Found 4 hits of ic50 for monomerid = 50328859 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 |
Renin
(Homo sapiens (Human)) | BDBM50328859
((3R,4S)-N-(5-(acetamidomethyl)-2-chlorobenzyl)-N-c...)Show SMILES CC(=O)NCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 |r| Show InChI InChI=1S/C34H38Cl3N3O4/c1-21-15-31(36)33(32(37)16-21)44-14-13-43-27-8-4-24(5-9-27)28-11-12-38-19-29(28)34(42)40(26-6-7-26)20-25-17-23(3-10-30(25)35)18-39-22(2)41/h3-5,8-10,15-17,26,28-29,38H,6-7,11-14,18-20H2,1-2H3,(H,39,41)/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 | 4.10 | 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 | 3D Structure (docked) |
Renin
(Homo sapiens (Human)) | BDBM50328859
((3R,4S)-N-(5-(acetamidomethyl)-2-chlorobenzyl)-N-c...)Show SMILES CC(=O)NCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 |r| Show InChI InChI=1S/C34H38Cl3N3O4/c1-21-15-31(36)33(32(37)16-21)44-14-13-43-27-8-4-24(5-9-27)28-11-12-38-19-29(28)34(42)40(26-6-7-26)20-25-17-23(3-10-30(25)35)18-39-22(2)41/h3-5,8-10,15-17,26,28-29,38H,6-7,11-14,18-20H2,1-2H3,(H,39,41)/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 | 4.10 | 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 | 3D Structure (docked) |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50328859
((3R,4S)-N-(5-(acetamidomethyl)-2-chlorobenzyl)-N-c...)Show SMILES CC(=O)NCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 |r| Show InChI InChI=1S/C34H38Cl3N3O4/c1-21-15-31(36)33(32(37)16-21)44-14-13-43-27-8-4-24(5-9-27)28-11-12-38-19-29(28)34(42)40(26-6-7-26)20-25-17-23(3-10-30(25)35)18-39-22(2)41/h3-5,8-10,15-17,26,28-29,38H,6-7,11-14,18-20H2,1-2H3,(H,39,41)/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 | 5.10E+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 | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50328859
((3R,4S)-N-(5-(acetamidomethyl)-2-chlorobenzyl)-N-c...)Show SMILES CC(=O)NCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 |r| Show InChI InChI=1S/C34H38Cl3N3O4/c1-21-15-31(36)33(32(37)16-21)44-14-13-43-27-8-4-24(5-9-27)28-11-12-38-19-29(28)34(42)40(26-6-7-26)20-25-17-23(3-10-30(25)35)18-39-22(2)41/h3-5,8-10,15-17,26,28-29,38H,6-7,11-14,18-20H2,1-2H3,(H,39,41)/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 | 8.40E+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 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 | |