Found 2 hits for monomerid = 50380671 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)) | BDBM50380671
(CHEMBL2017275)Show SMILES COc1cc2c(Nc3ccccc3CCN3CCOCC3)c(cnc2cc1-c1c(C)noc1C)C(N)=O |(-7.39,1.64,;-7.39,.1,;-6.05,-.67,;-4.72,.1,;-3.39,-.66,;-2.06,.11,;-2.07,1.65,;-3.41,2.41,;-4.72,1.63,;-6.06,2.39,;-6.07,3.94,;-4.74,4.71,;-3.41,3.95,;-2.07,4.72,;-.74,3.96,;.59,4.73,;1.93,3.95,;3.26,4.72,;3.27,6.26,;1.93,7.03,;.59,6.26,;-.73,-.65,;-.72,-2.2,;-2.05,-2.97,;-3.39,-2.21,;-4.72,-2.98,;-6.06,-2.21,;-7.39,-2.98,;-7.42,-4.52,;-6.2,-5.46,;-8.9,-4.97,;-9.78,-3.71,;-8.85,-2.48,;-9.29,-1.01,;.6,.13,;1.94,-.63,;.59,1.67,)| Show InChI InChI=1S/C28H31N5O4/c1-17-26(18(2)37-32-17)21-14-24-20(15-25(21)35-3)27(22(16-30-24)28(29)34)31-23-7-5-4-6-19(23)8-9-33-10-12-36-13-11-33/h4-7,14-16H,8-13H2,1-3H3,(H2,29,34)(H,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 |
Bioorg Med Chem Lett 22: 2963-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.125 BindingDB Entry DOI: 10.7270/Q2ZC83VK |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50380671
(CHEMBL2017275)Show SMILES COc1cc2c(Nc3ccccc3CCN3CCOCC3)c(cnc2cc1-c1c(C)noc1C)C(N)=O |(-7.39,1.64,;-7.39,.1,;-6.05,-.67,;-4.72,.1,;-3.39,-.66,;-2.06,.11,;-2.07,1.65,;-3.41,2.41,;-4.72,1.63,;-6.06,2.39,;-6.07,3.94,;-4.74,4.71,;-3.41,3.95,;-2.07,4.72,;-.74,3.96,;.59,4.73,;1.93,3.95,;3.26,4.72,;3.27,6.26,;1.93,7.03,;.59,6.26,;-.73,-.65,;-.72,-2.2,;-2.05,-2.97,;-3.39,-2.21,;-4.72,-2.98,;-6.06,-2.21,;-7.39,-2.98,;-7.42,-4.52,;-6.2,-5.46,;-8.9,-4.97,;-9.78,-3.71,;-8.85,-2.48,;-9.29,-1.01,;.6,.13,;1.94,-.63,;.59,1.67,)| Show InChI InChI=1S/C28H31N5O4/c1-17-26(18(2)37-32-17)21-14-24-20(15-25(21)35-3)27(22(16-30-24)28(29)34)31-23-7-5-4-6-19(23)8-9-33-10-12-36-13-11-33/h4-7,14-16H,8-13H2,1-3H3,(H2,29,34)(H,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 |
Bioorg Med Chem Lett 22: 2963-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.125 BindingDB Entry DOI: 10.7270/Q2ZC83VK |
More data for this Ligand-Target Pair | |