BDBM50340126 CHEMBL1738698::N2-(3-methoxy-4-morpholinophenyl)-N4-(quinolin-3-yl)pyrimidine-2,4-diamine::N~2~-[3-methoxy-4-(morpholin-4-yl)phenyl]-N~4~-(quinolin-3-yl)pyrimidine-2,4-diamine
SMILES: COc1cc(Nc2nccc(Nc3cnc4ccccc4c3)n2)ccc1N1CCOCC1
InChI Key: InChIKey=LNEPMZDEABTAPY-UHFFFAOYSA-N
Data: 2 IC50
PDB links: 1 PDB ID matches this monomer.
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50340126 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 |
Insulin-like growth factor I receptor
(Homo sapiens (Human)) | BDBM50340126
(CHEMBL1738698 | N2-(3-methoxy-4-morpholinophenyl)-...)Show SMILES COc1cc(Nc2nccc(Nc3cnc4ccccc4c3)n2)ccc1N1CCOCC1 Show InChI InChI=1S/C24H24N6O2/c1-31-22-15-18(6-7-21(22)30-10-12-32-13-11-30)28-24-25-9-8-23(29-24)27-19-14-17-4-2-3-5-20(17)26-16-19/h2-9,14-16H,10-13H2,1H3,(H2,25,27,28,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of human IGF1R |
Bioorg Med Chem Lett 21: 2394-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.075 BindingDB Entry DOI: 10.7270/Q28G8M0D |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Insulin-like growth factor I receptor
(Homo sapiens (Human)) | BDBM50340126
(CHEMBL1738698 | N2-(3-methoxy-4-morpholinophenyl)-...)Show SMILES COc1cc(Nc2nccc(Nc3cnc4ccccc4c3)n2)ccc1N1CCOCC1 Show InChI InChI=1S/C24H24N6O2/c1-31-22-15-18(6-7-21(22)30-10-12-32-13-11-30)28-24-25-9-8-23(29-24)27-19-14-17-4-2-3-5-20(17)26-16-19/h2-9,14-16H,10-13H2,1H3,(H2,25,27,28,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 8.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of IGF1-induced human IGF1R auto phosphorylation expressed in mouse NIH-3T3 cells preincubated with compound for 1 hr |
Bioorg Med Chem Lett 21: 2394-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.075 BindingDB Entry DOI: 10.7270/Q28G8M0D |
More data for this Ligand-Target Pair | 3D Structure (crystal) |