BDBM50240850 (2-Isothiocyanato-ethyl)-benzene::CHEMBL151649::Phenethyl isothiocyanate::phenethylisothiocyanate::phenylethyl isothiocyanate

SMILES: S=C=NCCc1ccccc1

InChI Key: InChIKey=IZJDOKYDEWTZSO-UHFFFAOYSA-N

Data: 4 KI  4 IC50  2 Kd  3 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50240850   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Replicase polyprotein 1ab (2019-nCoV)	BDBM50240850 (phenethylisothiocyanate | Phenethyl isothiocyanate...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha (Human)	BDBM50240850 (phenethylisothiocyanate | Phenethyl isothiocyanate...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Human)	BDBM50240850 (phenethylisothiocyanate | Phenethyl isothiocyanate...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Human)	BDBM50240850 (phenethylisothiocyanate | Phenethyl isothiocyanate...) 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
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (Human)	BDBM50240850 (phenethylisothiocyanate | Phenethyl isothiocyanate...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Human)	BDBM50240850 (phenethylisothiocyanate | Phenethyl isothiocyanate...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	370	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Human)	BDBM50240850 (phenethylisothiocyanate | Phenethyl isothiocyanate...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.80E+5	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Human)	BDBM50240850 (phenethylisothiocyanate | Phenethyl isothiocyanate...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2A13 (Human)	BDBM50240850 (phenethylisothiocyanate | Phenethyl isothiocyanate...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2A6 (Human)	BDBM50240850 (phenethylisothiocyanate | Phenethyl isothiocyanate...) Show SMILES Show InChI	GoogleScholar	UniChem		1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2A13 (Human)	BDBM50240850 (phenethylisothiocyanate | Phenethyl isothiocyanate...) Show SMILES Show InChI	GoogleScholar	UniChem		3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2E1 (Human)	BDBM50240850 (phenethylisothiocyanate | Phenethyl isothiocyanate...) Show SMILES Show InChI	GoogleScholar	UniChem		9.98E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2E1 (Human)	BDBM50240850 (phenethylisothiocyanate | Phenethyl isothiocyanate...) Show SMILES Show InChI	GoogleScholar	UniChem		1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair