BDBM50326719 (S)-2-amino-N-((1S,2S,4R)-7,7-dimethyl-1-((4-o-tolylpiperazin-1-ylsulfonyl)methyl)bicyclo[2.2.1]heptan-2-yl)-4-(methylsulfonyl)butanamide::CHEMBL1253853

SMILES: Cc1ccccc1N1CCN(CC1)S(=O)(=O)C[C@]12CC[C@H](C[C@@H]1NC(=O)[C@@H](N)CCS(C)(=O)=O)C2(C)C

InChI Key: InChIKey=MWIASLNTAGRGGA-UHFFFAOYSA-N

Data: 8 KI  4 IC50

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 12 hits for monomerid = 50326719   

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
Oxytocin receptor (Rat)	BDBM50326719 ((S)-2-amino-N-((1S,2S,4R)-7,7-dimethyl-1-((4-o-tol...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Rat)	BDBM50326719 ((S)-2-amino-N-((1S,2S,4R)-7,7-dimethyl-1-((4-o-tol...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Rat)	BDBM50326719 ((S)-2-amino-N-((1S,2S,4R)-7,7-dimethyl-1-((4-o-tol...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Oxytocin receptor (Rat)	BDBM50326719 ((S)-2-amino-N-((1S,2S,4R)-7,7-dimethyl-1-((4-o-tol...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Oxytocin receptor (Rat)	BDBM50326719 ((S)-2-amino-N-((1S,2S,4R)-7,7-dimethyl-1-((4-o-tol...) Show SMILES Show InChI	GoogleScholar	UniChem		3.60	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
Oxytocin receptor (Human)	BDBM50326719 ((S)-2-amino-N-((1S,2S,4R)-7,7-dimethyl-1-((4-o-tol...) Show SMILES Show InChI	GoogleScholar	UniChem		8	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
Oxytocin receptor (Human)	BDBM50326719 ((S)-2-amino-N-((1S,2S,4R)-7,7-dimethyl-1-((4-o-tol...) Show SMILES Show InChI	GoogleScholar	UniChem		13	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
Oxytocin receptor (Human)	BDBM50326719 ((S)-2-amino-N-((1S,2S,4R)-7,7-dimethyl-1-((4-o-tol...) Show SMILES Show InChI	GoogleScholar	UniChem		13	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
Vasopressin V1a receptor (Rat)	BDBM50326719 ((S)-2-amino-N-((1S,2S,4R)-7,7-dimethyl-1-((4-o-tol...) Show SMILES Show InChI	GoogleScholar	UniChem		110	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
Vasopressin V1a receptor (Human)	BDBM50326719 ((S)-2-amino-N-((1S,2S,4R)-7,7-dimethyl-1-((4-o-tol...) Show SMILES Show InChI	GoogleScholar	UniChem		180	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
Vasopressin V2 receptor (Rat)	BDBM50326719 ((S)-2-amino-N-((1S,2S,4R)-7,7-dimethyl-1-((4-o-tol...) Show SMILES Show InChI	GoogleScholar	UniChem		200	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
Vasopressin V2 receptor (Human)	BDBM50326719 ((S)-2-amino-N-((1S,2S,4R)-7,7-dimethyl-1-((4-o-tol...) Show SMILES Show InChI	GoogleScholar	UniChem		590	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