Found 3 hits in this display Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/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)) | BDBM50355537
(CHEMBL1910303)Show SMILES COCCCn1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)c2c(F)ccc(CCC#N)c12 |r| Show InChI InChI=1S/C31H35F3N4O3/c1-41-15-3-14-37-18-21(28-26(33)9-5-20(29(28)37)4-2-12-35)19-38(23-7-8-23)30(39)24-17-36-13-11-31(24,40)22-6-10-25(32)27(34)16-22/h5-6,9-10,16,18,23-24,36,40H,2-4,7-8,11,13-15,17,19H2,1H3/t24-,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
| 600 | 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 Binding affinity to human ERG |
Bioorg Med Chem Lett 21: 3976-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.014 BindingDB Entry DOI: 10.7270/Q21N81HN |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50355537
(CHEMBL1910303)Show SMILES COCCCn1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)c2c(F)ccc(CCC#N)c12 |r| Show InChI InChI=1S/C31H35F3N4O3/c1-41-15-3-14-37-18-21(28-26(33)9-5-20(29(28)37)4-2-12-35)19-38(23-7-8-23)30(39)24-17-36-13-11-31(24,40)22-6-10-25(32)27(34)16-22/h5-6,9-10,16,18,23-24,36,40H,2-4,7-8,11,13-15,17,19H2,1H3/t24-,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 | 0.260 | 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 recombinant renin using DNP-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-D,L-Amp as Q-FRET substrate after 3 hrs by fluorescence assay |
Bioorg Med Chem Lett 21: 3976-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.014 BindingDB Entry DOI: 10.7270/Q21N81HN |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50355537
(CHEMBL1910303)Show SMILES COCCCn1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)c2c(F)ccc(CCC#N)c12 |r| Show InChI InChI=1S/C31H35F3N4O3/c1-41-15-3-14-37-18-21(28-26(33)9-5-20(29(28)37)4-2-12-35)19-38(23-7-8-23)30(39)24-17-36-13-11-31(24,40)22-6-10-25(32)27(34)16-22/h5-6,9-10,16,18,23-24,36,40H,2-4,7-8,11,13-15,17,19H2,1H3/t24-,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 | 2.5 | 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 recombinant renin in human plasma using QXL520-Lys-His-Pro-Phe-His-Leu-Val-Ile-His-Lys-(5-FAM) as Q-FRET substrate after 1 hr by ... |
Bioorg Med Chem Lett 21: 3976-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.014 BindingDB Entry DOI: 10.7270/Q21N81HN |
More data for this Ligand-Target Pair | |