Found 4 hits for monomerid = 50359192 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)) | BDBM50359192
(CHEMBL1923129)Show SMILES COCCCc1cc(CCCCNS(C)(=O)=O)c(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c1 |r| Show InChI InChI=1S/C32H42ClF2N3O5S/c1-42-13-5-6-21-14-22(7-3-4-11-37-44(2,40)41)30(33)23(15-21)19-38(25-8-9-25)31(39)27-18-36-12-10-32(27)26-17-29(35)28(34)16-24(26)20-43-32/h14-17,25,27,36-37H,3-13,18-20H2,1-2H3/t27-,32+/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
| 8.20E+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)) | BDBM50359192
(CHEMBL1923129)Show SMILES COCCCc1cc(CCCCNS(C)(=O)=O)c(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c1 |r| Show InChI InChI=1S/C32H42ClF2N3O5S/c1-42-13-5-6-21-14-22(7-3-4-11-37-44(2,40)41)30(33)23(15-21)19-38(25-8-9-25)31(39)27-18-36-12-10-32(27)26-17-29(35)28(34)16-24(26)20-43-32/h14-17,25,27,36-37H,3-13,18-20H2,1-2H3/t27-,32+/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 | 0.0800 | 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)) | BDBM50359192
(CHEMBL1923129)Show SMILES COCCCc1cc(CCCCNS(C)(=O)=O)c(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c1 |r| Show InChI InChI=1S/C32H42ClF2N3O5S/c1-42-13-5-6-21-14-22(7-3-4-11-37-44(2,40)41)30(33)23(15-21)19-38(25-8-9-25)31(39)27-18-36-12-10-32(27)26-17-29(35)28(34)16-24(26)20-43-32/h14-17,25,27,36-37H,3-13,18-20H2,1-2H3/t27-,32+/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 | 0.400 | 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)) | BDBM50359192
(CHEMBL1923129)Show SMILES COCCCc1cc(CCCCNS(C)(=O)=O)c(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OCc3cc(F)c(F)cc23)c1 |r| Show InChI InChI=1S/C32H42ClF2N3O5S/c1-42-13-5-6-21-14-22(7-3-4-11-37-44(2,40)41)30(33)23(15-21)19-38(25-8-9-25)31(39)27-18-36-12-10-32(27)26-17-29(35)28(34)16-24(26)20-43-32/h14-17,25,27,36-37H,3-13,18-20H2,1-2H3/t27-,32+/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 | 2.20E+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 | |