Found 7 hits Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor' and Ligand = 'BDBM50519598' 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)) | BDBM50519598
(CHEMBL4436406)Show SMILES C[C@H]1Oc2cc(Cc3c(CN(C)C(=O)c4ccc(F)cc14)nn(C)c3C#N)cnc2N |r| Show InChI InChI=1S/C22H21FN6O2/c1-12-16-8-14(23)4-5-15(16)22(30)28(2)11-18-17(19(9-24)29(3)27-18)6-13-7-20(31-12)21(25)26-10-13/h4-5,7-8,10,12H,6,11H2,1-3H3,(H2,25,26)/t12-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| <0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description Inhibition of ALK (unknown origin) |
J Med Chem 62: 10927-10954 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00446 BindingDB Entry DOI: 10.7270/Q2S185WV |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50519598
(CHEMBL4436406)Show SMILES C[C@H]1Oc2cc(Cc3c(CN(C)C(=O)c4ccc(F)cc14)nn(C)c3C#N)cnc2N |r| Show InChI InChI=1S/C22H21FN6O2/c1-12-16-8-14(23)4-5-15(16)22(30)28(2)11-18-17(19(9-24)29(3)27-18)6-13-7-20(31-12)21(25)26-10-13/h4-5,7-8,10,12H,6,11H2,1-3H3,(H2,25,26)/t12-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description Inhibition of ALK L1196M (unknown origin) |
J Med Chem 62: 10927-10954 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00446 BindingDB Entry DOI: 10.7270/Q2S185WV |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50519598
(CHEMBL4436406)Show SMILES C[C@H]1Oc2cc(Cc3c(CN(C)C(=O)c4ccc(F)cc14)nn(C)c3C#N)cnc2N |r| Show InChI InChI=1S/C22H21FN6O2/c1-12-16-8-14(23)4-5-15(16)22(30)28(2)11-18-17(19(9-24)29(3)27-18)6-13-7-20(31-12)21(25)26-10-13/h4-5,7-8,10,12H,6,11H2,1-3H3,(H2,25,26)/t12-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description Inhibition of ALK L1196M (unknown origin) |
J Med Chem 62: 10927-10954 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00446 BindingDB Entry DOI: 10.7270/Q2S185WV |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50519598
(CHEMBL4436406)Show SMILES C[C@H]1Oc2cc(Cc3c(CN(C)C(=O)c4ccc(F)cc14)nn(C)c3C#N)cnc2N |r| Show InChI InChI=1S/C22H21FN6O2/c1-12-16-8-14(23)4-5-15(16)22(30)28(2)11-18-17(19(9-24)29(3)27-18)6-13-7-20(31-12)21(25)26-10-13/h4-5,7-8,10,12H,6,11H2,1-3H3,(H2,25,26)/t12-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description Inhibition of ALK (unknown origin) |
J Med Chem 62: 10927-10954 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00446 BindingDB Entry DOI: 10.7270/Q2S185WV |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Mus musculus) | BDBM50519598
(CHEMBL4436406)Show SMILES C[C@H]1Oc2cc(Cc3c(CN(C)C(=O)c4ccc(F)cc14)nn(C)c3C#N)cnc2N |r| Show InChI InChI=1S/C22H21FN6O2/c1-12-16-8-14(23)4-5-15(16)22(30)28(2)11-18-17(19(9-24)29(3)27-18)6-13-7-20(31-12)21(25)26-10-13/h4-5,7-8,10,12H,6,11H2,1-3H3,(H2,25,26)/t12-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description Inhibition of ALK in mouse NIH-3T3 cells |
J Med Chem 62: 10927-10954 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00446 BindingDB Entry DOI: 10.7270/Q2S185WV |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50519598
(CHEMBL4436406)Show SMILES C[C@H]1Oc2cc(Cc3c(CN(C)C(=O)c4ccc(F)cc14)nn(C)c3C#N)cnc2N |r| Show InChI InChI=1S/C22H21FN6O2/c1-12-16-8-14(23)4-5-15(16)22(30)28(2)11-18-17(19(9-24)29(3)27-18)6-13-7-20(31-12)21(25)26-10-13/h4-5,7-8,10,12H,6,11H2,1-3H3,(H2,25,26)/t12-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description Inhibition of ALK L1196M mutant in mouse NIH-3T3 cells |
J Med Chem 62: 10927-10954 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00446 BindingDB Entry DOI: 10.7270/Q2S185WV |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50519598
(CHEMBL4436406)Show SMILES C[C@H]1Oc2cc(Cc3c(CN(C)C(=O)c4ccc(F)cc14)nn(C)c3C#N)cnc2N |r| Show InChI InChI=1S/C22H21FN6O2/c1-12-16-8-14(23)4-5-15(16)22(30)28(2)11-18-17(19(9-24)29(3)27-18)6-13-7-20(31-12)21(25)26-10-13/h4-5,7-8,10,12H,6,11H2,1-3H3,(H2,25,26)/t12-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
Zhejiang University
Curated by ChEMBL
| Assay Description Inhibition of ALK G1202R (unknown origin) |
J Med Chem 62: 10927-10954 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00446 BindingDB Entry DOI: 10.7270/Q2S185WV |
More data for this Ligand-Target Pair | |