Found 3 hits for monomerid = 50394819 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)) | BDBM50394819
(CHEMBL2163830)Show SMILES CN1CCN(CC1)C(=O)[C@H](COCc1ccccc1)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C25H29Cl2N3O3/c1-29-11-13-30(14-12-29)23(31)22(17-33-16-18-5-3-2-4-6-18)28-24(32)25(9-10-25)20-8-7-19(26)15-21(20)27/h2-8,15,22H,9-14,16-17H2,1H3,(H,28,32)/t22-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description Inhibition of human CYP3A4 using testosterone as substrate after 45 mins |
J Med Chem 55: 4322-35 (2012)
Article DOI: 10.1021/jm300122u BindingDB Entry DOI: 10.7270/Q2MG7QMF |
More data for this Ligand-Target Pair | |
Ceramide glucosyltransferase
(Homo sapiens (Human)) | BDBM50394819
(CHEMBL2163830)Show SMILES CN1CCN(CC1)C(=O)[C@H](COCc1ccccc1)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C25H29Cl2N3O3/c1-29-11-13-30(14-12-29)23(31)22(17-33-16-18-5-3-2-4-6-18)28-24(32)25(9-10-25)20-8-7-19(26)15-21(20)27/h2-8,15,22H,9-14,16-17H2,1H3,(H,28,32)/t22-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description Inhibition of GCS assessed as amount of UDP glucose after 3 hrs by Fluorometry analysis |
J Med Chem 55: 4322-35 (2012)
Article DOI: 10.1021/jm300122u BindingDB Entry DOI: 10.7270/Q2MG7QMF |
More data for this Ligand-Target Pair | |
Ceramide glucosyltransferase
(Homo sapiens (Human)) | BDBM50394819
(CHEMBL2163830)Show SMILES CN1CCN(CC1)C(=O)[C@H](COCc1ccccc1)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C25H29Cl2N3O3/c1-29-11-13-30(14-12-29)23(31)22(17-33-16-18-5-3-2-4-6-18)28-24(32)25(9-10-25)20-8-7-19(26)15-21(20)27/h2-8,15,22H,9-14,16-17H2,1H3,(H,28,32)/t22-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
Exelixis
Curated by ChEMBL
| Assay Description Inhibition of GCS in human A549 cells assessed as decrease in GM1 synthesis after 72 hrs by Fluorescence assay |
J Med Chem 55: 4322-35 (2012)
Article DOI: 10.1021/jm300122u BindingDB Entry DOI: 10.7270/Q2MG7QMF |
More data for this Ligand-Target Pair | |