Found 9 hits with Last Name = 'vostokova' and Initial = 'nv' 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 |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50387084
(BMS-790052 | DACLATASVIR)Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc(c[nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1c[nH]c(n1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C40H50N8O6/c1-23(2)33(45-39(51)53-5)37(49)47-19-7-9-31(47)35-41-21-29(43-35)27-15-11-25(12-16-27)26-13-17-28(18-14-26)30-22-42-36(44-30)32-10-8-20-48(32)38(50)34(24(3)4)46-40(52)54-6/h11-18,21-24,31-34H,7-10,19-20H2,1-6H3,(H,41,43)(H,42,44)(H,45,51)(H,46,52)/t31-,32-,33-,34-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Alla Chem LLC
Curated by ChEMBL
| Assay Description Inhibition of human liver CYP3A4 |
J Med Chem 57: 7716-30 (2014)
Article DOI: 10.1021/jm500951r BindingDB Entry DOI: 10.7270/Q2P55Q21 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50023279
(CHEMBL3341815)Show SMILES Cl.COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1c1ncc([nH]1)C#CC#Cc1ccc(cc1)-c1cnc([nH]1)[C@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C38H44N8O6/c1-23(2)31(43-37(49)51-5)35(47)45-19-9-13-29(45)33-39-21-27(41-33)12-8-7-11-25-15-17-26(18-16-25)28-22-40-34(42-28)30-14-10-20-46(30)36(48)32(24(3)4)44-38(50)52-6/h15-18,21-24,29-32H,9-10,13-14,19-20H2,1-6H3,(H,43,49)(H,44,50)/t29-,30-,31+,32+/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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Alla Chem LLC
Curated by ChEMBL
| Assay Description Inhibition of human liver CYP2C9 |
J Med Chem 57: 7716-30 (2014)
Article DOI: 10.1021/jm500951r BindingDB Entry DOI: 10.7270/Q2P55Q21 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50023279
(CHEMBL3341815)Show SMILES Cl.COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1c1ncc([nH]1)C#CC#Cc1ccc(cc1)-c1cnc([nH]1)[C@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C38H44N8O6/c1-23(2)31(43-37(49)51-5)35(47)45-19-9-13-29(45)33-39-21-27(41-33)12-8-7-11-25-15-17-26(18-16-25)28-22-40-34(42-28)30-14-10-20-46(30)36(48)32(24(3)4)44-38(50)52-6/h15-18,21-24,29-32H,9-10,13-14,19-20H2,1-6H3,(H,43,49)(H,44,50)/t29-,30-,31+,32+/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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Alla Chem LLC
Curated by ChEMBL
| Assay Description Inhibition of human liver CYP3A4 |
J Med Chem 57: 7716-30 (2014)
Article DOI: 10.1021/jm500951r BindingDB Entry DOI: 10.7270/Q2P55Q21 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50023279
(CHEMBL3341815)Show SMILES Cl.COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1c1ncc([nH]1)C#CC#Cc1ccc(cc1)-c1cnc([nH]1)[C@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C38H44N8O6/c1-23(2)31(43-37(49)51-5)35(47)45-19-9-13-29(45)33-39-21-27(41-33)12-8-7-11-25-15-17-26(18-16-25)28-22-40-34(42-28)30-14-10-20-46(30)36(48)32(24(3)4)44-38(50)52-6/h15-18,21-24,29-32H,9-10,13-14,19-20H2,1-6H3,(H,43,49)(H,44,50)/t29-,30-,31+,32+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Alla Chem LLC
Curated by ChEMBL
| Assay Description Inhibition of human liver CYP2D6 |
J Med Chem 57: 7716-30 (2014)
Article DOI: 10.1021/jm500951r BindingDB Entry DOI: 10.7270/Q2P55Q21 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50023279
(CHEMBL3341815)Show SMILES Cl.COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1c1ncc([nH]1)C#CC#Cc1ccc(cc1)-c1cnc([nH]1)[C@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C38H44N8O6/c1-23(2)31(43-37(49)51-5)35(47)45-19-9-13-29(45)33-39-21-27(41-33)12-8-7-11-25-15-17-26(18-16-25)28-22-40-34(42-28)30-14-10-20-46(30)36(48)32(24(3)4)44-38(50)52-6/h15-18,21-24,29-32H,9-10,13-14,19-20H2,1-6H3,(H,43,49)(H,44,50)/t29-,30-,31+,32+/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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Alla Chem LLC
