BindingDB PrimarySearch_ki

Search and Browse
- Target
- Compound
- Special tools
- Citation
- Special Data Sets
- Other Databases
  - PDB 85% 100% Seq ID
  - UniProtKB/Swiss-Prot
  - UniProtKB/TrEMBL
  - PubMed
Download
- All Compounds & Data
- Target Names &
  - Ki IC50 Kd EC50
  - ΔG° ΔH° -TΔS°
Enter Data

BDBM50385952 CHEMBL2042308

SMILES: CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(NCCc3ccc(NC(=O)c4cc(cc(c4)C(C)(C)C)C(C)(C)C)cc3)nc12

InChI Key: InChIKey=AGLLTBWZMRXXOV-UHFFFAOYSA-N

Data: 2 IC50 2 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50385952
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Adenosine receptor A2b (Human)	BDBM50385952 (CHEMBL2042308) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	2.28E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Adenosine receptor A1 (Human)	BDBM50385952 (CHEMBL2042308) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Adenosine receptor A3 (Human)	BDBM50385952 (CHEMBL2042308) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Adenosine receptor A2a (Human)	BDBM50385952 (CHEMBL2042308) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	366	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair