Found 6 hits for monomerid = 50355389 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 3A4
(Homo sapiens (Human)) | BDBM50355389
(CHEMBL1834661)Show SMILES CCN1CCC(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1 Show InChI InChI=1S/C27H32Cl2N6O3/c1-5-35-12-10-18(11-13-35)17-6-8-19(9-7-17)32-22-15-23(31-16-30-22)34(2)27(36)33-26-24(28)20(37-3)14-21(38-4)25(26)29/h6-9,14-16,18H,5,10-13H2,1-4H3,(H,33,36)(H,30,31,32) | 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 | 6.00E+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 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 3A4
(Homo sapiens (Human)) | BDBM50355389
(CHEMBL1834661)Show SMILES CCN1CCC(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1 Show InChI InChI=1S/C27H32Cl2N6O3/c1-5-35-12-10-18(11-13-35)17-6-8-19(9-7-17)32-22-15-23(31-16-30-22)34(2)27(36)33-26-24(28)20(37-3)14-21(38-4)25(26)29/h6-9,14-16,18H,5,10-13H2,1-4H3,(H,33,36)(H,30,31,32) | 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 | 1.20E+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 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 2C9
(Homo sapiens (Human)) | BDBM50355389
(CHEMBL1834661)Show SMILES CCN1CCC(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1 Show InChI InChI=1S/C27H32Cl2N6O3/c1-5-35-12-10-18(11-13-35)17-6-8-19(9-7-17)32-22-15-23(31-16-30-22)34(2)27(36)33-26-24(28)20(37-3)14-21(38-4)25(26)29/h6-9,14-16,18H,5,10-13H2,1-4H3,(H,33,36)(H,30,31,32) | 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 | 4.00E+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 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 1A2
(Homo sapiens (Human)) | BDBM50355389
(CHEMBL1834661)Show SMILES CCN1CCC(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1 Show InChI InChI=1S/C27H32Cl2N6O3/c1-5-35-12-10-18(11-13-35)17-6-8-19(9-7-17)32-22-15-23(31-16-30-22)34(2)27(36)33-26-24(28)20(37-3)14-21(38-4)25(26)29/h6-9,14-16,18H,5,10-13H2,1-4H3,(H,33,36)(H,30,31,32) | 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 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 2D6
(Homo sapiens (Human)) | BDBM50355389
(CHEMBL1834661)Show SMILES CCN1CCC(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1 Show InChI InChI=1S/C27H32Cl2N6O3/c1-5-35-12-10-18(11-13-35)17-6-8-19(9-7-17)32-22-15-23(31-16-30-22)34(2)27(36)33-26-24(28)20(37-3)14-21(38-4)25(26)29/h6-9,14-16,18H,5,10-13H2,1-4H3,(H,33,36)(H,30,31,32) | 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 | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50355389
(CHEMBL1834661)Show SMILES CCN1CCC(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)cc1 Show InChI InChI=1S/C27H32Cl2N6O3/c1-5-35-12-10-18(11-13-35)17-6-8-19(9-7-17)32-22-15-23(31-16-30-22)34(2)27(36)33-26-24(28)20(37-3)14-21(38-4)25(26)29/h6-9,14-16,18H,5,10-13H2,1-4H3,(H,33,36)(H,30,31,32) | 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 | 1.10E+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 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 | |