BDBM17941 (2S,4S,5S)-5-[(2S)-2-[(2S)-2-benzyl-3-[(2-methylpropane-2-)sulfonyl]propanamido]-3-(1H-imidazol-4-yl)propanamido]-N-butyl-6-cyclohexyl-4-hydroxy-2-(propan-2-yl)hexanamide::CGP 38560

SMILES: CCCCNC(=O)C(CC(C(CC1CCCCC1)NC(=O)C(Cc2cnc[nH]2)NC(=O)C(Cc3ccccc3)CS(=O)(=O)C(C)(C)C)O)C(C)C

InChI Key: InChIKey=GGKXIITZBSPCQP-UHFFFAOYSA-N

Data: 1 KI  8 IC50

PDB links: 1 PDB ID matches this monomer.

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 9 hits for monomerid = 17941   

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)	BDBM17941 ((2S,4S,5S)-5-[(2S)-2-[(2S)-2-benzyl-3-[(2-methylpr...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1	n/a	n/a	n/a	n/a	7.2	37
TBA									Citation and Details
					More data for this Ligand-Target Pair
Pepsin A (Pig)	BDBM17941 ((2S,4S,5S)-5-[(2S)-2-[(2S)-2-benzyl-3-[(2-methylpr...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8.20E+3	n/a	n/a	n/a	n/a	2.0	37
TBA									Citation and Details
					More data for this Ligand-Target Pair
Renin (Human)	BDBM17941 ((2S,4S,5S)-5-[(2S)-2-[(2S)-2-benzyl-3-[(2-methylpr...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.830	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cathepsin D (Bovine)	BDBM17941 ((2S,4S,5S)-5-[(2S)-2-[(2S)-2-benzyl-3-[(2-methylpr...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Pepsin A (Pig)	BDBM17941 ((2S,4S,5S)-5-[(2S)-2-[(2S)-2-benzyl-3-[(2-methylpr...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.27E+4	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)	BDBM17941 ((2S,4S,5S)-5-[(2S)-2-[(2S)-2-benzyl-3-[(2-methylpr...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	0.830	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cathepsin D (Bovine)	BDBM17941 ((2S,4S,5S)-5-[(2S)-2-[(2S)-2-benzyl-3-[(2-methylpr...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.38E+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)	BDBM17941 ((2S,4S,5S)-5-[(2S)-2-[(2S)-2-benzyl-3-[(2-methylpr...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.60	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)	BDBM17941 ((2S,4S,5S)-5-[(2S)-2-[(2S)-2-benzyl-3-[(2-methylpr...) Show SMILES Show InChI	GoogleScholar	UniChem		0.700	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