Found 4 hits for monomerid = 50359184 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)) | BDBM50359184
(CHEMBL1923121)Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c2ccccc2c1 |r| Show InChI InChI=1S/C31H34F2N2O3/c1-37-12-4-5-20-13-21-6-2-3-7-25(21)22(14-20)18-35(24-8-9-24)30(36)27-17-34-11-10-31(27)26-16-29(33)28(32)15-23(26)19-38-31/h2-3,6-7,13-16,24,27,34H,4-5,8-12,17-19H2,1H3/t27-,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
| 1.20E+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)) | BDBM50359184
(CHEMBL1923121)Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c2ccccc2c1 |r| Show InChI InChI=1S/C31H34F2N2O3/c1-37-12-4-5-20-13-21-6-2-3-7-25(21)22(14-20)18-35(24-8-9-24)30(36)27-17-34-11-10-31(27)26-16-29(33)28(32)15-23(26)19-38-31/h2-3,6-7,13-16,24,27,34H,4-5,8-12,17-19H2,1H3/t27-,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 | 0.0900 | 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)) | BDBM50359184
(CHEMBL1923121)Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c2ccccc2c1 |r| Show InChI InChI=1S/C31H34F2N2O3/c1-37-12-4-5-20-13-21-6-2-3-7-25(21)22(14-20)18-35(24-8-9-24)30(36)27-17-34-11-10-31(27)26-16-29(33)28(32)15-23(26)19-38-31/h2-3,6-7,13-16,24,27,34H,4-5,8-12,17-19H2,1H3/t27-,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 | 5.20 | 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)) | BDBM50359184
(CHEMBL1923121)Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c2ccccc2c1 |r| Show InChI InChI=1S/C31H34F2N2O3/c1-37-12-4-5-20-13-21-6-2-3-7-25(21)22(14-20)18-35(24-8-9-24)30(36)27-17-34-11-10-31(27)26-16-29(33)28(32)15-23(26)19-38-31/h2-3,6-7,13-16,24,27,34H,4-5,8-12,17-19H2,1H3/t27-,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 | 1.60E+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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