Found 2 hits for monomerid = 50396255 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 |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50396255
(CHEMBL2172329)Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccccc12 |r,wU:9.12,6.5,(31.37,-49.74,;29.87,-49.42,;29.39,-47.96,;28.84,-50.57,;27.33,-50.25,;26.3,-51.4,;26.85,-48.79,;25.34,-48.47,;24.87,-47.01,;25.9,-45.86,;27.4,-46.17,;27.88,-47.64,;25.41,-44.4,;26.32,-43.14,;27.86,-43.13,;28.62,-41.8,;27.84,-40.47,;30.16,-41.79,;30.93,-43.11,;32.47,-43.11,;33.24,-41.77,;34.78,-41.76,;32.45,-40.43,;30.91,-40.45,;25.4,-41.89,;23.93,-42.38,;22.59,-41.62,;21.26,-42.39,;21.26,-43.93,;22.59,-44.7,;23.93,-43.93,)| Show InChI InChI=1S/C24H27FN4O2/c1-15(2)26-22(30)17-9-13-19(14-10-17)29-21-6-4-3-5-20(21)27-24(29)28-23(31)16-7-11-18(25)12-8-16/h3-8,11-12,15,17,19H,9-10,13-14H2,1-2H3,(H,26,30)(H,27,28,31)/t17-,19+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of ALK enzyme |
J Med Chem 55: 6523-40 (2012)
Article DOI: 10.1021/jm3005866 BindingDB Entry DOI: 10.7270/Q2M046KT |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50396255
(CHEMBL2172329)Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccccc12 |r,wU:9.12,6.5,(31.37,-49.74,;29.87,-49.42,;29.39,-47.96,;28.84,-50.57,;27.33,-50.25,;26.3,-51.4,;26.85,-48.79,;25.34,-48.47,;24.87,-47.01,;25.9,-45.86,;27.4,-46.17,;27.88,-47.64,;25.41,-44.4,;26.32,-43.14,;27.86,-43.13,;28.62,-41.8,;27.84,-40.47,;30.16,-41.79,;30.93,-43.11,;32.47,-43.11,;33.24,-41.77,;34.78,-41.76,;32.45,-40.43,;30.91,-40.45,;25.4,-41.89,;23.93,-42.38,;22.59,-41.62,;21.26,-42.39,;21.26,-43.93,;22.59,-44.7,;23.93,-43.93,)| Show InChI InChI=1S/C24H27FN4O2/c1-15(2)26-22(30)17-9-13-19(14-10-17)29-21-6-4-3-5-20(21)27-24(29)28-23(31)16-7-11-18(25)12-8-16/h3-8,11-12,15,17,19H,9-10,13-14H2,1-2H3,(H,26,30)(H,27,28,31)/t17-,19+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 147 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of ALK Tyr1604 phosphorylation by cell based assay |
J Med Chem 55: 6523-40 (2012)
Article DOI: 10.1021/jm3005866 BindingDB Entry DOI: 10.7270/Q2M046KT |
More data for this Ligand-Target Pair | |