Found 2 hits for monomerid = 50396256 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)) | BDBM50396256
(CHEMBL2172328)Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccccc2)nc2ccc(CN3CCCCC3)cc12 |r,wU:9.12,6.5,(16.69,-49.6,;15.18,-49.28,;14.7,-47.81,;14.15,-50.42,;12.65,-50.11,;11.62,-51.25,;12.17,-48.64,;10.66,-48.32,;10.18,-46.87,;11.21,-45.72,;12.71,-46.03,;13.19,-47.49,;10.73,-44.26,;11.63,-43,;13.17,-42.99,;13.93,-41.65,;13.16,-40.33,;15.47,-41.64,;16.25,-42.97,;17.79,-42.96,;18.55,-41.63,;17.76,-40.29,;16.23,-40.31,;10.71,-41.75,;9.24,-42.24,;7.91,-41.48,;6.58,-42.25,;6.57,-43.79,;5.24,-44.56,;3.91,-43.79,;3.91,-42.25,;2.58,-41.48,;1.24,-42.24,;1.24,-43.78,;2.57,-44.56,;7.91,-44.56,;9.25,-43.79,)| Show InChI InChI=1S/C30H39N5O2/c1-21(2)31-28(36)24-12-14-25(15-13-24)35-27-19-22(20-34-17-7-4-8-18-34)11-16-26(27)32-30(35)33-29(37)23-9-5-3-6-10-23/h3,5-6,9-11,16,19,21,24-25H,4,7-8,12-15,17-18,20H2,1-2H3,(H,31,36)(H,32,33,37)/t24-,25+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | 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)) | BDBM50396256
(CHEMBL2172328)Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccccc2)nc2ccc(CN3CCCCC3)cc12 |r,wU:9.12,6.5,(16.69,-49.6,;15.18,-49.28,;14.7,-47.81,;14.15,-50.42,;12.65,-50.11,;11.62,-51.25,;12.17,-48.64,;10.66,-48.32,;10.18,-46.87,;11.21,-45.72,;12.71,-46.03,;13.19,-47.49,;10.73,-44.26,;11.63,-43,;13.17,-42.99,;13.93,-41.65,;13.16,-40.33,;15.47,-41.64,;16.25,-42.97,;17.79,-42.96,;18.55,-41.63,;17.76,-40.29,;16.23,-40.31,;10.71,-41.75,;9.24,-42.24,;7.91,-41.48,;6.58,-42.25,;6.57,-43.79,;5.24,-44.56,;3.91,-43.79,;3.91,-42.25,;2.58,-41.48,;1.24,-42.24,;1.24,-43.78,;2.57,-44.56,;7.91,-44.56,;9.25,-43.79,)| Show InChI InChI=1S/C30H39N5O2/c1-21(2)31-28(36)24-12-14-25(15-13-24)35-27-19-22(20-34-17-7-4-8-18-34)11-16-26(27)32-30(35)33-29(37)23-9-5-3-6-10-23/h3,5-6,9-11,16,19,21,24-25H,4,7-8,12-15,17-18,20H2,1-2H3,(H,31,36)(H,32,33,37)/t24-,25+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5 | 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 | |