Found 4 hits for monomerid = 50359173 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)) | BDBM50359173
(CHEMBL1923110)Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OC(=O)Cc3ccccc23)cc(OCCOC)c1 |r| Show InChI InChI=1S/C31H40N2O6/c1-36-13-5-6-22-16-23(18-26(17-22)38-15-14-37-2)21-33(25-9-10-25)30(35)28-20-32-12-11-31(28)27-8-4-3-7-24(27)19-29(34)39-31/h3-4,7-8,16-18,25,28,32H,5-6,9-15,19-21H2,1-2H3/t28-,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
| 4.30E+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)) | BDBM50359173
(CHEMBL1923110)Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OC(=O)Cc3ccccc23)cc(OCCOC)c1 |r| Show InChI InChI=1S/C31H40N2O6/c1-36-13-5-6-22-16-23(18-26(17-22)38-15-14-37-2)21-33(25-9-10-25)30(35)28-20-32-12-11-31(28)27-8-4-3-7-24(27)19-29(34)39-31/h3-4,7-8,16-18,25,28,32H,5-6,9-15,19-21H2,1-2H3/t28-,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 | 90 | 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)) | BDBM50359173
(CHEMBL1923110)Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OC(=O)Cc3ccccc23)cc(OCCOC)c1 |r| Show InChI InChI=1S/C31H40N2O6/c1-36-13-5-6-22-16-23(18-26(17-22)38-15-14-37-2)21-33(25-9-10-25)30(35)28-20-32-12-11-31(28)27-8-4-3-7-24(27)19-29(34)39-31/h3-4,7-8,16-18,25,28,32H,5-6,9-15,19-21H2,1-2H3/t28-,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 | 290 | 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)) | BDBM50359173
(CHEMBL1923110)Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OC(=O)Cc3ccccc23)cc(OCCOC)c1 |r| Show InChI InChI=1S/C31H40N2O6/c1-36-13-5-6-22-16-23(18-26(17-22)38-15-14-37-2)21-33(25-9-10-25)30(35)28-20-32-12-11-31(28)27-8-4-3-7-24(27)19-29(34)39-31/h3-4,7-8,16-18,25,28,32H,5-6,9-15,19-21H2,1-2H3/t28-,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 | 5.60E+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 | |
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