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

BDBM50321746 2-(benzylthio)-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile::CHEMBL1171912

SMILES: N#Cc1c(SCc2ccccc2)nc2CCCCc2c1-c1cccs1

InChI Key: InChIKey=CKRPTIHHOUSNTN-UHFFFAOYSA-N

Data: 3 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50321746
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
ALK tyrosine kinase receptor (Human)	BDBM50321746 (2-(benzylthio)-4-(thiophen-2-yl)-5,6,7,8-tetrahydr...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.10E+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
Proto-oncogene tyrosine-protein kinase receptor Ret (Human)	BDBM50321746 (2-(benzylthio)-4-(thiophen-2-yl)-5,6,7,8-tetrahydr...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.60E+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
Tyrosine-protein kinase ABL1 (Human)	BDBM50321746 (2-(benzylthio)-4-(thiophen-2-yl)-5,6,7,8-tetrahydr...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	7.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair