Found 9 hits of ic50 for UniProtKB: P24462 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
(Homo sapiens (Human)) | BDBM50508661
(CHEMBL4524830)Show SMILES Cn1cc(C2CCCCC2)c2cc(F)c(cc12)C(=O)NS(=O)(=O)C1CC1 Show InChI InChI=1S/C19H23FN2O3S/c1-22-11-16(12-5-3-2-4-6-12)14-9-17(20)15(10-18(14)22)19(23)21-26(24,25)13-7-8-13/h9-13H,2-8H2,1H3,(H,21,23) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Inhibition of human CYP450 |
Bioorg Med Chem Lett 29: 659-663 (2019)
Article DOI: 10.1016/j.bmcl.2018.12.013 BindingDB Entry DOI: 10.7270/Q2K64NC8 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A7
(Homo sapiens) | BDBM50584760
(CHEMBL2068968)Show SMILES [H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@H](CC[C@]34O)c3ccc(=O)oc3)[C@@]1(C)CCC(=O)C2 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.08E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Time dependent inhibition of recombinant human CYP3A7 incubated for 30 mins in presence of NADPH generating system by LC-MS/MS analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01875 BindingDB Entry DOI: 10.7270/Q2PZ5DQR |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4/3A43/3A5/3A7
(Homo sapiens (Human)) | BDBM50464556
(CHEMBL4289811 | US10464907, Compound 21f | US10889...)Show SMILES CCCNC(=O)c1ccc(CN(C)C(=O)c2cc(C(C)C)c(O)cc2O)cc1 Show InChI InChI=1S/C22H28N2O4/c1-5-10-23-21(27)16-8-6-15(7-9-16)13-24(4)22(28)18-11-17(14(2)3)19(25)12-20(18)26/h6-9,11-12,14,25-26H,5,10,13H2,1-4H3,(H,23,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.59E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Keimyung University
Curated by ChEMBL
| Assay Description Inhibition of CYP3A in human pooled human liver microsomes using midazolam as substrate assessed as midazolam 1'-hydroxylation preincubated for 5 min... |
Eur J Med Chem 143: 390-401 (2018)
Article DOI: 10.1016/j.ejmech.2017.11.054 BindingDB Entry DOI: 10.7270/Q29C713M |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A7 [T409R]
(Homo sapiens (Human)) | BDBM50088503
(CHEMBL3527048)Show SMILES Cc1ccc(cc1)-c1c(cnn1C)-c1nn(C)c2ncnc(N3CC[C@@H](C3)N3CCCCC3)c12 |r| Show InChI InChI=1S/C26H32N8/c1-18-7-9-19(10-8-18)24-21(15-29-31(24)2)23-22-25(32(3)30-23)27-17-28-26(22)34-14-11-20(16-34)33-12-5-4-6-13-33/h7-10,15,17,20H,4-6,11-14,16H2,1-3H3/t20-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Reversible inhibition of midazolam 1'-hydroxylase activity of human recombinant CYP3A7 harboring human P450 oxidoreductase and b5 |
Drug Metab Dispos 40: 1686-97 (2012)
Article DOI: 10.1124/dmd.112.045302 BindingDB Entry DOI: 10.7270/Q2GT5PW2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4/3A43/3A5/3A7
(Homo sapiens (Human)) | BDBM50508419
(CHEMBL4471264)Show SMILES Cl.O=C1c2ccccc2C(=O)c2c(cccc12)-c1cnn(c1)C1CCNCC1 Show InChI InChI=1S/C22H19N3O2/c26-21-17-4-1-2-5-18(17)22(27)20-16(6-3-7-19(20)21)14-12-24-25(13-14)15-8-10-23-11-9-15/h1-7,12-13,15,23H,8-11H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.66E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Gwangju Institute of Science and Technology
Curated by ChEMBL
| Assay Description Inhibition of CYP3A in human liver microsomes assessed as reduction in midazolam 1'-hydroxylation by tandem mass spectrometry analysis |
J Med Chem 62: 575-588 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01168 BindingDB Entry DOI: 10.7270/Q2QZ2F8H |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4/3A43/3A5/3A7
(Homo sapiens (Human)) | BDBM50527104
(CHEMBL4447583)Show SMILES Cc1cc([nH]c1C(=O)N[C@@H](CN)c1ncc(CO)s1)-c1ccc(cn1)C(F)(F)F |r| Show InChI InChI=1S/C18H18F3N5O2S/c1-9-4-13(12-3-2-10(6-23-12)18(19,20)21)25-15(9)16(28)26-14(5-22)17-24-7-11(8-27)29-17/h2-4,6-7,14,25,27H,5,8,22H2,1H3,(H,26,28)/t14-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | >6.22E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Lindsley F. Kimball Research Institute
Curated by ChEMBL
| Assay Description Inhibition of CYP3A in human liver microsomes using testosterone as substrate preincubated for 5 mins followed by NADPH addition and measured for 10 ... |
J Med Chem 63: 1724-1749 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02149 BindingDB Entry DOI: 10.7270/Q2X63RC7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A7
(Homo sapiens) | BDBM50584760
(CHEMBL2068968)Show SMILES [H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@H](CC[C@]34O)c3ccc(=O)oc3)[C@@]1(C)CCC(=O)C2 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6.48E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Time dependent inhibition of recombinant human CYP3A7 using midazolam as substrate preincubated for 30 mins in presence of NADPH generating system fo... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01875 BindingDB Entry DOI: 10.7270/Q2PZ5DQR |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A7
(Homo sapiens) | BDBM50584761
(BUFALIN | Bufalin | CHEBI:517248)Show SMILES [H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@H](CC[C@]34O)c3ccc(=O)oc3)[C@@]1(C)CC[C@H](O)C2 |r| | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Time dependent inhibition of recombinant human CYP3A7 incubated for 30 mins in presence of NADPH generating system by LC-MS/MS analysis |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01875 BindingDB Entry DOI: 10.7270/Q2PZ5DQR |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4/3A43/3A5/3A7
(Homo sapiens (Human)) | BDBM50527104
(CHEMBL4447583)Show SMILES Cc1cc([nH]c1C(=O)N[C@@H](CN)c1ncc(CO)s1)-c1ccc(cn1)C(F)(F)F |r| Show InChI InChI=1S/C18H18F3N5O2S/c1-9-4-13(12-3-2-10(6-23-12)18(19,20)21)25-15(9)16(28)26-14(5-22)17-24-7-11(8-27)29-17/h2-4,6-7,14,25,27H,5,8,22H2,1H3,(H,26,28)/t14-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Lindsley F. Kimball Research Institute
Curated by ChEMBL
| Assay Description Inhibition of CYP3A in human liver microsomes using midazolam as substrate preincubated for 5 mins followed by NADPH addition and measured for 10 to ... |
J Med Chem 63: 1724-1749 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02149 BindingDB Entry DOI: 10.7270/Q2X63RC7 |
More data for this Ligand-Target Pair | |