Found 6 hits for monomerid = 50352421 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 |
Smoothened homolog
(Homo sapiens (Human)) | BDBM50352421
(CHEMBL1823591)Show SMILES Clc1ccccc1NC(=O)N1CCN(CC1)c1nc(no1)-c1ccc2ccccc2n1 Show InChI InChI=1S/C22H19ClN6O2/c23-16-6-2-4-8-18(16)25-21(30)28-11-13-29(14-12-28)22-26-20(27-31-22)19-10-9-15-5-1-3-7-17(15)24-19/h1-10H,11-14H2,(H,25,30) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Rome
Curated by ChEMBL
| Assay Description Displacement of Bodipy-labelled cyclopamine from Smo expressed in COS-1 cells in presence of 2% FBS after 4 to 6 hrs by FACS flow cytometric analysis |
Bioorg Med Chem Lett 21: 5274-82 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.031 BindingDB Entry DOI: 10.7270/Q2MC90DS |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50352421
(CHEMBL1823591)Show SMILES Clc1ccccc1NC(=O)N1CCN(CC1)c1nc(no1)-c1ccc2ccccc2n1 Show InChI InChI=1S/C22H19ClN6O2/c23-16-6-2-4-8-18(16)25-21(30)28-11-13-29(14-12-28)22-26-20(27-31-22)19-10-9-15-5-1-3-7-17(15)24-19/h1-10H,11-14H2,(H,25,30) | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Rome
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 |
Bioorg Med Chem Lett 21: 5274-82 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.031 BindingDB Entry DOI: 10.7270/Q2MC90DS |
More data for this Ligand-Target Pair | |
G-protein- coupled-like receptor Smoothened (Smo)
(Homo sapiens (Human)) | BDBM50352421
(CHEMBL1823591)Show SMILES Clc1ccccc1NC(=O)N1CCN(CC1)c1nc(no1)-c1ccc2ccccc2n1 Show InChI InChI=1S/C22H19ClN6O2/c23-16-6-2-4-8-18(16)25-21(30)28-11-13-29(14-12-28)22-26-20(27-31-22)19-10-9-15-5-1-3-7-17(15)24-19/h1-10H,11-14H2,(H,25,30) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Rome
Curated by ChEMBL
| Assay Description Inhibition of of Bodipy-labelled cyclopamine binding to Smo expressed in COS-1 cells in presence of 20% NHS after 4 to 6 hrs by FACS flow cytometric ... |
Bioorg Med Chem Lett 21: 5274-82 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.031 BindingDB Entry DOI: 10.7270/Q2MC90DS |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50352421
(CHEMBL1823591)Show SMILES Clc1ccccc1NC(=O)N1CCN(CC1)c1nc(no1)-c1ccc2ccccc2n1 Show InChI InChI=1S/C22H19ClN6O2/c23-16-6-2-4-8-18(16)25-21(30)28-11-13-29(14-12-28)22-26-20(27-31-22)19-10-9-15-5-1-3-7-17(15)24-19/h1-10H,11-14H2,(H,25,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Rome
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 |
Bioorg Med Chem Lett 21: 5274-82 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.031 BindingDB Entry DOI: 10.7270/Q2MC90DS |
More data for this Ligand-Target Pair | |
Transcriptional regulator ERG
(Homo sapiens (Human)) | BDBM50352421
(CHEMBL1823591)Show SMILES Clc1ccccc1NC(=O)N1CCN(CC1)c1nc(no1)-c1ccc2ccccc2n1 Show InChI InChI=1S/C22H19ClN6O2/c23-16-6-2-4-8-18(16)25-21(30)28-11-13-29(14-12-28)22-26-20(27-31-22)19-10-9-15-5-1-3-7-17(15)24-19/h1-10H,11-14H2,(H,25,30) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Rome
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
Bioorg Med Chem Lett 21: 5274-82 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.031 BindingDB Entry DOI: 10.7270/Q2MC90DS |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50352421
(CHEMBL1823591)Show SMILES Clc1ccccc1NC(=O)N1CCN(CC1)c1nc(no1)-c1ccc2ccccc2n1 Show InChI InChI=1S/C22H19ClN6O2/c23-16-6-2-4-8-18(16)25-21(30)28-11-13-29(14-12-28)22-26-20(27-31-22)19-10-9-15-5-1-3-7-17(15)24-19/h1-10H,11-14H2,(H,25,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Rome
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 |
Bioorg Med Chem Lett 21: 5274-82 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.031 BindingDB Entry DOI: 10.7270/Q2MC90DS |
More data for this Ligand-Target Pair | |