Found 4 hits for monomerid = 50328857 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 |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50328857
((3R,4S)-N-(2-chloro-5-(2-(3,3,3-trifluoropropanami...)Show SMILES Cc1cc(Cl)c(OCCOc2ccc(cc2)[C@H]2CCNC[C@@H]2C(=O)N(Cc2cc(CCNC(=O)CC(F)(F)F)ccc2Cl)C2CC2)c(Cl)c1 |r| Show InChI InChI=1S/C36H39Cl3F3N3O4/c1-22-16-31(38)34(32(39)17-22)49-15-14-48-27-7-3-24(4-8-27)28-11-12-43-20-29(28)35(47)45(26-5-6-26)21-25-18-23(2-9-30(25)37)10-13-44-33(46)19-36(40,41)42/h2-4,7-9,16-18,26,28-29,43H,5-6,10-15,19-21H2,1H3,(H,44,46)/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 | 2.80E+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)) | BDBM50328857
((3R,4S)-N-(2-chloro-5-(2-(3,3,3-trifluoropropanami...)Show SMILES Cc1cc(Cl)c(OCCOc2ccc(cc2)[C@H]2CCNC[C@@H]2C(=O)N(Cc2cc(CCNC(=O)CC(F)(F)F)ccc2Cl)C2CC2)c(Cl)c1 |r| Show InChI InChI=1S/C36H39Cl3F3N3O4/c1-22-16-31(38)34(32(39)17-22)49-15-14-48-27-7-3-24(4-8-27)28-11-12-43-20-29(28)35(47)45(26-5-6-26)21-25-18-23(2-9-30(25)37)10-13-44-33(46)19-36(40,41)42/h2-4,7-9,16-18,26,28-29,43H,5-6,10-15,19-21H2,1H3,(H,44,46)/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 | 9.5 | 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)) | BDBM50328857
((3R,4S)-N-(2-chloro-5-(2-(3,3,3-trifluoropropanami...)Show SMILES Cc1cc(Cl)c(OCCOc2ccc(cc2)[C@H]2CCNC[C@@H]2C(=O)N(Cc2cc(CCNC(=O)CC(F)(F)F)ccc2Cl)C2CC2)c(Cl)c1 |r| Show InChI InChI=1S/C36H39Cl3F3N3O4/c1-22-16-31(38)34(32(39)17-22)49-15-14-48-27-7-3-24(4-8-27)28-11-12-43-20-29(28)35(47)45(26-5-6-26)21-25-18-23(2-9-30(25)37)10-13-44-33(46)19-36(40,41)42/h2-4,7-9,16-18,26,28-29,43H,5-6,10-15,19-21H2,1H3,(H,44,46)/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 | 4.50E+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 | |
Renin
(Homo sapiens (Human)) | BDBM50328857
((3R,4S)-N-(2-chloro-5-(2-(3,3,3-trifluoropropanami...)Show SMILES Cc1cc(Cl)c(OCCOc2ccc(cc2)[C@H]2CCNC[C@@H]2C(=O)N(Cc2cc(CCNC(=O)CC(F)(F)F)ccc2Cl)C2CC2)c(Cl)c1 |r| Show InChI InChI=1S/C36H39Cl3F3N3O4/c1-22-16-31(38)34(32(39)17-22)49-15-14-48-27-7-3-24(4-8-27)28-11-12-43-20-29(28)35(47)45(26-5-6-26)21-25-18-23(2-9-30(25)37)10-13-44-33(46)19-36(40,41)42/h2-4,7-9,16-18,26,28-29,43H,5-6,10-15,19-21H2,1H3,(H,44,46)/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 | 0.410 | 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 | |