Found 3 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 |
Cytochrome P450 1B1
(Homo sapiens (Human)) | BDBM50507598
(CHEMBL4539787)Show SMILES COc1cc2c([nH]c(cc2=O)-c2ccc(F)cc2)c2c(OC)cccc12 Show InChI InChI=1S/C21H16FNO3/c1-25-18-5-3-4-14-19(26-2)10-15-17(24)11-16(23-21(15)20(14)18)12-6-8-13(22)9-7-12/h3-11H,1-2H3,(H,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Birla Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of human CYP1B1 using 7-Ethoxyresorufin as substrate after 30 mins in presence of NADP+ by EROD assay |
Eur J Med Chem 163: 28-36 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.039 BindingDB Entry DOI: 10.7270/Q2930XFF |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A1
(Homo sapiens (Human)) | BDBM50507598
(CHEMBL4539787)Show SMILES COc1cc2c([nH]c(cc2=O)-c2ccc(F)cc2)c2c(OC)cccc12 Show InChI InChI=1S/C21H16FNO3/c1-25-18-5-3-4-14-19(26-2)10-15-17(24)11-16(23-21(15)20(14)18)12-6-8-13(22)9-7-12/h3-11H,1-2H3,(H,23,24) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Birla Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of human CYP1A1 using 7-Ethoxyresorufin as substrate after 15 mins in presence of NADP+ by EROD assay |
Eur J Med Chem 163: 28-36 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.039 BindingDB Entry DOI: 10.7270/Q2930XFF |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50507598
(CHEMBL4539787)Show SMILES COc1cc2c([nH]c(cc2=O)-c2ccc(F)cc2)c2c(OC)cccc12 Show InChI InChI=1S/C21H16FNO3/c1-25-18-5-3-4-14-19(26-2)10-15-17(24)11-16(23-21(15)20(14)18)12-6-8-13(22)9-7-12/h3-11H,1-2H3,(H,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Birla Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of human CYP1A2 using 7-Ethoxyresorufin as substrate after 50 mins in presence of NADP+ by EROD assay |
Eur J Med Chem 163: 28-36 (2019)
Article DOI: 10.1016/j.ejmech.2018.11.039 BindingDB Entry DOI: 10.7270/Q2930XFF |
More data for this Ligand-Target Pair | |