Found 4 hits for monomerid = 50359171 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 |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50359171
(CHEMBL1923108)Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCCc3ccccc23)cc(OCCOC)c1 |r| Show InChI InChI=1S/C31H42N2O5/c1-35-14-5-6-23-18-24(20-27(19-23)37-17-16-36-2)22-33(26-9-10-26)30(34)29-21-32-13-12-31(29)28-8-4-3-7-25(28)11-15-38-31/h3-4,7-8,18-20,26,29,32H,5-6,9-17,21-22H2,1-2H3/t29-,31+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
Bioorg Med Chem Lett 21: 7399-404 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.013 BindingDB Entry DOI: 10.7270/Q2PC32SW |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50359171
(CHEMBL1923108)Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCCc3ccccc23)cc(OCCOC)c1 |r| Show InChI InChI=1S/C31H42N2O5/c1-35-14-5-6-23-18-24(20-27(19-23)37-17-16-36-2)22-33(26-9-10-26)30(34)29-21-32-13-12-31(29)28-8-4-3-7-25(28)11-15-38-31/h3-4,7-8,18-20,26,29,32H,5-6,9-17,21-22H2,1-2H3/t29-,31+/m1/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 | 390 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description Inhibition of recombinant human renin using 9 DNP-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-D,L-Amp as substrate after 3 hrs by Q-FRET assay in presence of... |
Bioorg Med Chem Lett 21: 7399-404 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.013 BindingDB Entry DOI: 10.7270/Q2PC32SW |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50359171
(CHEMBL1923108)Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCCc3ccccc23)cc(OCCOC)c1 |r| Show InChI InChI=1S/C31H42N2O5/c1-35-14-5-6-23-18-24(20-27(19-23)37-17-16-36-2)22-33(26-9-10-26)30(34)29-21-32-13-12-31(29)28-8-4-3-7-25(28)11-15-38-31/h3-4,7-8,18-20,26,29,32H,5-6,9-17,21-22H2,1-2H3/t29-,31+/m1/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 | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description Inhibition of recombinant human renin in human plasma using QXL520-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-Lys-(5-FAM) as substrate preincubated for 10 m... |
Bioorg Med Chem Lett 21: 7399-404 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.013 BindingDB Entry DOI: 10.7270/Q2PC32SW |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50359171
(CHEMBL1923108)Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCCc3ccccc23)cc(OCCOC)c1 |r| Show InChI InChI=1S/C31H42N2O5/c1-35-14-5-6-23-18-24(20-27(19-23)37-17-16-36-2)22-33(26-9-10-26)30(34)29-21-32-13-12-31(29)28-8-4-3-7-25(28)11-15-38-31/h3-4,7-8,18-20,26,29,32H,5-6,9-17,21-22H2,1-2H3/t29-,31+/m1/s1 | 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 | 6.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description Reversible inhibition of CYP3A4 |
Bioorg Med Chem Lett 21: 7399-404 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.013 BindingDB Entry DOI: 10.7270/Q2PC32SW |
More data for this Ligand-Target Pair | |