Found 8 hits with Last Name = 'stoessel' and Initial = 'c' 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)) | BDBM50134247
(4-(10-{4-[2-((6S,10R,17S)-17-Hydroxy-10-methyl-3-o...)Show SMILES CCOC(=O)CCCn1c(=O)nc2n(CCCCOC(=O)C[C@@H]3CC4C5CC[C@H](O)C5CCC4[C@@]4(C)CCC(=O)C=C34)c3ccccc3cc2c1=O |t:42| Show InChI InChI=1S/C41H51N3O8/c1-3-51-36(47)11-8-19-44-39(49)31-21-25-9-4-5-10-34(25)43(38(31)42-40(44)50)18-6-7-20-52-37(48)23-26-22-30-28-13-15-35(46)29(28)12-14-32(30)41(2)17-16-27(45)24-33(26)41/h4-5,9-10,21,24,26,28-30,32,35,46H,3,6-8,11-20,22-23H2,1-2H3/t26-,28?,29?,30?,32?,35-,41+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Basel
Curated by ChEMBL
| Assay Description
Inhibition of Cytochrome P450 3A4 with midazolam (4-OH) |
Bioorg Med Chem Lett 13: 3643-5 (2003)
BindingDB Entry DOI: 10.7270/Q2XG9RP9 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50134247
(4-(10-{4-[2-((6S,10R,17S)-17-Hydroxy-10-methyl-3-o...)Show SMILES CCOC(=O)CCCn1c(=O)nc2n(CCCCOC(=O)C[C@@H]3CC4C5CC[C@H](O)C5CCC4[C@@]4(C)CCC(=O)C=C34)c3ccccc3cc2c1=O |t:42| Show InChI InChI=1S/C41H51N3O8/c1-3-51-36(47)11-8-19-44-39(49)31-21-25-9-4-5-10-34(25)43(38(31)42-40(44)50)18-6-7-20-52-37(48)23-26-22-30-28-13-15-35(46)29(28)12-14-32(30)41(2)17-16-27(45)24-33(26)41/h4-5,9-10,21,24,26,28-30,32,35,46H,3,6-8,11-20,22-23H2,1-2H3/t26-,28?,29?,30?,32?,35-,41+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Basel
Curated by ChEMBL
| Assay Description
Inhibition of Cytochrome P450 3A4 with midazolam (4-OH) |
Bioorg Med Chem Lett 13: 3643-5 (2003)
BindingDB Entry DOI: 10.7270/Q2XG9RP9 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50134247
(4-(10-{4-[2-((6S,10R,17S)-17-Hydroxy-10-methyl-3-o...)Show SMILES CCOC(=O)CCCn1c(=O)nc2n(CCCCOC(=O)C[C@@H]3CC4C5CC[C@H](O)C5CCC4[C@@]4(C)CCC(=O)C=C34)c3ccccc3cc2c1=O |t:42| Show InChI InChI=1S/C41H51N3O8/c1-3-51-36(47)11-8-19-44-39(49)31-21-25-9-4-5-10-34(25)43(38(31)42-40(44)50)18-6-7-20-52-37(48)23-26-22-30-28-13-15-35(46)29(28)12-14-32(30)41(2)17-16-27(45)24-33(26)41/h4-5,9-10,21,24,26,28-30,32,35,46H,3,6-8,11-20,22-23H2,1-2H3/t26-,28?,29?,30?,32?,35-,41+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Basel
Curated by ChEMBL
| Assay Description
Inhibition of Cytochrome P450 3A4 with testosterone |
Bioorg Med Chem Lett 13: 3643-5 (2003)
BindingDB Entry DOI: 10.7270/Q2XG9RP9 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50134247
(4-(10-{4-[2-((6S,10R,17S)-17-Hydroxy-10-methyl-3-o...)Show SMILES CCOC(=O)CCCn1c(=O)nc2n(CCCCOC(=O)C[C@@H]3CC4C5CC[C@H](O)C5CCC4[C@@]4(C)CCC(=O)C=C34)c3ccccc3cc2c1=O |t:42| Show InChI InChI=1S/C41H51N3O8/c1-3-51-36(47)11-8-19-44-39(49)31-21-25-9-4-5-10-34(25)43(38(31)42-40(44)50)18-6-7-20-52-37(48)23-26-22-30-28-13-15-35(46)29(28)12-14-32(30)41(2)17-16-27(45)24-33(26)41/h4-5,9-10,21,24,26,28-30,32,35,46H,3,6-8,11-20,22-23H2,1-2H3/t26-,28?,29?,30?,32?,35-,41+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Basel
Curated by ChEMBL
| Assay Description
Inhibition of Cytochrome P450 3A4 with midazolam (1'-OH) |
Bioorg Med Chem Lett 13: 3643-5 (2003)
BindingDB Entry DOI: 10.7270/Q2XG9RP9 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50134248
(Alpha-Hydroxy-Midazolam | CHEMBL1188 | US9333197, ...)Show SMILES OCc1ncc2CN=C(c3ccccc3F)c3cc(Cl)ccc3-n12 |t:7| Show InChI InChI=1S/C18H13ClFN3O/c19-11-5-6-16-14(7-11)18(13-3-1-2-4-15(13)20)22-9-12-8-21-17(10-24)23(12)16/h1-8,24H,9-10H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Basel
Curated by ChEMBL
| Assay Description
Binding affinity for Cytochrome P450 3A4; Range = 1-10 uM |
Bioorg Med Chem Lett 13: 3643-5 (2003)
BindingDB Entry DOI: 10.7270/Q2XG9RP9 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50134246
(8-Chloro-6-(2-fluoro-phenyl)-4H-2,5,10b-triaza-ben...)Show SMILES OC1N=C(c2ccccc2F)c2cc(Cl)ccc2-n2cncc12 |t:2| Show InChI InChI=1S/C17H11ClFN3O/c18-10-5-6-14-12(7-10)16(11-3-1-2-4-13(11)19)21-17(23)15-8-20-9-22(14)15/h1-9,17,23H | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Basel
Curated by ChEMBL
| Assay Description
Binding affinity for Cytochrome P450 3A4; Range = 1-10 uM |
Bioorg Med Chem Lett 13: 3643-5 (2003)
BindingDB Entry DOI: 10.7270/Q2XG9RP9 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50336640
((nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-d...)Show SMILES COC(=O)C1C(C(C(=O)OC)=C(C)N=C1C)c1ccccc1[N+]([O-])=O |c:13,t:10| Show InChI InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,13,15H,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Basel
Curated by ChEMBL
| Assay Description
Binding affinity for Cytochrome P450 3A4; Range = 1-10 uM |
Bioorg Med Chem Lett 13: 3643-5 (2003)
BindingDB Entry DOI: 10.7270/Q2XG9RP9 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM8885
((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:18| Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| DrugBank
PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Basel
Curated by ChEMBL
| Assay Description
Binding affinity for Cytochrome P450 3A4; Range = 1-10 uM |
Bioorg Med Chem Lett 13: 3643-5 (2003)
BindingDB Entry DOI: 10.7270/Q2XG9RP9 |
More data for this
Ligand-Target Pair | |
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