Found 4 hits for monomerid = 50328851 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)) | BDBM50328851
((3R,4S)-N-(2-chloro-5-(2-(methylamino)ethyl)benzyl...)Show SMILES CNCCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 |r| Show InChI InChI=1S/C34H40Cl3N3O3/c1-22-17-31(36)33(32(37)18-22)43-16-15-42-27-8-4-24(5-9-27)28-12-14-39-20-29(28)34(41)40(26-6-7-26)21-25-19-23(11-13-38-2)3-10-30(25)35/h3-5,8-10,17-19,26,28-29,38-39H,6-7,11-16,20-21H2,1-2H3/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 | 3.90 | 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 | 3D Structure (docked) |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50328851
((3R,4S)-N-(2-chloro-5-(2-(methylamino)ethyl)benzyl...)Show SMILES CNCCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 |r| Show InChI InChI=1S/C34H40Cl3N3O3/c1-22-17-31(36)33(32(37)18-22)43-16-15-42-27-8-4-24(5-9-27)28-12-14-39-20-29(28)34(41)40(26-6-7-26)21-25-19-23(11-13-38-2)3-10-30(25)35/h3-5,8-10,17-19,26,28-29,38-39H,6-7,11-16,20-21H2,1-2H3/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 | 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 using testosterone 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)) | BDBM50328851
((3R,4S)-N-(2-chloro-5-(2-(methylamino)ethyl)benzyl...)Show SMILES CNCCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 |r| Show InChI InChI=1S/C34H40Cl3N3O3/c1-22-17-31(36)33(32(37)18-22)43-16-15-42-27-8-4-24(5-9-27)28-12-14-39-20-29(28)34(41)40(26-6-7-26)21-25-19-23(11-13-38-2)3-10-30(25)35/h3-5,8-10,17-19,26,28-29,38-39H,6-7,11-16,20-21H2,1-2H3/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 | 91 | 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 | 3D Structure (docked) |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50328851
((3R,4S)-N-(2-chloro-5-(2-(methylamino)ethyl)benzyl...)Show SMILES CNCCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 |r| Show InChI InChI=1S/C34H40Cl3N3O3/c1-22-17-31(36)33(32(37)18-22)43-16-15-42-27-8-4-24(5-9-27)28-12-14-39-20-29(28)34(41)40(26-6-7-26)21-25-19-23(11-13-38-2)3-10-30(25)35/h3-5,8-10,17-19,26,28-29,38-39H,6-7,11-16,20-21H2,1-2H3/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 | 1.40E+4 | 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 | |