Found 5 hits for monomerid = 50328862 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 |
Renin
(Homo sapiens (Human)) | BDBM50328862
((3R,4S)-N-((5-chloro-2-(3-methoxypropyl)pyridin-4-...)Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c(Cl)cn1 |r| Show InChI InChI=1S/C34H40Cl3N3O4/c1-22-16-30(35)33(31(36)17-22)44-15-14-43-27-9-5-23(6-10-27)28-11-12-38-19-29(28)34(41)40(26-7-8-26)21-24-18-25(4-3-13-42-2)39-20-32(24)37/h5-6,9-10,16-18,20,26,28-29,38H,3-4,7-8,11-15,19,21H2,1-2H3/t28-,29+/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 | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description Inhibition of renin in plasma |
Bioorg Med Chem Lett 20: 6286-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.086 BindingDB Entry DOI: 10.7270/Q2WD40T3 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50328862
((3R,4S)-N-((5-chloro-2-(3-methoxypropyl)pyridin-4-...)Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c(Cl)cn1 |r| Show InChI InChI=1S/C34H40Cl3N3O4/c1-22-16-30(35)33(31(36)17-22)44-15-14-43-27-9-5-23(6-10-27)28-11-12-38-19-29(28)34(41)40(26-7-8-26)21-24-18-25(4-3-13-42-2)39-20-32(24)37/h5-6,9-10,16-18,20,26,28-29,38H,3-4,7-8,11-15,19,21H2,1-2H3/t28-,29+/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 | 5.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 using midazolam as substrate |
Bioorg Med Chem Lett 20: 6286-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.086 BindingDB Entry DOI: 10.7270/Q2WD40T3 |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50328862
((3R,4S)-N-((5-chloro-2-(3-methoxypropyl)pyridin-4-...)Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c(Cl)cn1 |r| Show InChI InChI=1S/C34H40Cl3N3O4/c1-22-16-30(35)33(31(36)17-22)44-15-14-43-27-9-5-23(6-10-27)28-11-12-38-19-29(28)34(41)40(26-7-8-26)21-24-18-25(4-3-13-42-2)39-20-32(24)37/h5-6,9-10,16-18,20,26,28-29,38H,3-4,7-8,11-15,19,21H2,1-2H3/t28-,29+/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 | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description Inhibition of renin in plasma |
Bioorg Med Chem Lett 20: 6291-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.087 BindingDB Entry DOI: 10.7270/Q2H70G2C |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50328862
((3R,4S)-N-((5-chloro-2-(3-methoxypropyl)pyridin-4-...)Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c(Cl)cn1 |r| Show InChI InChI=1S/C34H40Cl3N3O4/c1-22-16-30(35)33(31(36)17-22)44-15-14-43-27-9-5-23(6-10-27)28-11-12-38-19-29(28)34(41)40(26-7-8-26)21-24-18-25(4-3-13-42-2)39-20-32(24)37/h5-6,9-10,16-18,20,26,28-29,38H,3-4,7-8,11-15,19,21H2,1-2H3/t28-,29+/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 | 0.280 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description Inhibition of renin in buffer |
Bioorg Med Chem Lett 20: 6291-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.087 BindingDB Entry DOI: 10.7270/Q2H70G2C |
More data for this Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50328862
((3R,4S)-N-((5-chloro-2-(3-methoxypropyl)pyridin-4-...)Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c(Cl)cn1 |r| Show InChI InChI=1S/C34H40Cl3N3O4/c1-22-16-30(35)33(31(36)17-22)44-15-14-43-27-9-5-23(6-10-27)28-11-12-38-19-29(28)34(41)40(26-7-8-26)21-24-18-25(4-3-13-42-2)39-20-32(24)37/h5-6,9-10,16-18,20,26,28-29,38H,3-4,7-8,11-15,19,21H2,1-2H3/t28-,29+/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 | 0.280 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description Inhibition of renin in buffer |
Bioorg Med Chem Lett 20: 6286-90 (2010)
Article DOI: 10.1016/j.bmcl.2010.08.086 BindingDB Entry DOI: 10.7270/Q2WD40T3 |
More data for this Ligand-Target Pair | |