Found 2 hits for monomerid = 50396253 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)) | BDBM50396253
(CHEMBL2172331)Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CCS(=O)(=O)CC3)cc12 |r,wU:9.12,6.5,(19.6,-10.76,;18.09,-10.45,;17.61,-8.98,;17.06,-11.59,;15.55,-11.28,;14.53,-12.42,;15.08,-9.81,;13.57,-9.49,;13.09,-8.04,;14.12,-6.89,;15.62,-7.19,;16.1,-8.66,;13.64,-5.43,;14.54,-4.17,;16.08,-4.16,;16.84,-2.82,;16.07,-1.49,;18.38,-2.81,;19.16,-4.14,;20.7,-4.13,;21.46,-2.79,;23,-2.78,;20.67,-1.46,;19.14,-1.47,;13.62,-2.92,;12.15,-3.41,;10.81,-2.64,;9.49,-3.41,;9.48,-4.96,;8.15,-5.73,;6.82,-4.96,;6.82,-3.42,;5.49,-2.65,;4.15,-3.41,;2.61,-3.41,;3.38,-2.07,;4.15,-4.95,;5.48,-5.73,;10.82,-5.73,;12.16,-4.96,)| Show InChI InChI=1S/C29H36FN5O4S/c1-19(2)31-27(36)22-6-10-24(11-7-22)35-26-17-20(18-34-13-15-40(38,39)16-14-34)3-12-25(26)32-29(35)33-28(37)21-4-8-23(30)9-5-21/h3-5,8-9,12,17,19,22,24H,6-7,10-11,13-16,18H2,1-2H3,(H,31,36)(H,32,33,37)/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 | 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)) | BDBM50396253
(CHEMBL2172331)Show SMILES CC(C)NC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccc(F)cc2)nc2ccc(CN3CCS(=O)(=O)CC3)cc12 |r,wU:9.12,6.5,(19.6,-10.76,;18.09,-10.45,;17.61,-8.98,;17.06,-11.59,;15.55,-11.28,;14.53,-12.42,;15.08,-9.81,;13.57,-9.49,;13.09,-8.04,;14.12,-6.89,;15.62,-7.19,;16.1,-8.66,;13.64,-5.43,;14.54,-4.17,;16.08,-4.16,;16.84,-2.82,;16.07,-1.49,;18.38,-2.81,;19.16,-4.14,;20.7,-4.13,;21.46,-2.79,;23,-2.78,;20.67,-1.46,;19.14,-1.47,;13.62,-2.92,;12.15,-3.41,;10.81,-2.64,;9.49,-3.41,;9.48,-4.96,;8.15,-5.73,;6.82,-4.96,;6.82,-3.42,;5.49,-2.65,;4.15,-3.41,;2.61,-3.41,;3.38,-2.07,;4.15,-4.95,;5.48,-5.73,;10.82,-5.73,;12.16,-4.96,)| Show InChI InChI=1S/C29H36FN5O4S/c1-19(2)31-27(36)22-6-10-24(11-7-22)35-26-17-20(18-34-13-15-40(38,39)16-14-34)3-12-25(26)32-29(35)33-28(37)21-4-8-23(30)9-5-21/h3-5,8-9,12,17,19,22,24H,6-7,10-11,13-16,18H2,1-2H3,(H,31,36)(H,32,33,37)/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 | 8 | 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 | |