Curated by ChEMBL
| Assay Description Inhibition of human liver CYP2C19 |
J Med Chem 57: 7716-30 (2014)
Article DOI: 10.1021/jm500951r BindingDB Entry DOI: 10.7270/Q2P55Q21 |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50023279
(CHEMBL3341815)Show SMILES Cl.COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1c1ncc([nH]1)C#CC#Cc1ccc(cc1)-c1cnc([nH]1)[C@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C38H44N8O6/c1-23(2)31(43-37(49)51-5)35(47)45-19-9-13-29(45)33-39-21-27(41-33)12-8-7-11-25-15-17-26(18-16-25)28-22-40-34(42-28)30-14-10-20-46(30)36(48)32(24(3)4)44-38(50)52-6/h15-18,21-24,29-32H,9-10,13-14,19-20H2,1-6H3,(H,43,49)(H,44,50)/t29-,30-,31+,32+/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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Alla Chem LLC
Curated by ChEMBL
| Assay Description Inhibition of human liver CYP1A2 |
J Med Chem 57: 7716-30 (2014)
Article DOI: 10.1021/jm500951r BindingDB Entry DOI: 10.7270/Q2P55Q21 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50387084
(BMS-790052 | DACLATASVIR)Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc(c[nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1c[nH]c(n1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C40H50N8O6/c1-23(2)33(45-39(51)53-5)37(49)47-19-7-9-31(47)35-41-21-29(43-35)27-15-11-25(12-16-27)26-13-17-28(18-14-26)30-22-42-36(44-30)32-10-8-20-48(32)38(50)34(24(3)4)46-40(52)54-6/h11-18,21-24,31-34H,7-10,19-20H2,1-6H3,(H,41,43)(H,42,44)(H,45,51)(H,46,52)/t31-,32-,33-,34-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.95E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Alla Chem LLC
Curated by ChEMBL
| Assay Description Inhibition of human liver CYP2C9 |
J Med Chem 57: 7716-30 (2014)
Article DOI: 10.1021/jm500951r BindingDB Entry DOI: 10.7270/Q2P55Q21 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50387084
(BMS-790052 | DACLATASVIR)Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc(c[nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1c[nH]c(n1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C40H50N8O6/c1-23(2)33(45-39(51)53-5)37(49)47-19-7-9-31(47)35-41-21-29(43-35)27-15-11-25(12-16-27)26-13-17-28(18-14-26)30-22-42-36(44-30)32-10-8-20-48(32)38(50)34(24(3)4)46-40(52)54-6/h11-18,21-24,31-34H,7-10,19-20H2,1-6H3,(H,41,43)(H,42,44)(H,45,51)(H,46,52)/t31-,32-,33-,34-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Alla Chem LLC
Curated by ChEMBL
| Assay Description Inhibition of human liver CYP2D6 |
J Med Chem 57: 7716-30 (2014)
Article DOI: 10.1021/jm500951r BindingDB Entry DOI: 10.7270/Q2P55Q21 |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50387084
(BMS-790052 | DACLATASVIR)Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc(c[nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1c[nH]c(n1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C |r| Show InChI InChI=1S/C40H50N8O6/c1-23(2)33(45-39(51)53-5)37(49)47-19-7-9-31(47)35-41-21-29(43-35)27-15-11-25(12-16-27)26-13-17-28(18-14-26)30-22-42-36(44-30)32-10-8-20-48(32)38(50)34(24(3)4)46-40(52)54-6/h11-18,21-24,31-34H,7-10,19-20H2,1-6H3,(H,41,43)(H,42,44)(H,45,51)(H,46,52)/t31-,32-,33-,34-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Alla Chem LLC
Curated by ChEMBL
| Assay Description Inhibition of human liver CYP1A2 |
J Med Chem 57: 7716-30 (2014)
Article DOI: 10.1021/jm500951r BindingDB Entry DOI: 10.7270/Q2P55Q21 |
More data for this Ligand-Target Pair | |