Found 4 hits for monomerid = 50359181 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)) | BDBM50359181
(CHEMBL1923118)Show SMILES Fc1cc2CO[C@@]3(CCNC[C@@H]3C(=O)N(Cc3cccc(c3Cl)C(F)(F)F)C3CC3)c2cc1F |r| Show InChI InChI=1S/C24H22ClF5N2O2/c25-21-13(2-1-3-16(21)24(28,29)30)11-32(15-4-5-15)22(33)18-10-31-7-6-23(18)17-9-20(27)19(26)8-14(17)12-34-23/h1-3,8-9,15,18,31H,4-7,10-12H2/t18-,23+/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)) | BDBM50359181
(CHEMBL1923118)Show SMILES Fc1cc2CO[C@@]3(CCNC[C@@H]3C(=O)N(Cc3cccc(c3Cl)C(F)(F)F)C3CC3)c2cc1F |r| Show InChI InChI=1S/C24H22ClF5N2O2/c25-21-13(2-1-3-16(21)24(28,29)30)11-32(15-4-5-15)22(33)18-10-31-7-6-23(18)17-9-20(27)19(26)8-14(17)12-34-23/h1-3,8-9,15,18,31H,4-7,10-12H2/t18-,23+/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 | 0.5 | 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)) | BDBM50359181
(CHEMBL1923118)Show SMILES Fc1cc2CO[C@@]3(CCNC[C@@H]3C(=O)N(Cc3cccc(c3Cl)C(F)(F)F)C3CC3)c2cc1F |r| Show InChI InChI=1S/C24H22ClF5N2O2/c25-21-13(2-1-3-16(21)24(28,29)30)11-32(15-4-5-15)22(33)18-10-31-7-6-23(18)17-9-20(27)19(26)8-14(17)12-34-23/h1-3,8-9,15,18,31H,4-7,10-12H2/t18-,23+/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 | 11 | 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)) | BDBM50359181
(CHEMBL1923118)Show SMILES Fc1cc2CO[C@@]3(CCNC[C@@H]3C(=O)N(Cc3cccc(c3Cl)C(F)(F)F)C3CC3)c2cc1F |r| Show InChI InChI=1S/C24H22ClF5N2O2/c25-21-13(2-1-3-16(21)24(28,29)30)11-32(15-4-5-15)22(33)18-10-31-7-6-23(18)17-9-20(27)19(26)8-14(17)12-34-23/h1-3,8-9,15,18,31H,4-7,10-12H2/t18-,23+/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 | 3.60E+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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