Found 9 hits for monomerid = 50354896 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 1A
(Homo sapiens (Human)) | BDBM50354896
(CHEMBL1837040)Show SMILES CC(=O)N1Cc2nnc(C3CCN(CC3)c3ccccn3)n2-c2ccc(Cl)cc2C1 Show InChI InChI=1S/C22H23ClN6O/c1-15(30)28-13-17-12-18(23)5-6-19(17)29-21(14-28)25-26-22(29)16-7-10-27(11-8-16)20-4-2-3-9-24-20/h2-6,9,12,16H,7-8,10-11,13-14H2,1H3 | PDB MMDB
Reactome pathway KEGG
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 |
Bioorg Med Chem Lett 21: 5684-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.038 BindingDB Entry DOI: 10.7270/Q2TB179T |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50354896
(CHEMBL1837040)Show SMILES CC(=O)N1Cc2nnc(C3CCN(CC3)c3ccccn3)n2-c2ccc(Cl)cc2C1 Show InChI InChI=1S/C22H23ClN6O/c1-15(30)28-13-17-12-18(23)5-6-19(17)29-21(14-28)25-26-22(29)16-7-10-27(11-8-16)20-4-2-3-9-24-20/h2-6,9,12,16H,7-8,10-11,13-14H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 |
Bioorg Med Chem Lett 21: 5684-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.038 BindingDB Entry DOI: 10.7270/Q2TB179T |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50354896
(CHEMBL1837040)Show SMILES CC(=O)N1Cc2nnc(C3CCN(CC3)c3ccccn3)n2-c2ccc(Cl)cc2C1 Show InChI InChI=1S/C22H23ClN6O/c1-15(30)28-13-17-12-18(23)5-6-19(17)29-21(14-28)25-26-22(29)16-7-10-27(11-8-16)20-4-2-3-9-24-20/h2-6,9,12,16H,7-8,10-11,13-14H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 |
Bioorg Med Chem Lett 21: 5684-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.038 BindingDB Entry DOI: 10.7270/Q2TB179T |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50354896
(CHEMBL1837040)Show SMILES CC(=O)N1Cc2nnc(C3CCN(CC3)c3ccccn3)n2-c2ccc(Cl)cc2C1 Show InChI InChI=1S/C22H23ClN6O/c1-15(30)28-13-17-12-18(23)5-6-19(17)29-21(14-28)25-26-22(29)16-7-10-27(11-8-16)20-4-2-3-9-24-20/h2-6,9,12,16H,7-8,10-11,13-14H2,1H3 | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 |
Bioorg Med Chem Lett 21: 5684-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.038 BindingDB Entry DOI: 10.7270/Q2TB179T |
More data for this Ligand-Target Pair | |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50354896
(CHEMBL1837040)Show SMILES CC(=O)N1Cc2nnc(C3CCN(CC3)c3ccccn3)n2-c2ccc(Cl)cc2C1 Show InChI InChI=1S/C22H23ClN6O/c1-15(30)28-13-17-12-18(23)5-6-19(17)29-21(14-28)25-26-22(29)16-7-10-27(11-8-16)20-4-2-3-9-24-20/h2-6,9,12,16H,7-8,10-11,13-14H2,1H3 | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Antagonist activity at human V1A receptor expressed in CHO cells assessed as inhibition of AVP-induced intracellular calcium release after 30 seconds... |
Bioorg Med Chem Lett 21: 5684-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.038 BindingDB Entry DOI: 10.7270/Q2TB179T |
More data for this Ligand-Target Pair | |
Vasopressin V2 receptor
(Homo sapiens (Human)) | BDBM50354896
(CHEMBL1837040)Show SMILES CC(=O)N1Cc2nnc(C3CCN(CC3)c3ccccn3)n2-c2ccc(Cl)cc2C1 Show InChI InChI=1S/C22H23ClN6O/c1-15(30)28-13-17-12-18(23)5-6-19(17)29-21(14-28)25-26-22(29)16-7-10-27(11-8-16)20-4-2-3-9-24-20/h2-6,9,12,16H,7-8,10-11,13-14H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 215 | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Agonist activity at human V2 receptor |
Bioorg Med Chem Lett 21: 5684-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.038 BindingDB Entry DOI: 10.7270/Q2TB179T |
More data for this Ligand-Target Pair | |
Vasopressin V2 receptor
(Homo sapiens (Human)) | BDBM50354896
(CHEMBL1837040)Show SMILES CC(=O)N1Cc2nnc(C3CCN(CC3)c3ccccn3)n2-c2ccc(Cl)cc2C1 Show InChI InChI=1S/C22H23ClN6O/c1-15(30)28-13-17-12-18(23)5-6-19(17)29-21(14-28)25-26-22(29)16-7-10-27(11-8-16)20-4-2-3-9-24-20/h2-6,9,12,16H,7-8,10-11,13-14H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Antagonist activity at human V2 receptor |
Bioorg Med Chem Lett 21: 5684-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.038 BindingDB Entry DOI: 10.7270/Q2TB179T |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50354896
(CHEMBL1837040)Show SMILES CC(=O)N1Cc2nnc(C3CCN(CC3)c3ccccn3)n2-c2ccc(Cl)cc2C1 Show InChI InChI=1S/C22H23ClN6O/c1-15(30)28-13-17-12-18(23)5-6-19(17)29-21(14-28)25-26-22(29)16-7-10-27(11-8-16)20-4-2-3-9-24-20/h2-6,9,12,16H,7-8,10-11,13-14H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.52E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]dofetilide from human ERG transfected in HEK293 cells by fluorescence polarization binding assay |
Bioorg Med Chem Lett 21: 5684-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.038 BindingDB Entry DOI: 10.7270/Q2TB179T |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50354896
(CHEMBL1837040)Show SMILES CC(=O)N1Cc2nnc(C3CCN(CC3)c3ccccn3)n2-c2ccc(Cl)cc2C1 Show InChI InChI=1S/C22H23ClN6O/c1-15(30)28-13-17-12-18(23)5-6-19(17)29-21(14-28)25-26-22(29)16-7-10-27(11-8-16)20-4-2-3-9-24-20/h2-6,9,12,16H,7-8,10-11,13-14H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 |
Bioorg Med Chem Lett 21: 5684-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.038 BindingDB Entry DOI: 10.7270/Q2TB179T |
More data for this Ligand-Target Pair | |