.091 BindingDB Entry DOI: 10.7270/Q2G44S3Q |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50115393
(CHEMBL3608458)Show SMILES OC[C@@H](N1CCCn2cc(cc2C1=O)-c1ccnc(N[C@@H]2C[C@H](O)[C@@H](F)C2)n1)c1ccccc1 |r| Show InChI InChI=1S/C25H28FN5O3/c26-19-12-18(13-23(19)33)28-25-27-8-7-20(29-25)17-11-21-24(34)31(10-4-9-30(21)14-17)22(15-32)16-5-2-1-3-6-16/h1-3,5-8,11,14,18-19,22-23,32-33H,4,9-10,12-13,15H2,(H,27,28,29)/t18-,19-,22+,23-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) using midazolam as substrate |
Bioorg Med Chem Lett 25: 3788-92 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.091 BindingDB Entry DOI: 10.7270/Q2G44S3Q |
More data for this Ligand-Target Pair | |