BDBM50131176 CHEMBL3634539
SMILES: Nc1n[nH]c2cccc(-c3ccc(cc3)C(=O)NCCNC(=O)c3ccccc3Br)c12
InChI Key: InChIKey=OKHCJZLKVVFPLZ-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50131176 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 |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50131176
![PNG](/data/jpeg/tenK5013/BindingDB_50131176.png) (CHEMBL3634539)Show SMILES Nc1n[nH]c2cccc(-c3ccc(cc3)C(=O)NCCNC(=O)c3ccccc3Br)c12 Show InChI InChI=1S/C23H20BrN5O2/c24-18-6-2-1-4-17(18)23(31)27-13-12-26-22(30)15-10-8-14(9-11-15)16-5-3-7-19-20(16)21(25)29-28-19/h1-11H,12-13H2,(H,26,30)(H,27,31)(H3,25,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
First Affiliated Hospital of Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description Inhibition constant against Adenosine A2a receptor |
Eur J Med Chem 104: 139-47 (2015)
BindingDB Entry DOI: 10.7270/Q23B61Z7 |
More data for this Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50131176
![PNG](/data/jpeg/tenK5013/BindingDB_50131176.png) (CHEMBL3634539)Show SMILES Nc1n[nH]c2cccc(-c3ccc(cc3)C(=O)NCCNC(=O)c3ccccc3Br)c12 Show InChI InChI=1S/C23H20BrN5O2/c24-18-6-2-1-4-17(18)23(31)27-13-12-26-22(30)15-10-8-14(9-11-15)16-5-3-7-19-20(16)21(25)29-28-19/h1-11H,12-13H2,(H,26,30)(H,27,31)(H3,25,28,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 1.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
First Affiliated Hospital of Xi'an Jiaotong University
Curated by ChEMBL
| Assay Description Inhibitory concentration against interleukin-2 binding |
Eur J Med Chem 104: 139-47 (2015)
BindingDB Entry DOI: 10.7270/Q23B61Z7 |
More data for this Ligand-Target Pair | |