Found 6 hits of ic50 for monomerid = 50355388 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 2C19
(Homo sapiens (Human)) | BDBM50355388
(CHEMBL1834662)Show SMILES COc1cc(OC)c(Cl)c(NC(=O)N(C)c2cc(Nc3cccc(CN4CCN(C)CC4)c3)ncn2)c1Cl Show InChI InChI=1S/C26H31Cl2N7O3/c1-33-8-10-35(11-9-33)15-17-6-5-7-18(12-17)31-21-14-22(30-16-29-21)34(2)26(36)32-25-23(27)19(37-3)13-20(38-4)24(25)28/h5-7,12-14,16H,8-11,15H2,1-4H3,(H,32,36)(H,29,30,31) | 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 | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 using CEC as substrate |
J Med Chem 54: 7066-83 (2011)
Article DOI: 10.1021/jm2006222 BindingDB Entry DOI: 10.7270/Q22N52N1 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50355388
(CHEMBL1834662)Show SMILES COc1cc(OC)c(Cl)c(NC(=O)N(C)c2cc(Nc3cccc(CN4CCN(C)CC4)c3)ncn2)c1Cl Show InChI InChI=1S/C26H31Cl2N7O3/c1-33-8-10-35(11-9-33)15-17-6-5-7-18(12-17)31-21-14-22(30-16-29-21)34(2)26(36)32-25-23(27)19(37-3)13-20(38-4)24(25)28/h5-7,12-14,16H,8-11,15H2,1-4H3,(H,32,36)(H,29,30,31) | 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 | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 using BFC as substrate |
J Med Chem 54: 7066-83 (2011)
Article DOI: 10.1021/jm2006222 BindingDB Entry DOI: 10.7270/Q22N52N1 |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50355388
(CHEMBL1834662)Show SMILES COc1cc(OC)c(Cl)c(NC(=O)N(C)c2cc(Nc3cccc(CN4CCN(C)CC4)c3)ncn2)c1Cl Show InChI InChI=1S/C26H31Cl2N7O3/c1-33-8-10-35(11-9-33)15-17-6-5-7-18(12-17)31-21-14-22(30-16-29-21)34(2)26(36)32-25-23(27)19(37-3)13-20(38-4)24(25)28/h5-7,12-14,16H,8-11,15H2,1-4H3,(H,32,36)(H,29,30,31) | 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 | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 using CEC as substrate |
J Med Chem 54: 7066-83 (2011)
Article DOI: 10.1021/jm2006222 BindingDB Entry DOI: 10.7270/Q22N52N1 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50355388
(CHEMBL1834662)Show SMILES COc1cc(OC)c(Cl)c(NC(=O)N(C)c2cc(Nc3cccc(CN4CCN(C)CC4)c3)ncn2)c1Cl Show InChI InChI=1S/C26H31Cl2N7O3/c1-33-8-10-35(11-9-33)15-17-6-5-7-18(12-17)31-21-14-22(30-16-29-21)34(2)26(36)32-25-23(27)19(37-3)13-20(38-4)24(25)28/h5-7,12-14,16H,8-11,15H2,1-4H3,(H,32,36)(H,29,30,31) | 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 |
Novartis Institute for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 using MFC as substrate |
J Med Chem 54: 7066-83 (2011)
Article DOI: 10.1021/jm2006222 BindingDB Entry DOI: 10.7270/Q22N52N1 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50355388
(CHEMBL1834662)Show SMILES COc1cc(OC)c(Cl)c(NC(=O)N(C)c2cc(Nc3cccc(CN4CCN(C)CC4)c3)ncn2)c1Cl Show InChI InChI=1S/C26H31Cl2N7O3/c1-33-8-10-35(11-9-33)15-17-6-5-7-18(12-17)31-21-14-22(30-16-29-21)34(2)26(36)32-25-23(27)19(37-3)13-20(38-4)24(25)28/h5-7,12-14,16H,8-11,15H2,1-4H3,(H,32,36)(H,29,30,31) | 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 |
Novartis Institute for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 using DBF as substrate |
J Med Chem 54: 7066-83 (2011)
Article DOI: 10.1021/jm2006222 BindingDB Entry DOI: 10.7270/Q22N52N1 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50355388
(CHEMBL1834662)Show SMILES COc1cc(OC)c(Cl)c(NC(=O)N(C)c2cc(Nc3cccc(CN4CCN(C)CC4)c3)ncn2)c1Cl Show InChI InChI=1S/C26H31Cl2N7O3/c1-33-8-10-35(11-9-33)15-17-6-5-7-18(12-17)31-21-14-22(30-16-29-21)34(2)26(36)32-25-23(27)19(37-3)13-20(38-4)24(25)28/h5-7,12-14,16H,8-11,15H2,1-4H3,(H,32,36)(H,29,30,31) | 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 |
Novartis Institute for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 using AMMC as substrate |
J Med Chem 54: 7066-83 (2011)
Article DOI: 10.1021/jm2006222 BindingDB Entry DOI: 10.7270/Q22N52N1 |
More data for this Ligand-Target Pair | |