BDBM18036 5-(4-{[(3,5-difluorophenyl)methyl]amino}phenyl)-6-ethylpyrimidine-2,4-diamine::diaminopyrimidine renin inhibitor compound, 1

SMILES: CCc1nc(N)nc(N)c1-c1ccc(NCc2cc(F)cc(F)c2)cc1

InChI Key: InChIKey=SRRWXMSVQYQCRX-UHFFFAOYSA-N

Data: 4 IC50  1 ITC

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 4 hits for monomerid = 18036   

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
Renin (Human)	BDBM18036 (5-(4-{[(3,5-difluorophenyl)methyl]amino}phenyl)-6-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6.56E+3	n/a	n/a	n/a	n/a	7.4	22
TBA									Citation and Details
					More data for this Ligand-Target Pair
Renin (Human)	BDBM18036 (5-(4-{[(3,5-difluorophenyl)methyl]amino}phenyl)-6-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Renin (Human)	BDBM18036 (5-(4-{[(3,5-difluorophenyl)methyl]amino}phenyl)-6-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Renin (Human)	BDBM18036 (5-(4-{[(3,5-difluorophenyl)methyl]amino}phenyl)-6-...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 18036

Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
BDBM18036 (5-(4-{[(3,5-difluorophenyl)methyl]amino}phenyl)-6-...)	Renin (Human)		GoogleScholar		-7.49	2.00	-9.48	5.45	7	28
	TBA				Details of this binding reaction