Found 4 hits for monomerid = 50359177 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)) | BDBM50359177
(CHEMBL1923114)Show SMILES Fc1cc2CO[C@@]3(CCNC[C@@H]3C(=O)N(Cc3ccc(Cl)cc3Cl)C3CC3)c2cc1F |r| Show InChI InChI=1S/C23H22Cl2F2N2O2/c24-15-2-1-13(19(25)8-15)11-29(16-3-4-16)22(30)18-10-28-6-5-23(18)17-9-21(27)20(26)7-14(17)12-31-23/h1-2,7-9,16,18,28H,3-6,10-12H2/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
| 9.30E+3 | 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)) | BDBM50359177
(CHEMBL1923114)Show SMILES Fc1cc2CO[C@@]3(CCNC[C@@H]3C(=O)N(Cc3ccc(Cl)cc3Cl)C3CC3)c2cc1F |r| Show InChI InChI=1S/C23H22Cl2F2N2O2/c24-15-2-1-13(19(25)8-15)11-29(16-3-4-16)22(30)18-10-28-6-5-23(18)17-9-21(27)20(26)7-14(17)12-31-23/h1-2,7-9,16,18,28H,3-6,10-12H2/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 | 1.30 | 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)) | BDBM50359177
(CHEMBL1923114)Show SMILES Fc1cc2CO[C@@]3(CCNC[C@@H]3C(=O)N(Cc3ccc(Cl)cc3Cl)C3CC3)c2cc1F |r| Show InChI InChI=1S/C23H22Cl2F2N2O2/c24-15-2-1-13(19(25)8-15)11-29(16-3-4-16)22(30)18-10-28-6-5-23(18)17-9-21(27)20(26)7-14(17)12-31-23/h1-2,7-9,16,18,28H,3-6,10-12H2/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 | 39 | 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)) | BDBM50359177
(CHEMBL1923114)Show SMILES Fc1cc2CO[C@@]3(CCNC[C@@H]3C(=O)N(Cc3ccc(Cl)cc3Cl)C3CC3)c2cc1F |r| Show InChI InChI=1S/C23H22Cl2F2N2O2/c24-15-2-1-13(19(25)8-15)11-29(16-3-4-16)22(30)18-10-28-6-5-23(18)17-9-21(27)20(26)7-14(17)12-31-23/h1-2,7-9,16,18,28H,3-6,10-12H2/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 | 1.90E+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 | |