Found 2 hits for monomerid = 50396250 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)) | BDBM50396250
(CHEMBL2172333)Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CCNCC3)cc12 |r,wU:9.12,6.5,(43.23,-26.31,;41.73,-25.99,;41.25,-24.53,;40.7,-27.14,;39.19,-26.82,;38.16,-27.97,;38.71,-25.36,;37.2,-25.04,;36.73,-23.58,;37.76,-22.44,;39.26,-22.74,;39.74,-24.21,;37.27,-20.98,;38.18,-19.72,;39.72,-19.71,;40.48,-18.37,;39.7,-17.04,;42.02,-18.36,;42.79,-19.69,;44.33,-19.68,;45.1,-18.34,;46.64,-18.33,;44.31,-17.01,;42.77,-17.02,;37.26,-18.47,;35.79,-18.95,;34.45,-18.19,;33.12,-18.96,;33.12,-20.51,;31.79,-21.27,;30.45,-20.5,;30.46,-18.96,;29.14,-18.19,;27.8,-18.96,;27.79,-20.5,;29.13,-21.28,;34.45,-21.28,;35.8,-20.51,)| Show InChI InChI=1S/C29H37FN6O2/c1-19(2)32-27(37)22-6-10-24(11-7-22)36-26-17-20(18-35-15-13-31-14-16-35)3-12-25(26)33-29(36)34-28(38)21-4-8-23(30)9-5-21/h3-5,8-9,12,17,19,22,24,31H,6-7,10-11,13-16,18H2,1-2H3,(H,32,37)(H,33,34,38)/t22-,24+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.60 | 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)) | BDBM50396250
(CHEMBL2172333)Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CCNCC3)cc12 |r,wU:9.12,6.5,(43.23,-26.31,;41.73,-25.99,;41.25,-24.53,;40.7,-27.14,;39.19,-26.82,;38.16,-27.97,;38.71,-25.36,;37.2,-25.04,;36.73,-23.58,;37.76,-22.44,;39.26,-22.74,;39.74,-24.21,;37.27,-20.98,;38.18,-19.72,;39.72,-19.71,;40.48,-18.37,;39.7,-17.04,;42.02,-18.36,;42.79,-19.69,;44.33,-19.68,;45.1,-18.34,;46.64,-18.33,;44.31,-17.01,;42.77,-17.02,;37.26,-18.47,;35.79,-18.95,;34.45,-18.19,;33.12,-18.96,;33.12,-20.51,;31.79,-21.27,;30.45,-20.5,;30.46,-18.96,;29.14,-18.19,;27.8,-18.96,;27.79,-20.5,;29.13,-21.28,;34.45,-21.28,;35.8,-20.51,)| Show InChI InChI=1S/C29H37FN6O2/c1-19(2)32-27(37)22-6-10-24(11-7-22)36-26-17-20(18-35-15-13-31-14-16-35)3-12-25(26)33-29(36)34-28(38)21-4-8-23(30)9-5-21/h3-5,8-9,12,17,19,22,24,31H,6-7,10-11,13-16,18H2,1-2H3,(H,32,37)(H,33,34,38)/t22-,24+ | 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 | |