Found 7 hits in this display 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 |
Nuclear receptor ROR-gamma
(Homo sapiens (Human)) | BDBM50512491
(CHEMBL4556521)Show SMILES OC(=O)c1ccc(c(F)c1)-n1cc(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccnc12 Show InChI InChI=1S/C22H11ClF4N2O3/c23-15-5-1-4-14(22(25,26)27)18(15)19(30)13-10-29(20-12(13)3-2-8-28-20)17-7-6-11(21(31)32)9-16(17)24/h1-10H,(H,31,32) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Limited
Curated by ChEMBL
| Assay Description Transactivation of recombinant GAL4-DBD fused RORgammat LBD (unknown origin) expressed in HEK293T cells incubated for 18 to 24 hrs by dual-Glo lucife... |
Bioorg Med Chem Lett 29: 2208-2217 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.044 BindingDB Entry DOI: 10.7270/Q2D50R96 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50512491
(CHEMBL4556521)Show SMILES OC(=O)c1ccc(c(F)c1)-n1cc(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccnc12 Show InChI InChI=1S/C22H11ClF4N2O3/c23-15-5-1-4-14(22(25,26)27)18(15)19(30)13-10-29(20-12(13)3-2-8-28-20)17-7-6-11(21(31)32)9-16(17)24/h1-10H,(H,31,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.72E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Limited
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 5 mins followed by NADPH addition measured after 10 min... |
Bioorg Med Chem Lett 29: 2208-2217 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.044 BindingDB Entry DOI: 10.7270/Q2D50R96 |
More data for this Ligand-Target Pair | |
Nuclear receptor ROR-alpha
(Homo sapiens (Human)) | BDBM50512491
(CHEMBL4556521)Show SMILES OC(=O)c1ccc(c(F)c1)-n1cc(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccnc12 Show InChI InChI=1S/C22H11ClF4N2O3/c23-15-5-1-4-14(22(25,26)27)18(15)19(30)13-10-29(20-12(13)3-2-8-28-20)17-7-6-11(21(31)32)9-16(17)24/h1-10H,(H,31,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Limited
Curated by ChEMBL
| Assay Description Inhibition of GAL4-DBD fused RORalpha LBD (unknown origin) expressed in HEK293T cells |
Bioorg Med Chem Lett 29: 2208-2217 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.044 BindingDB Entry DOI: 10.7270/Q2D50R96 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50512491
(CHEMBL4556521)Show SMILES OC(=O)c1ccc(c(F)c1)-n1cc(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccnc12 Show InChI InChI=1S/C22H11ClF4N2O3/c23-15-5-1-4-14(22(25,26)27)18(15)19(30)13-10-29(20-12(13)3-2-8-28-20)17-7-6-11(21(31)32)9-16(17)24/h1-10H,(H,31,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Limited
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate preincubated for 5 mins followed by NADPH addition measured after 10 m... |
Bioorg Med Chem Lett 29: 2208-2217 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.044 BindingDB Entry DOI: 10.7270/Q2D50R96 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50512491
(CHEMBL4556521)Show SMILES OC(=O)c1ccc(c(F)c1)-n1cc(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccnc12 Show InChI InChI=1S/C22H11ClF4N2O3/c23-15-5-1-4-14(22(25,26)27)18(15)19(30)13-10-29(20-12(13)3-2-8-28-20)17-7-6-11(21(31)32)9-16(17)24/h1-10H,(H,31,32) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Limited
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 5 mins followed by NADPH addition measured after ... |
Bioorg Med Chem Lett 29: 2208-2217 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.044 BindingDB Entry DOI: 10.7270/Q2D50R96 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50512491
(CHEMBL4556521)Show SMILES OC(=O)c1ccc(c(F)c1)-n1cc(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccnc12 Show InChI InChI=1S/C22H11ClF4N2O3/c23-15-5-1-4-14(22(25,26)27)18(15)19(30)13-10-29(20-12(13)3-2-8-28-20)17-7-6-11(21(31)32)9-16(17)24/h1-10H,(H,31,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Limited
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 in human liver microsomes using (S)-mephenytoin as substrate preincubated for 5 mins followed by NADPH addition measured after ... |
Bioorg Med Chem Lett 29: 2208-2217 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.044 BindingDB Entry DOI: 10.7270/Q2D50R96 |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50512491
(CHEMBL4556521)Show SMILES OC(=O)c1ccc(c(F)c1)-n1cc(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccnc12 Show InChI InChI=1S/C22H11ClF4N2O3/c23-15-5-1-4-14(22(25,26)27)18(15)19(30)13-10-29(20-12(13)3-2-8-28-20)17-7-6-11(21(31)32)9-16(17)24/h1-10H,(H,31,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Advinus Therapeutics Limited
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate preincubated for 5 mins followed by NADPH addition measured after 10 min... |
Bioorg Med Chem Lett 29: 2208-2217 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.044 BindingDB Entry DOI: 10.7270/Q2D50R96 |
More data for this Ligand-Target Pair | |