Found 5 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)) | BDBM50347001
(CHEMBL1795903)Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)cc(OCCOC)c1 |r| Show InChI InChI=1S/C29H41N3O5/c1-31-11-9-23(18-28(31)33)26-8-10-30-19-27(26)29(34)32(24-6-7-24)20-22-15-21(5-4-12-35-2)16-25(17-22)37-14-13-36-3/h9,11,15-18,24,26-27,30H,4-8,10,12-14,19-20H2,1-3H3/t26-,27+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| >2.90E+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: 3970-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.013 BindingDB Entry DOI: 10.7270/Q2PN9608 |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50347001
(CHEMBL1795903)Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)cc(OCCOC)c1 |r| Show InChI InChI=1S/C29H41N3O5/c1-31-11-9-23(18-28(31)33)26-8-10-30-19-27(26)29(34)32(24-6-7-24)20-22-15-21(5-4-12-35-2)16-25(17-22)37-14-13-36-3/h9,11,15-18,24,26-27,30H,4-8,10,12-14,19-20H2,1-3H3/t26-,27+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 12 | 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)) | BDBM50347001
(CHEMBL1795903)Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)cc(OCCOC)c1 |r| Show InChI InChI=1S/C29H41N3O5/c1-31-11-9-23(18-28(31)33)26-8-10-30-19-27(26)29(34)32(24-6-7-24)20-22-15-21(5-4-12-35-2)16-25(17-22)37-14-13-36-3/h9,11,15-18,24,26-27,30H,4-8,10,12-14,19-20H2,1-3H3/t26-,27+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 12 | 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 Q-FRET substrate after 3 hrs by fluorescence assay |
Bioorg Med Chem Lett 21: 3970-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.013 BindingDB Entry DOI: 10.7270/Q2PN9608 |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50347001
(CHEMBL1795903)Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)cc(OCCOC)c1 |r| Show InChI InChI=1S/C29H41N3O5/c1-31-11-9-23(18-28(31)33)26-8-10-30-19-27(26)29(34)32(24-6-7-24)20-22-15-21(5-4-12-35-2)16-25(17-22)37-14-13-36-3/h9,11,15-18,24,26-27,30H,4-8,10,12-14,19-20H2,1-3H3/t26-,27+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 31 | 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 renin in human plasma using Q-FRET substrate pretreated for 10 mins before substrate addition measured after 1 hr |
Bioorg Med Chem Lett 21: 3970-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.013 BindingDB Entry DOI: 10.7270/Q2PN9608 |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50347001
(CHEMBL1795903)Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccn(C)c(=O)c2)cc(OCCOC)c1 |r| Show InChI InChI=1S/C29H41N3O5/c1-31-11-9-23(18-28(31)33)26-8-10-30-19-27(26)29(34)32(24-6-7-24)20-22-15-21(5-4-12-35-2)16-25(17-22)37-14-13-36-3/h9,11,15-18,24,26-27,30H,4-8,10,12-14,19-20H2,1-3H3/t26-,27+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 31 | 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 | |