Found 2 hits Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor' and Ligand = 'BDBM50396259' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/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)) | BDBM50396259
(CHEMBL2172325)Show SMILES CCNC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccccc2)nc2ccc(CN3CCCCC3)cc12 |r,wU:8.11,5.4,(15.62,-34.99,;14.12,-34.68,;13.64,-33.21,;12.13,-32.89,;11.1,-34.04,;11.65,-31.43,;10.15,-31.11,;9.67,-29.66,;10.7,-28.51,;12.2,-28.81,;12.68,-30.28,;10.21,-27.05,;11.12,-25.79,;12.66,-25.78,;13.42,-24.44,;12.64,-23.11,;14.96,-24.43,;15.73,-25.76,;17.27,-25.75,;18.04,-24.41,;17.25,-23.08,;15.71,-23.09,;10.2,-24.54,;8.73,-25.03,;7.39,-24.26,;6.06,-25.03,;6.06,-26.58,;4.73,-27.35,;3.39,-26.58,;3.39,-25.04,;2.07,-24.27,;.73,-25.03,;.73,-26.57,;2.06,-27.35,;7.4,-27.35,;8.74,-26.58,)| Show InChI InChI=1S/C29H37N5O2/c1-2-30-27(35)23-12-14-24(15-13-23)34-26-19-21(20-33-17-7-4-8-18-33)11-16-25(26)31-29(34)32-28(36)22-9-5-3-6-10-22/h3,5-6,9-11,16,19,23-24H,2,4,7-8,12-15,17-18,20H2,1H3,(H,30,35)(H,31,32,36)/t23-,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)) | BDBM50396259
(CHEMBL2172325)Show SMILES CCNC(=O)[C@H]1CC[C@H](CC1)n1c(NC(=O)c2ccccc2)nc2ccc(CN3CCCCC3)cc12 |r,wU:8.11,5.4,(15.62,-34.99,;14.12,-34.68,;13.64,-33.21,;12.13,-32.89,;11.1,-34.04,;11.65,-31.43,;10.15,-31.11,;9.67,-29.66,;10.7,-28.51,;12.2,-28.81,;12.68,-30.28,;10.21,-27.05,;11.12,-25.79,;12.66,-25.78,;13.42,-24.44,;12.64,-23.11,;14.96,-24.43,;15.73,-25.76,;17.27,-25.75,;18.04,-24.41,;17.25,-23.08,;15.71,-23.09,;10.2,-24.54,;8.73,-25.03,;7.39,-24.26,;6.06,-25.03,;6.06,-26.58,;4.73,-27.35,;3.39,-26.58,;3.39,-25.04,;2.07,-24.27,;.73,-25.03,;.73,-26.57,;2.06,-27.35,;7.4,-27.35,;8.74,-26.58,)| Show InChI InChI=1S/C29H37N5O2/c1-2-30-27(35)23-12-14-24(15-13-23)34-26-19-21(20-33-17-7-4-8-18-33)11-16-25(26)31-29(34)32-28(36)22-9-5-3-6-10-22/h3,5-6,9-11,16,19,23-24H,2,4,7-8,12-15,17-18,20H2,1H3,(H,30,35)(H,31,32,36)/t23-,24+ | 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 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 | |