Found 6 hits for monomerid = 50355526 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 |
Renin
(Homo sapiens (Human)) | BDBM50355526
(CHEMBL1910292)Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)cc(OCCOC)c1 |r| Show InChI InChI=1S/C29H38F2N2O5/c1-36-11-3-4-20-14-21(16-24(15-20)38-13-12-37-2)19-33(23-6-7-23)28(34)25-18-32-10-9-29(25,35)22-5-8-26(30)27(31)17-22/h5,8,14-17,23,25,32,35H,3-4,6-7,9-13,18-19H2,1-2H3/t25-,29+/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 | 97 | 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 recombinant renin in human plasma using QXL520-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-Lys-(5-FAM) as Q-FRET substrate after 1 hr by ... |
Bioorg Med Chem Lett 21: 3976-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.014 BindingDB Entry DOI: 10.7270/Q21N81HN |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50355526
(CHEMBL1910292)Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)cc(OCCOC)c1 |r| Show InChI InChI=1S/C29H38F2N2O5/c1-36-11-3-4-20-14-21(16-24(15-20)38-13-12-37-2)19-33(23-6-7-23)28(34)25-18-32-10-9-29(25,35)22-5-8-26(30)27(31)17-22/h5,8,14-17,23,25,32,35H,3-4,6-7,9-13,18-19H2,1-2H3/t25-,29+/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 | 13 | 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 recombinant renin using DNP-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-D,L-Amp as Q-FRET substrate after 3 hrs by fluorescence assay |
Bioorg Med Chem Lett 21: 3976-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.014 BindingDB Entry DOI: 10.7270/Q21N81HN |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50355526
(CHEMBL1910292)Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)cc(OCCOC)c1 |r| Show InChI InChI=1S/C29H38F2N2O5/c1-36-11-3-4-20-14-21(16-24(15-20)38-13-12-37-2)19-33(23-6-7-23)28(34)25-18-32-10-9-29(25,35)22-5-8-26(30)27(31)17-22/h5,8,14-17,23,25,32,35H,3-4,6-7,9-13,18-19H2,1-2H3/t25-,29+/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 | 900 | 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 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 | |
Renin
(Homo sapiens (Human)) | BDBM50355526
(CHEMBL1910292)Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)cc(OCCOC)c1 |r| Show InChI InChI=1S/C29H38F2N2O5/c1-36-11-3-4-20-14-21(16-24(15-20)38-13-12-37-2)19-33(23-6-7-23)28(34)25-18-32-10-9-29(25,35)22-5-8-26(30)27(31)17-22/h5,8,14-17,23,25,32,35H,3-4,6-7,9-13,18-19H2,1-2H3/t25-,29+/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 | 6.40 | 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)) | BDBM50355526
(CHEMBL1910292)Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)cc(OCCOC)c1 |r| Show InChI InChI=1S/C29H38F2N2O5/c1-36-11-3-4-20-14-21(16-24(15-20)38-13-12-37-2)19-33(23-6-7-23)28(34)25-18-32-10-9-29(25,35)22-5-8-26(30)27(31)17-22/h5,8,14-17,23,25,32,35H,3-4,6-7,9-13,18-19H2,1-2H3/t25-,29+/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 | 42 | 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 | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50355526
(CHEMBL1910292)Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)cc(OCCOC)c1 |r| Show InChI InChI=1S/C29H38F2N2O5/c1-36-11-3-4-20-14-21(16-24(15-20)38-13-12-37-2)19-33(23-6-7-23)28(34)25-18-32-10-9-29(25,35)22-5-8-26(30)27(31)17-22/h5,8,14-17,23,25,32,35H,3-4,6-7,9-13,18-19H2,1-2H3/t25-,29+/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 | 4.50E+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 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 | |